smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCN(CCOC)C(=O)Cc1csc(C[NH3+])n1 ZINC000719018676 952206580 /nfs/dbraw/zinc/20/65/80/952206580.db2.gz FKRAHEGBYKUKQQ-UHFFFAOYSA-N 1 0 301.412 0.656 10 0 DCAERO CC[NH2+]CC1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910948 185348691 /nfs/dbraw/zinc/34/86/91/185348691.db2.gz CUTKKMCFAMZXKB-UHFFFAOYSA-N 1 0 300.428 0.913 10 0 DCAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(N2CCCC2=O)c1 ZINC000181436615 199296814 /nfs/dbraw/zinc/29/68/14/199296814.db2.gz GHCVBWFDDJCQSY-JTQLQIEISA-N 1 0 304.350 0.659 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181423308 199294429 /nfs/dbraw/zinc/29/44/29/199294429.db2.gz DETLBFMBHSETQG-LBPRGKRZSA-N 1 0 324.429 0.415 10 0 DCAERO Cn1nccc1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299746355 529816485 /nfs/dbraw/zinc/81/64/85/529816485.db2.gz WUSVCOVSEVFHBB-GHMZBOCLSA-N 1 0 304.316 0.819 10 0 DCAERO C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C1=CC[N@H+](C)CC1 ZINC000272765682 210170400 /nfs/dbraw/zinc/17/04/00/210170400.db2.gz PLLOUDNUHNLMJL-AAEUAGOBSA-N 1 0 304.398 0.543 10 0 DCAERO C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1=CC[N@H+](C)CC1 ZINC000272765686 210170455 /nfs/dbraw/zinc/17/04/55/210170455.db2.gz PLLOUDNUHNLMJL-WCQYABFASA-N 1 0 304.398 0.543 10 0 DCAERO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc2c(cc1OC)OCO2 ZINC000067805015 190723525 /nfs/dbraw/zinc/72/35/25/190723525.db2.gz STCXESUTOSVNMO-RYUDHWBXSA-N 1 0 321.377 0.462 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000279817749 215171747 /nfs/dbraw/zinc/17/17/47/215171747.db2.gz XXZJODSQPXURIG-AWEZNQCLSA-N 1 0 323.418 0.577 10 0 DCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000071330398 190958837 /nfs/dbraw/zinc/95/88/37/190958837.db2.gz COBCEWLMQUAALO-SECBINFHSA-N 1 0 305.425 0.507 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H]1c1cccnc1 ZINC000237059717 282640817 /nfs/dbraw/zinc/64/08/17/282640817.db2.gz HZIWQEWUUDKGDJ-GUTXKFCHSA-N 1 0 302.378 0.455 10 0 DCAERO COCc1nc2ncc3c(ccn(CCC[NH+](C)C)c3=O)n2n1 ZINC000072465729 191174263 /nfs/dbraw/zinc/17/42/63/191174263.db2.gz YMDSHDWZMBPPLP-UHFFFAOYSA-N 1 0 316.365 0.537 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 ZINC000173792565 198252026 /nfs/dbraw/zinc/25/20/26/198252026.db2.gz YXASRAFCOVUOSG-AWEZNQCLSA-N 1 0 323.368 0.231 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000182098652 199386460 /nfs/dbraw/zinc/38/64/60/199386460.db2.gz IYJHDTGCJWHHAN-UWVGGRQHSA-N 1 0 309.332 0.900 10 0 DCAERO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCCOC1 ZINC000073451631 191318631 /nfs/dbraw/zinc/31/86/31/191318631.db2.gz JQMLJDDPZNWJMM-OAHLLOKOSA-N 1 0 318.421 0.889 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000236955952 202093088 /nfs/dbraw/zinc/09/30/88/202093088.db2.gz JLBYQOVUHFCIPP-CHWSQXEVSA-N 1 0 312.341 0.990 10 0 DCAERO CNC(=O)c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181138147 199255620 /nfs/dbraw/zinc/25/56/20/199255620.db2.gz DMDPJEWPVWPHMD-AWEZNQCLSA-N 1 0 320.393 0.841 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCCn1ccnc1 ZINC000181078346 199250292 /nfs/dbraw/zinc/25/02/92/199250292.db2.gz ASUJYXGQTDEBGJ-ZDUSSCGKSA-N 1 0 321.425 0.331 10 0 DCAERO CC1(C)CC[C@@H](CNC(=O)NCC2CC[NH+](CCO)CC2)O1 ZINC000187067881 200055462 /nfs/dbraw/zinc/05/54/62/200055462.db2.gz SIWMOCJXFOYWGB-AWEZNQCLSA-N 1 0 313.442 0.948 10 0 DCAERO C[C@H]1C[C@H](NC(=O)NCc2cc(C(N)=O)co2)C[N@@H+]1C1CC1 ZINC000187489475 237348632 /nfs/dbraw/zinc/34/86/32/237348632.db2.gz HPAITEYHWKLMHZ-ONGXEEELSA-N 1 0 306.366 0.803 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c(C)o1 ZINC000188730321 237376211 /nfs/dbraw/zinc/37/62/11/237376211.db2.gz ZWFMLZVWHGFGFZ-SNVBAGLBSA-N 1 0 302.396 0.584 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000189139345 237390631 /nfs/dbraw/zinc/39/06/31/237390631.db2.gz XRYVCDQYPGHRPT-CHWSQXEVSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1CC(C)(C)O ZINC000188640799 200280096 /nfs/dbraw/zinc/28/00/96/200280096.db2.gz NPSGQRAXWNNHNB-NSHDSACASA-N 1 0 322.409 0.041 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153689147 291208242 /nfs/dbraw/zinc/20/82/42/291208242.db2.gz MVUPBLVZMHLKBV-LBPRGKRZSA-N 1 0 307.398 0.690 10 0 DCAERO CN(CC(=O)NC(C)(C)C)C[C@H](O)COC1CCOCC1 ZINC000154202710 291211811 /nfs/dbraw/zinc/21/18/11/291211811.db2.gz VHLKZNKKYAIUPW-LBPRGKRZSA-N 1 0 302.415 0.389 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCOCCOC ZINC000155356745 291219155 /nfs/dbraw/zinc/21/91/55/291219155.db2.gz MAXYMFGBICFINI-CYBMUJFWSA-N 1 0 308.444 0.395 10 0 DCAERO CO[C@@H]1CC[C@H]2OCCN(Cc3cc(=O)n4[n-]ccc4n3)[C@@H]2C1 ZINC000158325847 291231042 /nfs/dbraw/zinc/23/10/42/291231042.db2.gz OSXPNBJVXCFGAE-MGPQQGTHSA-N 1 0 318.377 0.791 10 0 DCAERO COCCN1C[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000159077666 291233532 /nfs/dbraw/zinc/23/35/32/291233532.db2.gz LZUNBIPKXPUMEJ-MJBXVCDLSA-N 1 0 311.426 0.326 10 0 DCAERO COCC[N@H+](C)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162721127 291244505 /nfs/dbraw/zinc/24/45/05/291244505.db2.gz WPEOCSAPEIGZIS-ZDUSSCGKSA-N 1 0 310.394 0.641 10 0 DCAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC2(CO)COC2)n1C ZINC000328643594 291259969 /nfs/dbraw/zinc/25/99/69/291259969.db2.gz RMIJTCZOGHMJMY-CQSZACIVSA-N 1 0 321.421 0.921 10 0 DCAERO COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543583 193071173 /nfs/dbraw/zinc/07/11/73/193071173.db2.gz AGVUMWRAWKSHMF-DTWKUNHWSA-N 1 0 313.379 0.409 10 0 DCAERO C[NH+](C)C1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCCCC1 ZINC000457432732 241005883 /nfs/dbraw/zinc/00/58/83/241005883.db2.gz JPWPBCLOMNBWAL-CYBMUJFWSA-N 1 0 324.429 0.203 10 0 DCAERO O=C(CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCCCC1 ZINC000567779475 291376963 /nfs/dbraw/zinc/37/69/63/291376963.db2.gz ZNTXACMGTCRIRW-CQSZACIVSA-N 1 0 319.409 0.550 10 0 DCAERO COC(=O)[C@@H]1CCC[N@@H+](CCN2CCC[C@H](C(=O)OC)C2)C1 ZINC000114718255 284008842 /nfs/dbraw/zinc/00/88/42/284008842.db2.gz KXGVNRRTXLKUFP-OKILXGFUSA-N 1 0 312.410 0.756 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000094000377 193338009 /nfs/dbraw/zinc/33/80/09/193338009.db2.gz KWJVKCBAWPBOSB-VHSXEESVSA-N 1 0 316.365 0.041 10 0 DCAERO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(NN)nc1 ZINC000020022848 182179558 /nfs/dbraw/zinc/17/95/58/182179558.db2.gz FXSRAOURZCTZTO-UHFFFAOYSA-N 1 0 301.416 0.233 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000133772198 284588104 /nfs/dbraw/zinc/58/81/04/284588104.db2.gz KFQGMFFEUXOIHP-CQSZACIVSA-N 1 0 312.391 0.879 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000041106294 183166187 /nfs/dbraw/zinc/16/61/87/183166187.db2.gz HARFYPIZCLKVPU-CQSZACIVSA-N 1 0 324.469 0.339 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000104799972 194042202 /nfs/dbraw/zinc/04/22/02/194042202.db2.gz PZSDQDNTJFIIRR-HOTGVXAUSA-N 1 0 320.437 0.919 10 0 DCAERO CC(=O)N1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000105785260 194125207 /nfs/dbraw/zinc/12/52/07/194125207.db2.gz GIAJZGYWMDBCGA-CYBMUJFWSA-N 1 0 305.382 0.106 10 0 DCAERO CC[C@H]1CN(CC(=O)NCc2ccco2)CC[N@@H+]1CCOC ZINC000105836001 194141343 /nfs/dbraw/zinc/14/13/43/194141343.db2.gz IESNOIITKMJXCX-AWEZNQCLSA-N 1 0 309.410 0.938 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCN1CCOCC1 ZINC000105125016 284758676 /nfs/dbraw/zinc/75/86/76/284758676.db2.gz UDYWWXRZMJJDDY-AWEZNQCLSA-N 1 0 300.447 0.690 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC000176966704 284777253 /nfs/dbraw/zinc/77/72/53/284777253.db2.gz VUOYUUZIAIRJDG-GFCCVEGCSA-N 1 0 305.444 0.211 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)n(C)n1 ZINC000333677050 252751471 /nfs/dbraw/zinc/75/14/71/252751471.db2.gz ZBZZZTKKXDQEAX-OLZOCXBDSA-N 1 0 306.414 0.358 10 0 DCAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333870798 252771258 /nfs/dbraw/zinc/77/12/58/252771258.db2.gz UPAXRCAZSOLMMJ-RDBSUJKOSA-N 1 0 306.414 0.970 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC000329893636 285273220 /nfs/dbraw/zinc/27/32/20/285273220.db2.gz JPEKKUMGKUYLIP-SOUVJXGZSA-N 1 0 311.426 0.565 10 0 DCAERO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccnnc3)CC[C@@H]2[N@@H+]1C ZINC000248006094 257111801 /nfs/dbraw/zinc/11/18/01/257111801.db2.gz OKZKGLPPWLMYGF-ILXRZTDVSA-N 1 0 303.410 0.573 10 0 DCAERO COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccncc2)O1 ZINC000247847069 257116690 /nfs/dbraw/zinc/11/66/90/257116690.db2.gz NIKQFGHIJSOZTD-JYJNAYRXSA-N 1 0 319.405 0.966 10 0 DCAERO O=S(=O)(C1CC1)N1CCO[C@H]2C[N@H+](CC3CC3)C[C@H]2C1 ZINC000247344059 257120294 /nfs/dbraw/zinc/12/02/94/257120294.db2.gz TZOVGVYBLZEWKO-JSGCOSHPSA-N 1 0 300.424 0.521 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000120041675 132139430 /nfs/dbraw/zinc/13/94/30/132139430.db2.gz FTQBGYSAHWFZQF-UHFFFAOYSA-N 1 0 324.425 0.553 10 0 DCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000094635388 395740307 /nfs/dbraw/zinc/74/03/07/395740307.db2.gz REQOUNHUVUOETQ-IFWUJCSASA-N 1 0 302.440 0.976 10 0 DCAERO O=C(NCCCN1CCCC1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000097393912 395757685 /nfs/dbraw/zinc/75/76/85/395757685.db2.gz VNMSZPDEHFXQCH-ZDUSSCGKSA-N 1 0 308.426 0.782 10 0 DCAERO COc1ccccc1CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193606015 395773615 /nfs/dbraw/zinc/77/36/15/395773615.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 1 0 303.406 0.805 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193738204 395778294 /nfs/dbraw/zinc/77/82/94/395778294.db2.gz BNEVWWRRCCQSRJ-UHFFFAOYSA-N 1 0 306.366 0.581 10 0 DCAERO Cn1nc2c(c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)CCC2 ZINC000270508914 395778387 /nfs/dbraw/zinc/77/83/87/395778387.db2.gz CHXJJVSOXFLIKJ-SNVBAGLBSA-N 1 0 305.382 0.010 10 0 DCAERO O=C([C@H]1CNC(=O)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000194862403 395810220 /nfs/dbraw/zinc/81/02/20/395810220.db2.gz ROIFIKOUFJRLPD-OAHLLOKOSA-N 1 0 301.390 0.857 10 0 DCAERO O=C(c1ccc(-n2cnnn2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195086826 395815976 /nfs/dbraw/zinc/81/59/76/395815976.db2.gz DVTMLCOREZLQQX-OAHLLOKOSA-N 1 0 312.377 0.973 10 0 DCAERO O=C(CSc1nnnn1C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327526 395824526 /nfs/dbraw/zinc/82/45/26/395824526.db2.gz CTFHDGDGHHUQSE-LLVKDONJSA-N 1 0 308.411 0.407 10 0 DCAERO C[NH+](C)Cc1cc(CNC(=O)NCC(=O)NC2CC2)ccc1F ZINC000115694716 395840744 /nfs/dbraw/zinc/84/07/44/395840744.db2.gz OYSIGKWQDYGIRA-UHFFFAOYSA-N 1 0 322.384 0.965 10 0 DCAERO COC(=O)[C@@H]1CCN(C(=O)OC)[C@H](CN2CCOCC2)C1 ZINC000115751782 395841353 /nfs/dbraw/zinc/84/13/53/395841353.db2.gz XZORBTZSAQESOC-NEPJUHHUSA-N 1 0 300.355 0.339 10 0 DCAERO Cn1cc(CN2CCCN(C(=O)NCC3(C)COC3)CC2)cn1 ZINC000115828490 395841695 /nfs/dbraw/zinc/84/16/95/395841695.db2.gz ABLWQFFGQOPMJL-UHFFFAOYSA-N 1 0 321.425 0.674 10 0 DCAERO Cn1cc([C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116313931 395843351 /nfs/dbraw/zinc/84/33/51/395843351.db2.gz QURMZFTZANJNAV-NSHDSACASA-N 1 0 305.382 0.540 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000116400106 395844053 /nfs/dbraw/zinc/84/40/53/395844053.db2.gz BEPWBUZKHFYERW-MRXNPFEDSA-N 1 0 308.470 0.711 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCO1 ZINC000116783371 395845320 /nfs/dbraw/zinc/84/53/20/395845320.db2.gz OJYZOWYLDLLTSG-ZDUSSCGKSA-N 1 0 319.405 0.656 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 ZINC000116788125 395845617 /nfs/dbraw/zinc/84/56/17/395845617.db2.gz GUYAAWZNKIPJKY-ZDUSSCGKSA-N 1 0 306.362 0.860 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000194633915 395802344 /nfs/dbraw/zinc/80/23/44/395802344.db2.gz PMHGTWGGCQTQAK-BLLLJJGKSA-N 1 0 322.409 0.307 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000234360575 395888256 /nfs/dbraw/zinc/88/82/56/395888256.db2.gz RIVGHVUQGHKWTH-PWSUYJOCSA-N 1 0 311.407 0.465 10 0 DCAERO CC1(C)CN(C(=O)C[C@H]2CSCC[NH2+]2)CCS1(=O)=O ZINC000236635661 395895031 /nfs/dbraw/zinc/89/50/31/395895031.db2.gz UOFMFOMWWBQEBG-JTQLQIEISA-N 1 0 306.453 0.117 10 0 DCAERO NS(=O)(=O)c1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307504 395896844 /nfs/dbraw/zinc/89/68/44/395896844.db2.gz PETCDKNBJSUDLD-GFCCVEGCSA-N 1 0 311.407 0.340 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000124820015 395901393 /nfs/dbraw/zinc/90/13/93/395901393.db2.gz ISEDDNBSWNQDBS-CYBMUJFWSA-N 1 0 315.439 0.107 10 0 DCAERO CN1C(=O)N(CC(=O)N2CC[NH2+]CC2)C(=O)C12CCCCC2 ZINC000237102828 395902758 /nfs/dbraw/zinc/90/27/58/395902758.db2.gz OFDMIYPHKQFAJF-UHFFFAOYSA-N 1 0 308.382 0.015 10 0 DCAERO CN1C(=O)N(CC(=O)N2CCC[C@@H]2C[NH3+])C(=O)C12CCCCC2 ZINC000237102723 395903109 /nfs/dbraw/zinc/90/31/09/395903109.db2.gz XPLJMUCPLCTNQD-GFCCVEGCSA-N 1 0 322.409 0.533 10 0 DCAERO COCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000237295665 395909678 /nfs/dbraw/zinc/90/96/78/395909678.db2.gz IZEHKXCMFYLHTO-AWEZNQCLSA-N 1 0 311.426 0.520 10 0 DCAERO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCS1(=O)=O ZINC000126726312 395913233 /nfs/dbraw/zinc/91/32/33/395913233.db2.gz FRZNHKHFVXXWDC-NWDGAFQWSA-N 1 0 315.439 0.299 10 0 DCAERO CNC(=O)C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000052329363 395862459 /nfs/dbraw/zinc/86/24/59/395862459.db2.gz ARJWDGJNXKFFQV-HUUCEWRRSA-N 1 0 323.437 0.614 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000118857894 395865840 /nfs/dbraw/zinc/86/58/40/395865840.db2.gz RMONEPSCHZOLBT-INIZCTEOSA-N 1 0 323.412 0.830 10 0 DCAERO Cn1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000119562336 395872472 /nfs/dbraw/zinc/87/24/72/395872472.db2.gz VYYMFBPMQGFINJ-ZDUSSCGKSA-N 1 0 315.377 0.778 10 0 DCAERO NC(=O)CC1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000052941483 395873542 /nfs/dbraw/zinc/87/35/42/395873542.db2.gz RMQCALGSLLCAGX-LSDHHAIUSA-N 1 0 323.437 0.744 10 0 DCAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000230850835 395882262 /nfs/dbraw/zinc/88/22/62/395882262.db2.gz SBPHVRDHMFIMFK-MRVPVSSYSA-N 1 0 306.819 0.821 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000230865169 395882523 /nfs/dbraw/zinc/88/25/23/395882523.db2.gz CCMBAPPFWLKRFB-SNVBAGLBSA-N 1 0 306.819 0.869 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1N1CCOCC1 ZINC000245692151 395934143 /nfs/dbraw/zinc/93/41/43/395934143.db2.gz BQKQYJCIGBSXFC-CZUORRHYSA-N 1 0 320.437 0.869 10 0 DCAERO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1=COCCO1 ZINC000245986430 395939374 /nfs/dbraw/zinc/93/93/74/395939374.db2.gz WFYSHGZHHTXAKF-LSDHHAIUSA-N 1 0 318.373 0.626 10 0 DCAERO CCN1CCO[C@@H](C(=O)NC[C@@H](O)c2ccccc2OC)C1 ZINC000246215863 395944656 /nfs/dbraw/zinc/94/46/56/395944656.db2.gz GLKGEWFVGPUECB-UKRRQHHQSA-N 1 0 308.378 0.566 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246304380 395946476 /nfs/dbraw/zinc/94/64/76/395946476.db2.gz DIDPZTCMUCUHBU-UTUOFQBUSA-N 1 0 304.412 0.294 10 0 DCAERO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000246328997 395946907 /nfs/dbraw/zinc/94/69/07/395946907.db2.gz GBVPRZGNKVBEHT-RYUDHWBXSA-N 1 0 322.413 0.133 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000246570528 395952946 /nfs/dbraw/zinc/95/29/46/395952946.db2.gz RTFOENNDOQNWRH-VOAKCMCISA-N 1 0 312.414 0.047 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCCOc1ccccc1 ZINC000246991622 395962675 /nfs/dbraw/zinc/96/26/75/395962675.db2.gz BAOHYDWGABIMBD-HNNXBMFYSA-N 1 0 303.406 0.962 10 0 DCAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN2CCOCC2)C1(C)C ZINC000246969078 395962801 /nfs/dbraw/zinc/96/28/01/395962801.db2.gz GONTVNOOPCANSW-RBSFLKMASA-N 1 0 300.443 0.815 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247014094 395963478 /nfs/dbraw/zinc/96/34/78/395963478.db2.gz CGWVOAACHRRNGQ-HUUCEWRRSA-N 1 0 323.441 0.921 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247159090 395967518 /nfs/dbraw/zinc/96/75/18/395967518.db2.gz XXWIBCRESVKRAE-KBPBESRZSA-N 1 0 324.469 0.386 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(F)cc2)C[C@@H]1C ZINC000247223835 395970056 /nfs/dbraw/zinc/97/00/56/395970056.db2.gz QSCSMQFDKRXWCG-KBPBESRZSA-N 1 0 323.412 0.829 10 0 DCAERO COc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000150790451 395972589 /nfs/dbraw/zinc/97/25/89/395972589.db2.gz NMTQQJRYXYNAJF-AAEUAGOBSA-N 1 0 320.393 0.874 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000247503526 395974702 /nfs/dbraw/zinc/97/47/02/395974702.db2.gz VGKZIRDAWJDMTG-OCCSQVGLSA-N 1 0 312.377 0.971 10 0 DCAERO CC[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247501544 395975332 /nfs/dbraw/zinc/97/53/32/395975332.db2.gz LSUMUIWUJRPUKX-GXTWGEPZSA-N 1 0 322.409 0.694 10 0 DCAERO C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247542416 395975763 /nfs/dbraw/zinc/97/57/63/395975763.db2.gz RAELONGNDZZVIF-GUTXKFCHSA-N 1 0 306.410 0.972 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C ZINC000247559622 395976785 /nfs/dbraw/zinc/97/67/85/395976785.db2.gz QQJSSUWPMVUYIT-RYUDHWBXSA-N 1 0 308.382 0.304 10 0 DCAERO C[N@@H+]1CC[C@@H](NC(=O)NCC2(CO)COC2)[C@H]1c1ccccc1 ZINC000247965323 395979950 /nfs/dbraw/zinc/97/99/50/395979950.db2.gz DMYBZADKRVMYOM-HUUCEWRRSA-N 1 0 319.405 0.740 10 0 DCAERO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248336835 395984502 /nfs/dbraw/zinc/98/45/02/395984502.db2.gz HEBILKFUGVTKMV-RYUDHWBXSA-N 1 0 305.430 0.751 10 0 DCAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NC(N)=O ZINC000248390096 395985338 /nfs/dbraw/zinc/98/53/38/395985338.db2.gz BOYAWXGYBOKLPQ-VIKVFOODSA-N 1 0 318.421 0.928 10 0 DCAERO COC(=O)C(C)(C)C[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000151821260 395994145 /nfs/dbraw/zinc/99/41/45/395994145.db2.gz XCUIMEFSLNDAQL-NSHDSACASA-N 1 0 308.382 0.623 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000248691856 395994670 /nfs/dbraw/zinc/99/46/70/395994670.db2.gz YBBYANNKSHOWFM-DJLDLDEBSA-N 1 0 304.803 0.431 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000248691859 395994843 /nfs/dbraw/zinc/99/48/43/395994843.db2.gz YBBYANNKSHOWFM-XHNCKOQMSA-N 1 0 304.803 0.431 10 0 DCAERO CN1CCO[C@H](C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000248723173 395995488 /nfs/dbraw/zinc/99/54/88/395995488.db2.gz JBYSCQQDKXZXCZ-ZIAGYGMSSA-N 1 0 311.813 0.657 10 0 DCAERO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cnn2cc[nH]c12 ZINC000067769665 396033212 /nfs/dbraw/zinc/03/32/12/396033212.db2.gz MBKUHSPSRKPZSN-JQWIXIFHSA-N 1 0 318.381 0.073 10 0 DCAERO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnn2c1nc(C)cc2C ZINC000067975287 396041528 /nfs/dbraw/zinc/04/15/28/396041528.db2.gz ZMORWPUMQSIZCC-KBPBESRZSA-N 1 0 316.409 0.384 10 0 DCAERO COc1ccccc1C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000154920251 396044477 /nfs/dbraw/zinc/04/44/77/396044477.db2.gz RQDZZEFILHJJHQ-LBPRGKRZSA-N 1 0 305.378 0.635 10 0 DCAERO CN(C(=O)C1([NH3+])CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000261646887 396051805 /nfs/dbraw/zinc/05/18/05/396051805.db2.gz AEWGFDABAJZUNT-CYBMUJFWSA-N 1 0 319.409 0.412 10 0 DCAERO COC1(C(=O)NC2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000261642321 396051932 /nfs/dbraw/zinc/05/19/32/396051932.db2.gz FAJMOKGXLXPHLT-UHFFFAOYSA-N 1 0 318.421 0.935 10 0 DCAERO [NH3+]Cc1ccc(-c2noc(CN3CCCS3(=O)=O)n2)cc1 ZINC000261677527 396055285 /nfs/dbraw/zinc/05/52/85/396055285.db2.gz ACVLQNANZVLDHO-UHFFFAOYSA-N 1 0 308.363 0.731 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261756385 396062839 /nfs/dbraw/zinc/06/28/39/396062839.db2.gz NHNCXXMPSZILFO-NGZCFLSTSA-N 1 0 318.830 0.821 10 0 DCAERO CNC(=O)c1cccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261865563 396073396 /nfs/dbraw/zinc/07/33/96/396073396.db2.gz SNLIDCFBLBOJRN-CQSZACIVSA-N 1 0 305.378 0.416 10 0 DCAERO [NH3+]C1(C(=O)NCCC(=O)NCc2ccccc2)CCOCC1 ZINC000261770422 396064114 /nfs/dbraw/zinc/06/41/14/396064114.db2.gz GOYOHVWHWVNRIG-UHFFFAOYSA-N 1 0 305.378 0.317 10 0 DCAERO CC1(C)NC(=O)N(CCN2CC[NH2+]C[C@@H]2c2cccnc2)C1=O ZINC000261814779 396068786 /nfs/dbraw/zinc/06/87/86/396068786.db2.gz RUHZIOKWMSRTDW-CYBMUJFWSA-N 1 0 317.393 0.358 10 0 DCAERO CS(=O)(=O)N1CCC[N@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249129903 396003377 /nfs/dbraw/zinc/00/33/77/396003377.db2.gz USSCGOKXVWYUSR-AWEZNQCLSA-N 1 0 304.456 0.895 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249251530 396004805 /nfs/dbraw/zinc/00/48/05/396004805.db2.gz XYIGEVSGANRBDB-NEPJUHHUSA-N 1 0 318.377 0.724 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249600193 396010160 /nfs/dbraw/zinc/01/01/60/396010160.db2.gz XXZXVHNPANDYGR-STQMWFEESA-N 1 0 323.418 0.698 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000249701912 396011194 /nfs/dbraw/zinc/01/11/94/396011194.db2.gz ILNFZKMWQVGROG-VIFPVBQESA-N 1 0 304.803 0.542 10 0 DCAERO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152570764 396013217 /nfs/dbraw/zinc/01/32/17/396013217.db2.gz CQWYIDJUZSZCLF-RISCZKNCSA-N 1 0 318.377 0.911 10 0 DCAERO CNS(=O)(=O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249943620 396013895 /nfs/dbraw/zinc/01/38/95/396013895.db2.gz UAHKHMFUZBDHTJ-UKRRQHHQSA-N 1 0 311.451 0.646 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000251560604 396016366 /nfs/dbraw/zinc/01/63/66/396016366.db2.gz GNJLALPAJNRIKL-SMDDNHRTSA-N 1 0 308.426 0.635 10 0 DCAERO [NH3+][C@@H](C(=O)NCCC(=O)N1CCCCCC1)C1CCOCC1 ZINC000261840214 396070859 /nfs/dbraw/zinc/07/08/59/396070859.db2.gz QPHFQPHJHKOFDJ-OAHLLOKOSA-N 1 0 311.426 0.649 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCO1 ZINC000152979247 396018527 /nfs/dbraw/zinc/01/85/27/396018527.db2.gz DVGWZBOKXVKICA-AWEZNQCLSA-N 1 0 315.377 0.874 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC(=O)N1CCCCC1 ZINC000261979409 396086807 /nfs/dbraw/zinc/08/68/07/396086807.db2.gz ZZMCXBKUJCALCE-QEORTHHSSA-N 1 0 323.437 0.648 10 0 DCAERO [NH3+][C@@H](CNS(=O)(=O)c1cnc2n1CCC2)c1ccccc1 ZINC000262012027 396090083 /nfs/dbraw/zinc/09/00/83/396090083.db2.gz HQEJOYPXEZXUCV-LBPRGKRZSA-N 1 0 306.391 0.808 10 0 DCAERO C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262056885 396094549 /nfs/dbraw/zinc/09/45/49/396094549.db2.gz NJLKXZICXIWOFR-YIBTVLSRSA-N 1 0 303.428 0.008 10 0 DCAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCN(C2CC2)C(=O)C1 ZINC000262087295 396098007 /nfs/dbraw/zinc/09/80/07/396098007.db2.gz YFDLKZJHUMVBMB-CYBMUJFWSA-N 1 0 317.393 0.254 10 0 DCAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCS(N)(=O)=O)C2)n1 ZINC000170914542 396101665 /nfs/dbraw/zinc/10/16/65/396101665.db2.gz ZHMNOKKUGBUVBT-ZDUSSCGKSA-N 1 0 312.439 0.802 10 0 DCAERO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262148613 396104340 /nfs/dbraw/zinc/10/43/40/396104340.db2.gz HQLPIYRKBZMCKB-UMVBOHGHSA-N 1 0 317.389 0.274 10 0 DCAERO [NH3+][C@H](C(=O)N1CCCN(c2nccs2)CC1)C1CCOCC1 ZINC000262152509 396104979 /nfs/dbraw/zinc/10/49/79/396104979.db2.gz XMBORHZEZXAISY-ZDUSSCGKSA-N 1 0 324.450 0.936 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)n(C)n1 ZINC000262173391 396107113 /nfs/dbraw/zinc/10/71/13/396107113.db2.gz HYFCYSNLDNMJQQ-AWEZNQCLSA-N 1 0 314.393 0.709 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000070969214 396107695 /nfs/dbraw/zinc/10/76/95/396107695.db2.gz BGNKQFLBZDWWNQ-GFCCVEGCSA-N 1 0 321.425 0.933 10 0 DCAERO CO[C@H](C)CS(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262209036 396110595 /nfs/dbraw/zinc/11/05/95/396110595.db2.gz DUTVDQKJOWRNNL-CYBMUJFWSA-N 1 0 300.424 0.855 10 0 DCAERO Cn1cc(CCCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000171341641 396114620 /nfs/dbraw/zinc/11/46/20/396114620.db2.gz VNCZGIUCKHDSTL-HNNXBMFYSA-N 1 0 323.441 0.499 10 0 DCAERO C[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000262251482 396115034 /nfs/dbraw/zinc/11/50/34/396115034.db2.gz SPWGFCQUKWTCJZ-VIFPVBQESA-N 1 0 315.370 0.899 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000262269083 396116708 /nfs/dbraw/zinc/11/67/08/396116708.db2.gz KGCMJEIAYLZGLX-DZGCQCFKSA-N 1 0 317.389 0.935 10 0 DCAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262292452 396118741 /nfs/dbraw/zinc/11/87/41/396118741.db2.gz HSAPDBRDPYZEMN-XJKSGUPXSA-N 1 0 310.442 0.269 10 0 DCAERO CNC(=O)NC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171623601 396120485 /nfs/dbraw/zinc/12/04/85/396120485.db2.gz XCXLEEMWNCZISO-UHFFFAOYSA-N 1 0 306.370 0.199 10 0 DCAERO O[C@H](Cn1cccn1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171628735 396120655 /nfs/dbraw/zinc/12/06/55/396120655.db2.gz TWMMIICTINYZKI-AWEZNQCLSA-N 1 0 302.382 0.611 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH2+]1 ZINC000262315559 396122337 /nfs/dbraw/zinc/12/23/37/396122337.db2.gz CACIVTOOHWXURL-GUBZILKMSA-N 1 0 307.316 0.654 10 0 DCAERO Cc1cc(CN2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)no1 ZINC000262331947 396125495 /nfs/dbraw/zinc/12/54/95/396125495.db2.gz SHUGTAWCQQYGPW-UHFFFAOYSA-N 1 0 322.409 0.383 10 0 DCAERO O=C(c1ccc(Cl)cc1)N1CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000072266923 396128188 /nfs/dbraw/zinc/12/81/88/396128188.db2.gz GXXHXIGBXVXHRZ-ZIAGYGMSSA-N 1 0 309.797 0.431 10 0 DCAERO CC(C)[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000262425415 396139085 /nfs/dbraw/zinc/13/90/85/396139085.db2.gz SEJUHQCTUKLCFA-WFASDCNBSA-N 1 0 317.393 0.921 10 0 DCAERO Cn1ncc2c1ncnc2N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261890444 396076347 /nfs/dbraw/zinc/07/63/47/396076347.db2.gz SYFOPHMHVSIIKR-INIZCTEOSA-N 1 0 315.425 0.485 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc(-c2ccco2)no1 ZINC000261914036 396078827 /nfs/dbraw/zinc/07/88/27/396078827.db2.gz GPNKRQAESLMCAQ-UHFFFAOYSA-N 1 0 305.338 0.193 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)C(=O)N1c1ccccc1 ZINC000261936227 396080897 /nfs/dbraw/zinc/08/08/97/396080897.db2.gz WUEREMKEYRGYCH-TZMCWYRMSA-N 1 0 317.389 0.805 10 0 DCAERO [NH3+]CC1(C(=O)NC2CCN(c3ccccn3)CC2)CCOCC1 ZINC000261942503 396081406 /nfs/dbraw/zinc/08/14/06/396081406.db2.gz UZLVQBSGCPAEDQ-UHFFFAOYSA-N 1 0 318.421 0.922 10 0 DCAERO C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261965994 396084776 /nfs/dbraw/zinc/08/47/76/396084776.db2.gz HTGSNVPLAMXQMC-WBVHZDCISA-N 1 0 308.470 0.615 10 0 DCAERO Cc1nc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c(C)s1 ZINC000178886615 396212846 /nfs/dbraw/zinc/21/28/46/396212846.db2.gz NKAYVTZHMLZNMY-GFCCVEGCSA-N 1 0 313.423 0.525 10 0 DCAERO CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C(=O)N1CCOCC1 ZINC000262482689 396145288 /nfs/dbraw/zinc/14/52/88/396145288.db2.gz SGBPZCZLMKPOOS-BARDWOONSA-N 1 0 323.437 0.661 10 0 DCAERO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262512163 396149353 /nfs/dbraw/zinc/14/93/53/396149353.db2.gz NBNZJDURNMLYSZ-KFWWJZLASA-N 1 0 322.453 0.187 10 0 DCAERO CSCC[C@@H](NC(N)=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262590261 396159224 /nfs/dbraw/zinc/15/92/24/396159224.db2.gz AJEXTTDGHFONCZ-VXGBXAGGSA-N 1 0 316.471 0.800 10 0 DCAERO Cc1cncc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177204210 396168835 /nfs/dbraw/zinc/16/88/35/396168835.db2.gz UPJPFIJKYLUXBK-CQSZACIVSA-N 1 0 320.393 0.292 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262772580 396180696 /nfs/dbraw/zinc/18/06/96/396180696.db2.gz MQCFJPZTIMETKD-IUCAKERBSA-N 1 0 318.420 0.811 10 0 DCAERO Cc1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000177676562 396181411 /nfs/dbraw/zinc/18/14/11/396181411.db2.gz CKXLVAORJWFEIR-LBPRGKRZSA-N 1 0 323.368 0.862 10 0 DCAERO COc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697123 396181946 /nfs/dbraw/zinc/18/19/46/396181946.db2.gz VSISVBNVVIDSIW-GFCCVEGCSA-N 1 0 303.362 0.940 10 0 DCAERO C[C@H]1[NH2+]CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H]1C ZINC000262789392 396182413 /nfs/dbraw/zinc/18/24/13/396182413.db2.gz MTLKMNGSPXTBIA-MNOVXSKESA-N 1 0 316.361 0.311 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2cn3ccsc3n2)n1 ZINC000263297378 396211735 /nfs/dbraw/zinc/21/17/35/396211735.db2.gz WNLNOXRDDWTNKJ-SNVBAGLBSA-N 1 0 304.379 0.946 10 0 DCAERO CCC[C@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000178644946 396203202 /nfs/dbraw/zinc/20/32/02/396203202.db2.gz RILRTUNXAUSCGX-GFCCVEGCSA-N 1 0 305.444 0.211 10 0 DCAERO CC[C@H]1CN(C(=O)NCC(C)(C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000181860114 396243259 /nfs/dbraw/zinc/24/32/59/396243259.db2.gz UWWMDGYPIKAWLC-OLZOCXBDSA-N 1 0 301.431 0.898 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181940994 396243711 /nfs/dbraw/zinc/24/37/11/396243711.db2.gz PLHFCMMMDHATTM-ZDUSSCGKSA-N 1 0 313.442 0.860 10 0 DCAERO COc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)cc2c1OCCO2 ZINC000078639069 396250973 /nfs/dbraw/zinc/25/09/73/396250973.db2.gz BDRRVBPVOLNHLH-SNVBAGLBSA-N 1 0 315.391 0.989 10 0 DCAERO Cc1nccn1CCCN(C)C(=O)NCCCn1ccnn1 ZINC000183552969 396271182 /nfs/dbraw/zinc/27/11/82/396271182.db2.gz HVRDRXZICMFVES-UHFFFAOYSA-N 1 0 305.386 0.905 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000079920580 396272619 /nfs/dbraw/zinc/27/26/19/396272619.db2.gz IFIRSWIGNZQSBE-MRXNPFEDSA-N 1 0 310.394 0.689 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183787522 396275364 /nfs/dbraw/zinc/27/53/64/396275364.db2.gz RAAOGRFJXFZIFI-UHFFFAOYSA-N 1 0 305.382 0.439 10 0 DCAERO CCN(CC1CC1)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000183876720 396276595 /nfs/dbraw/zinc/27/65/95/396276595.db2.gz QINTZKSZONUHHA-AWEZNQCLSA-N 1 0 319.471 0.664 10 0 DCAERO COc1ccccc1[C@H](NC(=O)C1C[NH2+]C1)c1noc(C)n1 ZINC000263330358 396214314 /nfs/dbraw/zinc/21/43/14/396214314.db2.gz UUAIDPDSUYBUEI-ZDUSSCGKSA-N 1 0 302.334 0.812 10 0 DCAERO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000185195491 396320937 /nfs/dbraw/zinc/32/09/37/396320937.db2.gz XSKGEXWHOVMMNK-JTNLRUPASA-N 1 0 314.389 0.650 10 0 DCAERO C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000184428386 396295357 /nfs/dbraw/zinc/29/53/57/396295357.db2.gz OSUBPNXFGOZOBB-UONOGXRCSA-N 1 0 319.471 0.063 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000184680029 396301434 /nfs/dbraw/zinc/30/14/34/396301434.db2.gz AHLMVSREQQVHIL-CYBMUJFWSA-N 1 0 319.471 0.985 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185635883 396331729 /nfs/dbraw/zinc/33/17/29/396331729.db2.gz WFEVZPJQKFYMPG-LLVKDONJSA-N 1 0 305.353 0.877 10 0 DCAERO CNC(=O)CC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000185873370 396335618 /nfs/dbraw/zinc/33/56/18/396335618.db2.gz JQKACQOWARHOGG-UHFFFAOYSA-N 1 0 313.442 0.720 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC(C)(C)CC(N)=O)ccn2)CC1 ZINC000186264588 396346991 /nfs/dbraw/zinc/34/69/91/396346991.db2.gz BOTRBGTYGWEXHG-UHFFFAOYSA-N 1 0 319.409 0.217 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186559303 396352755 /nfs/dbraw/zinc/35/27/55/396352755.db2.gz CZUKHJFDZVAKAN-GFCCVEGCSA-N 1 0 317.455 0.401 10 0 DCAERO CN(C)c1ncc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000186628601 396353915 /nfs/dbraw/zinc/35/39/15/396353915.db2.gz IPBQUARMXMZLLB-UHFFFAOYSA-N 1 0 318.385 0.945 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187529934 396370419 /nfs/dbraw/zinc/37/04/19/396370419.db2.gz GNJLALPAJNRIKL-RISCZKNCSA-N 1 0 308.426 0.635 10 0 DCAERO COc1cccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000189793405 396399479 /nfs/dbraw/zinc/39/94/79/396399479.db2.gz OWCGUPVBVXXCSF-UHFFFAOYSA-N 1 0 303.362 0.940 10 0 DCAERO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC1CC(O)C1 ZINC000190227525 396403758 /nfs/dbraw/zinc/40/37/58/396403758.db2.gz LPVIUQUUGZTHSS-AFPNSQJFSA-N 1 0 311.304 0.466 10 0 DCAERO CCn1cc([C@@H]2CN(C(=O)NCCn3ccnc3)CCO2)cn1 ZINC000190492886 396407123 /nfs/dbraw/zinc/40/71/23/396407123.db2.gz DQQMSYADLPALKB-AWEZNQCLSA-N 1 0 318.381 0.883 10 0 DCAERO C[C@H]1C(=O)NCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000191246346 396417407 /nfs/dbraw/zinc/41/74/07/396417407.db2.gz AHBFUVQDLKZHFY-ZDUSSCGKSA-N 1 0 312.414 0.019 10 0 DCAERO C[C@H]([NH3+])CCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000193197114 396445968 /nfs/dbraw/zinc/44/59/68/396445968.db2.gz XDHWOXPKHKHANP-JTQLQIEISA-N 1 0 304.350 0.804 10 0 DCAERO CN(C)S(=O)(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192937486 396440702 /nfs/dbraw/zinc/44/07/02/396440702.db2.gz HEKKYTCWKUGVAF-AWEZNQCLSA-N 1 0 312.439 0.642 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccnn1C ZINC000193009831 396442289 /nfs/dbraw/zinc/44/22/89/396442289.db2.gz XMPBPEFXVXWTDP-NWDGAFQWSA-N 1 0 302.382 1.000 10 0 DCAERO CN1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000187919480 396376369 /nfs/dbraw/zinc/37/63/69/396376369.db2.gz ZBCPDWKMQGNMPE-UHFFFAOYSA-N 1 0 308.386 0.141 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000193293930 396448009 /nfs/dbraw/zinc/44/80/09/396448009.db2.gz YCWMOLAYTAXDEL-ZDUSSCGKSA-N 1 0 311.407 0.404 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193418146 396450835 /nfs/dbraw/zinc/45/08/35/396450835.db2.gz NRNODCIDEROVGO-CMPLNLGQSA-N 1 0 312.391 0.750 10 0 DCAERO CCn1ncnc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000193438776 396451519 /nfs/dbraw/zinc/45/15/19/396451519.db2.gz KHSBEEJGRGHKEG-OAHLLOKOSA-N 1 0 306.458 0.900 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCOC)CC1 ZINC000193444290 396451524 /nfs/dbraw/zinc/45/15/24/396451524.db2.gz GQTYBOCYPFTVLW-CQSZACIVSA-N 1 0 300.447 0.690 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CN1C1CC1 ZINC000527752831 396547591 /nfs/dbraw/zinc/54/75/91/396547591.db2.gz IUSIVPWLMLBMAK-IIDMSEBBSA-N 1 0 323.481 0.817 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000533458475 396602862 /nfs/dbraw/zinc/60/28/62/396602862.db2.gz RGBNHNDSOGFMRA-CYBMUJFWSA-N 1 0 323.445 0.720 10 0 DCAERO Cn1nnc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000584875637 396631327 /nfs/dbraw/zinc/63/13/27/396631327.db2.gz KVJKKJSKGFXJBX-UHFFFAOYSA-N 1 0 300.366 0.736 10 0 DCAERO C[N@H+](CCC(=O)N1CCOCC1)C[C@H]1CCc2nccn2C1 ZINC000328642942 396828884 /nfs/dbraw/zinc/82/88/84/396828884.db2.gz RFSBGQPISFTSRD-CQSZACIVSA-N 1 0 306.410 0.626 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000629590320 396800785 /nfs/dbraw/zinc/80/07/85/396800785.db2.gz UIQGLSADOMXQPV-OIISXLGYSA-N 1 0 323.389 0.758 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@](F)(CO)C1 ZINC000376412860 396924381 /nfs/dbraw/zinc/92/43/81/396924381.db2.gz INCYXENHNURABZ-HOCLYGCPSA-N 1 0 314.401 0.953 10 0 DCAERO CO[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)[C@](C)(C[NH3+])C1 ZINC000630357130 396992672 /nfs/dbraw/zinc/99/26/72/396992672.db2.gz WKLRFXDMYJBERR-SJCJKPOMSA-N 1 0 317.389 0.721 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630361762 396994155 /nfs/dbraw/zinc/99/41/55/396994155.db2.gz VLHLKEWINNKXCI-AGIUHOORSA-N 1 0 305.444 0.544 10 0 DCAERO O[C@H](COc1ccc2c(c1)OCO2)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591911561 397032688 /nfs/dbraw/zinc/03/26/88/397032688.db2.gz XKOCGZDMOSUKNI-KGLIPLIRSA-N 1 0 320.389 0.935 10 0 DCAERO O=C(c1ccc(Br)cn1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000572527888 397069708 /nfs/dbraw/zinc/06/97/08/397069708.db2.gz QRVJTVNWKZEBJQ-WDEREUQCSA-N 1 0 312.167 0.657 10 0 DCAERO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000572343757 397048048 /nfs/dbraw/zinc/04/80/48/397048048.db2.gz DUSLUYUJRFCVDZ-BZUAXINKSA-N 1 0 316.442 0.195 10 0 DCAERO COC[C@H]([NH3+])Cc1cn(CC(=O)NCc2ccccc2)nn1 ZINC000630588347 397055180 /nfs/dbraw/zinc/05/51/80/397055180.db2.gz CURVIYIOZCERBQ-CYBMUJFWSA-N 1 0 303.366 0.111 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000631269499 397196801 /nfs/dbraw/zinc/19/68/01/397196801.db2.gz JDCCIYKJRQQNHU-HZPDHXFCSA-N 1 0 324.469 0.386 10 0 DCAERO C[C@H](CNC(=O)N1CCOCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000378434122 397240658 /nfs/dbraw/zinc/24/06/58/397240658.db2.gz UGUOPKCTLDBYRN-CABCVRRESA-N 1 0 312.458 0.690 10 0 DCAERO Cc1nc(N[C@@H](CC[NH3+])C(F)F)sc1S(N)(=O)=O ZINC000383401264 397276977 /nfs/dbraw/zinc/27/69/77/397276977.db2.gz SGRXJGBYKQYISM-YFKPBYRVSA-N 1 0 300.356 0.493 10 0 DCAERO CCOC(=O)C1(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000408077255 397346353 /nfs/dbraw/zinc/34/63/53/397346353.db2.gz VKUMAQDZFOMUJS-STQMWFEESA-N 1 0 312.410 0.897 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408065032 397346391 /nfs/dbraw/zinc/34/63/91/397346391.db2.gz XHCKOWIQKZAKGZ-LXTVHRRPSA-N 1 0 323.437 0.742 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408182704 397349172 /nfs/dbraw/zinc/34/91/72/397349172.db2.gz LQCIQUUVLPKJOW-STQMWFEESA-N 1 0 305.444 0.368 10 0 DCAERO CO[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621316818 397372333 /nfs/dbraw/zinc/37/23/33/397372333.db2.gz CGIYDHXXPDWYRF-GXSJLCMTSA-N 1 0 306.374 0.161 10 0 DCAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459703222 397433449 /nfs/dbraw/zinc/43/34/49/397433449.db2.gz RZNURSDOUSSJDQ-JSGCOSHPSA-N 1 0 318.377 0.979 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000369201888 397433533 /nfs/dbraw/zinc/43/35/33/397433533.db2.gz CZVCXBVJQVOHEA-DGCLKSJQSA-N 1 0 324.343 0.871 10 0 DCAERO C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614178792 397393031 /nfs/dbraw/zinc/39/30/31/397393031.db2.gz DVEPNJPBRHPZPD-MQJDWESPSA-N 1 0 315.443 0.675 10 0 DCAERO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1)N1CCNC1=O ZINC000367530216 397402808 /nfs/dbraw/zinc/40/28/08/397402808.db2.gz BNBQKUKDGBKQLY-CABCVRRESA-N 1 0 317.389 0.636 10 0 DCAERO CC1(C)C[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644061 397646397 /nfs/dbraw/zinc/64/63/97/397646397.db2.gz QFRQCTMAKRRFDK-UONOGXRCSA-N 1 0 310.442 0.491 10 0 DCAERO CS[C@H](CO)[C@@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478178 397825314 /nfs/dbraw/zinc/82/53/14/397825314.db2.gz PDINYGZLMOGUOZ-ZYHUDNBSSA-N 1 0 315.443 0.679 10 0 DCAERO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247919741 292174581 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NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000076431301 158065111 /nfs/dbraw/zinc/06/51/11/158065111.db2.gz HRFHRQLCUKDENX-LLVKDONJSA-N 1 0 321.343 0.985 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)CO)CC1 ZINC000077807895 158069921 /nfs/dbraw/zinc/06/99/21/158069921.db2.gz DMMVQWCKTFRDTI-CHWSQXEVSA-N 1 0 301.431 0.803 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1C ZINC000085362665 158089956 /nfs/dbraw/zinc/08/99/56/158089956.db2.gz NPRQIFQLFCHYIO-VXGBXAGGSA-N 1 0 311.407 0.969 10 0 DCAERO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745258 158098842 /nfs/dbraw/zinc/09/88/42/158098842.db2.gz DEFPNYXNOHNDMQ-CHWSQXEVSA-N 1 0 317.455 0.306 10 0 DCAERO Cc1nnc(CN2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)o1 ZINC000105845657 158130231 /nfs/dbraw/zinc/13/02/31/158130231.db2.gz KYYFPNFWIGKOMR-HNNXBMFYSA-N 1 0 323.441 0.605 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000105876827 158131320 /nfs/dbraw/zinc/13/13/20/158131320.db2.gz 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ZINC000124264229 158239929 /nfs/dbraw/zinc/23/99/29/158239929.db2.gz KVFGMLOVCPEBEY-QWHCGFSZSA-N 1 0 309.410 0.176 10 0 DCAERO COC(=O)C1(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000125502926 158256942 /nfs/dbraw/zinc/25/69/42/158256942.db2.gz WYACBQSWQMMWRT-LBPRGKRZSA-N 1 0 310.394 0.651 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCO1 ZINC000127307597 158273022 /nfs/dbraw/zinc/27/30/22/158273022.db2.gz ZRYXNIBSZZXXPS-JTQLQIEISA-N 1 0 318.299 0.898 10 0 DCAERO CCOCCOCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000127385500 158273093 /nfs/dbraw/zinc/27/30/93/158273093.db2.gz VMNKCNDIIJLBAD-UHFFFAOYSA-N 1 0 322.409 0.825 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C1 ZINC000127739454 158275610 /nfs/dbraw/zinc/27/56/10/158275610.db2.gz OBCHEDJYLXHPIG-SNVBAGLBSA-N 1 0 302.783 0.592 10 0 DCAERO O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N[C@@H]1CC[NH2+]C1 ZINC000127925984 158277054 /nfs/dbraw/zinc/27/70/54/158277054.db2.gz AZPAZVSLCBGHNE-XFNZEKPQSA-N 1 0 324.402 0.434 10 0 DCAERO CCC1(CO)CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000128063124 158278739 /nfs/dbraw/zinc/27/87/39/158278739.db2.gz YGSBRSHMTYKLRE-CYBMUJFWSA-N 1 0 311.426 0.195 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000130014340 158292321 /nfs/dbraw/zinc/29/23/21/158292321.db2.gz QVLNLLMHEJCNLP-OLZOCXBDSA-N 1 0 320.441 0.748 10 0 DCAERO COCC(=O)N(C)CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000131949754 158307078 /nfs/dbraw/zinc/30/70/78/158307078.db2.gz SUVTWENEQQPDSG-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000132590347 158312821 /nfs/dbraw/zinc/31/28/21/158312821.db2.gz ZQSRXRHVIZTVOS-OLZOCXBDSA-N 1 0 311.430 0.574 10 0 DCAERO Cc1nnc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)[nH]1 ZINC000136309218 158343008 /nfs/dbraw/zinc/34/30/08/158343008.db2.gz KBHVTCOFYORSRP-ZDUSSCGKSA-N 1 0 307.398 0.745 10 0 DCAERO Cn1ccnc1COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000165577452 158364955 /nfs/dbraw/zinc/36/49/55/158364955.db2.gz ILWOJSDQGPJQGI-OCCSQVGLSA-N 1 0 316.361 0.660 10 0 DCAERO O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000167975148 158371057 /nfs/dbraw/zinc/37/10/57/158371057.db2.gz XAXNQODQLGBEDQ-WBVHZDCISA-N 1 0 321.396 0.566 10 0 DCAERO CSCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171559258 158384722 /nfs/dbraw/zinc/38/47/22/158384722.db2.gz NIKAJADFHXSVPO-CQSZACIVSA-N 1 0 315.483 0.603 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000171864203 158387615 /nfs/dbraw/zinc/38/76/15/158387615.db2.gz QUJKLOIPOPTOOH-UHFFFAOYSA-N 1 0 309.414 0.754 10 0 DCAERO NC(=O)NC(=O)CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000171972251 158388793 /nfs/dbraw/zinc/38/87/93/158388793.db2.gz VRDVGFLZSVPONI-CYBMUJFWSA-N 1 0 312.414 0.148 10 0 DCAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCO1 ZINC000172031887 158389506 /nfs/dbraw/zinc/38/95/06/158389506.db2.gz JHKITRJQXIXIRI-QWHCGFSZSA-N 1 0 306.428 0.148 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)NCC[NH+]1CCCCC1)CC2 ZINC000172297828 158393358 /nfs/dbraw/zinc/39/33/58/158393358.db2.gz LBYXJUZLLWFPST-CYBMUJFWSA-N 1 0 320.441 0.940 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[N@@H+](C3CC3)CC2)C1 ZINC000172540095 158395998 /nfs/dbraw/zinc/39/59/98/158395998.db2.gz CBGCLOZWYVGBDU-OAHLLOKOSA-N 1 0 322.453 0.284 10 0 DCAERO C[C@H]1CN(C2CC[NH+](CCCN3CCOCC3)CC2)CCO1 ZINC000172725109 158398539 /nfs/dbraw/zinc/39/85/39/158398539.db2.gz FCJRJYCEHCHIQF-INIZCTEOSA-N 1 0 311.470 0.894 10 0 DCAERO CCc1nc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cs1 ZINC000172794487 158399592 /nfs/dbraw/zinc/39/95/92/158399592.db2.gz HCMXWUJPDNTDPB-NSHDSACASA-N 1 0 324.450 0.732 10 0 DCAERO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804046 158399677 /nfs/dbraw/zinc/39/96/77/158399677.db2.gz VXUNHZHWXBDHOH-UKRRQHHQSA-N 1 0 322.453 0.269 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccn(CC(=O)OC)n1 ZINC000173287945 158404671 /nfs/dbraw/zinc/40/46/71/158404671.db2.gz 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/nfs/dbraw/zinc/58/37/97/158583797.db2.gz ZMEMJYIZNQSHLZ-WPRPVWTQSA-N 1 0 316.379 0.651 10 0 DCAERO CC1(C)CN(S(=O)(=O)c2cnn(CC(F)F)c2)CC[C@@H]1[NH3+] ZINC000261918018 158753312 /nfs/dbraw/zinc/75/33/12/158753312.db2.gz YHYNNAGIXHGRHK-JTQLQIEISA-N 1 0 322.381 0.896 10 0 DCAERO C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262235760 158788619 /nfs/dbraw/zinc/78/86/19/158788619.db2.gz KOJUDKZCNHVXHZ-BNOWGMLFSA-N 1 0 308.426 0.636 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000262271580 158791324 /nfs/dbraw/zinc/79/13/24/158791324.db2.gz KMNUWXIAHZPROC-AWEZNQCLSA-N 1 0 311.426 0.648 10 0 DCAERO COc1ccccc1CC(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262412011 158810326 /nfs/dbraw/zinc/81/03/26/158810326.db2.gz ZHDVECOGVRZIMX-KGLIPLIRSA-N 1 0 306.406 0.960 10 0 DCAERO COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262530247 158821840 /nfs/dbraw/zinc/82/18/40/158821840.db2.gz PKBMKAGNCWQEKR-OLZOCXBDSA-N 1 0 323.368 0.206 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000262836309 158844537 /nfs/dbraw/zinc/84/45/37/158844537.db2.gz QUXDUCQWECEWML-NDBYEHHHSA-N 1 0 307.394 0.276 10 0 DCAERO O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000263234146 158865139 /nfs/dbraw/zinc/86/51/39/158865139.db2.gz BIFQIRWVBUKLKF-NSHDSACASA-N 1 0 318.295 0.781 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000328927372 159042511 /nfs/dbraw/zinc/04/25/11/159042511.db2.gz XARPUWZGWRAJPO-ZIAGYGMSSA-N 1 0 319.471 0.664 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985050 159049545 /nfs/dbraw/zinc/04/95/45/159049545.db2.gz SZSAJUFCLWWHBW-RWMBFGLXSA-N 1 0 321.425 0.213 10 0 DCAERO Cc1c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)nnn1C(C)C ZINC000329165066 159069460 /nfs/dbraw/zinc/06/94/60/159069460.db2.gz HIEPNSFRIUKZDW-QWHCGFSZSA-N 1 0 307.398 0.713 10 0 DCAERO CN(C(=O)Cc1nc2ncccn2n1)[C@H]1C[NH+]2CCC1CC2 ZINC000329451205 159094799 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/nfs/dbraw/zinc/91/57/12/415915712.db2.gz CQQLSHGHYPHSBU-YUELXQCFSA-N 1 0 310.442 0.979 10 0 DCAERO COc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000155215013 415994667 /nfs/dbraw/zinc/99/46/67/415994667.db2.gz ZLNGFEFXAXOGQQ-JTQLQIEISA-N 1 0 309.341 0.935 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541617 416047326 /nfs/dbraw/zinc/04/73/26/416047326.db2.gz JDHRQBIHVJJPJM-CYBMUJFWSA-N 1 0 322.453 0.282 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)Cc2nnnn2CC(F)(F)F)[N@H+](C)C1 ZINC000345143237 416053247 /nfs/dbraw/zinc/05/32/47/416053247.db2.gz MBVQUWYAKUVAJJ-UWVGGRQHSA-N 1 0 322.335 0.386 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(CC(=O)OC)n2)C1 ZINC000173286413 416055967 /nfs/dbraw/zinc/05/59/67/416055967.db2.gz YSBJWYWJSAMTGN-NSHDSACASA-N 1 0 309.370 0.662 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CC[NH+](CC4CC4)CC3)C2=O)n(C)n1 ZINC000173548665 416060613 /nfs/dbraw/zinc/06/06/13/416060613.db2.gz QXMODUVPXJDXCA-OAHLLOKOSA-N 1 0 317.437 0.861 10 0 DCAERO 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/nfs/dbraw/zinc/11/34/14/416113414.db2.gz RCZYIZINYOZRDT-UHFFFAOYSA-N 1 0 324.429 0.593 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1CO ZINC000175948027 416116801 /nfs/dbraw/zinc/11/68/01/416116801.db2.gz GGGHHQUSRUWOPB-GJZGRUSLSA-N 1 0 313.442 0.949 10 0 DCAERO Cc1n[nH]cc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175999035 416118095 /nfs/dbraw/zinc/11/80/95/416118095.db2.gz GPCQNHRNJYXRRV-AWEZNQCLSA-N 1 0 305.426 0.960 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000323374261 416120512 /nfs/dbraw/zinc/12/05/12/416120512.db2.gz FIZFAYAPPUBWKC-CPUCHLNUSA-N 1 0 323.437 0.480 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(c3nc4c(cnn4C)c(=O)[nH]3)[C@H]2C1 ZINC000328722747 416128659 /nfs/dbraw/zinc/12/86/59/416128659.db2.gz XRWCBEHCIJLLHM-NWDGAFQWSA-N 1 0 318.381 0.368 10 0 DCAERO CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000176607355 416130087 /nfs/dbraw/zinc/13/00/87/416130087.db2.gz VEMXXGGSGKTTFT-UHFFFAOYSA-N 1 0 305.382 0.538 10 0 DCAERO 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/nfs/dbraw/zinc/20/09/48/416200948.db2.gz UVKMETGDHOEOMX-GOEBONIOSA-N 1 0 309.454 0.945 10 0 DCAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000181566987 416210159 /nfs/dbraw/zinc/21/01/59/416210159.db2.gz SGBPBTCQRBQIHR-AAEUAGOBSA-N 1 0 324.406 0.242 10 0 DCAERO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358205053 416211903 /nfs/dbraw/zinc/21/19/03/416211903.db2.gz VDXGHDYZXXPWOM-GFCCVEGCSA-N 1 0 304.437 0.710 10 0 DCAERO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000182196330 416215947 /nfs/dbraw/zinc/21/59/47/416215947.db2.gz GQVDYCHJWZJVIZ-OCCSQVGLSA-N 1 0 323.418 0.998 10 0 DCAERO CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@@]2(CCOC2)O1 ZINC000358236520 416217402 /nfs/dbraw/zinc/21/74/02/416217402.db2.gz OSLPWLJXGDLPPU-WMLDXEAASA-N 1 0 323.437 0.173 10 0 DCAERO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000182371446 416218769 /nfs/dbraw/zinc/21/87/69/416218769.db2.gz NXIPLNFQACTHMK-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(=O)OC)co1 ZINC000183540177 416245401 /nfs/dbraw/zinc/24/54/01/416245401.db2.gz DFHWLRDOHURGJN-LBPRGKRZSA-N 1 0 310.350 0.907 10 0 DCAERO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)ncn1 ZINC000188925926 416264463 /nfs/dbraw/zinc/26/44/63/416264463.db2.gz GKSHWXSDEBPWRC-SDDRHHMPSA-N 1 0 322.388 0.303 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1F ZINC000190027368 416273889 /nfs/dbraw/zinc/27/38/89/416273889.db2.gz LUPYXVITXPYCLX-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1C ZINC000190039995 416274466 /nfs/dbraw/zinc/27/44/66/416274466.db2.gz YYBDKOYGWUJQOE-CYBMUJFWSA-N 1 0 319.405 0.767 10 0 DCAERO C[C@H]1OCC[C@@H]1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000190228023 416275536 /nfs/dbraw/zinc/27/55/36/416275536.db2.gz ATTLEAMKZYKTEW-OCCSQVGLSA-N 1 0 319.471 0.109 10 0 DCAERO CC[C@@](C)(CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000183375776 416239328 /nfs/dbraw/zinc/23/93/28/416239328.db2.gz OHIDPYMUFWDPED-INIZCTEOSA-N 1 0 306.410 0.724 10 0 DCAERO C[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358847394 416283611 /nfs/dbraw/zinc/28/36/11/416283611.db2.gz IXPNHRXRQJIBTL-AGIUHOORSA-N 1 0 313.442 0.308 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCO1 ZINC000191870659 416291540 /nfs/dbraw/zinc/29/15/40/416291540.db2.gz YLAPTDGPSDZEPP-ZFWWWQNUSA-N 1 0 318.377 0.364 10 0 DCAERO O=C(Nc1cnns1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191989190 416295203 /nfs/dbraw/zinc/29/52/03/416295203.db2.gz OAOYNBOQRMHVEO-UHFFFAOYSA-N 1 0 323.422 0.811 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000262275312 416336547 /nfs/dbraw/zinc/33/65/47/416336547.db2.gz KYRVRWOHXOEDEL-CQSZACIVSA-N 1 0 311.426 0.648 10 0 DCAERO CC(C)NC(=O)CN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262418304 416336733 /nfs/dbraw/zinc/33/67/33/416336733.db2.gz DUAOWYSZUVFHJB-DETPVDSQSA-N 1 0 311.426 0.502 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000359589878 416351710 /nfs/dbraw/zinc/35/17/10/416351710.db2.gz IGNWJRNAAKETMK-ZIAGYGMSSA-N 1 0 309.410 0.176 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N3CCCC[C@H]3C[NH3+])n2)cc1 ZINC000237811931 416328839 /nfs/dbraw/zinc/32/88/39/416328839.db2.gz OTDAIMMUENIRJC-AWEZNQCLSA-N 1 0 314.393 0.988 10 0 DCAERO CC[N@H+](CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C1CC1 ZINC000246091201 416331618 /nfs/dbraw/zinc/33/16/18/416331618.db2.gz HAVXLAOQVMEVEV-ZBFHGGJFSA-N 1 0 324.469 0.833 10 0 DCAERO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246174325 416331695 /nfs/dbraw/zinc/33/16/95/416331695.db2.gz SICTXUDZNBGHGJ-OAGGEKHMSA-N 1 0 300.443 0.672 10 0 DCAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000359922794 416366281 /nfs/dbraw/zinc/36/62/81/416366281.db2.gz INXOQPXXDBVPGN-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccc(I)cn1 ZINC000420244608 416418128 /nfs/dbraw/zinc/41/81/28/416418128.db2.gz QJZCMWUKKFYALD-CBAPKCEASA-N 1 0 319.146 0.678 10 0 DCAERO CC(C)(C)n1cnc(NC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000583515310 416471806 /nfs/dbraw/zinc/47/18/06/416471806.db2.gz GKYUSTBQQGPEGO-UHFFFAOYSA-N 1 0 303.370 1.084 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)NCCc2nnc3n2CCCCC3)[N@H+](C)C1 ZINC000583616785 416478666 /nfs/dbraw/zinc/47/86/66/416478666.db2.gz CJVNJMBWQWNSLL-STQMWFEESA-N 1 0 321.425 0.382 10 0 DCAERO C[N@@H+]1CC[C@H](C(=O)N2CCn3c(nnc3-c3cccnc3)C2)C1 ZINC000533194095 416480522 /nfs/dbraw/zinc/48/05/22/416480522.db2.gz DVTSPEVXBKGAAR-ZDUSSCGKSA-N 1 0 312.377 0.634 10 0 DCAERO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2c(c1)OCO2 ZINC000362082077 416560542 /nfs/dbraw/zinc/56/05/42/416560542.db2.gz ZRDVCVFXCZPADK-OCCSQVGLSA-N 1 0 317.389 0.982 10 0 DCAERO CO[C@H]1COCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000459009942 416518154 /nfs/dbraw/zinc/51/81/54/416518154.db2.gz PIMUUITVEBYEHG-JSGCOSHPSA-N 1 0 308.382 0.266 10 0 DCAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000365779950 416611269 /nfs/dbraw/zinc/61/12/69/416611269.db2.gz CILXAIDKCXPORS-HUUCEWRRSA-N 1 0 324.469 0.833 10 0 DCAERO COc1ncc(NC(=O)N(C)CCC[NH+](C)C)cc1C(N)=O ZINC000543627099 416642826 /nfs/dbraw/zinc/64/28/26/416642826.db2.gz QTTHSRHRSRCCJZ-UHFFFAOYSA-N 1 0 309.370 0.605 10 0 DCAERO CN(C)c1noc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000368531030 416665632 /nfs/dbraw/zinc/66/56/32/416665632.db2.gz SBYVBKHJIBTYIT-GFCCVEGCSA-N 1 0 322.413 0.050 10 0 DCAERO COC(=O)C(C)(C)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000515580726 416704277 /nfs/dbraw/zinc/70/42/77/416704277.db2.gz HNPIDIDEBNZGOL-UHFFFAOYSA-N 1 0 313.442 0.814 10 0 DCAERO CCO[C@@H]1C[C@@](NC(=O)[C@H](C)[NH+](C)C)(C(=O)OC)C1(C)C ZINC000614905484 416722679 /nfs/dbraw/zinc/72/26/79/416722679.db2.gz LCGBWUIWAHCTCK-FIXISWKDSA-N 1 0 300.399 0.800 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832866 416756640 /nfs/dbraw/zinc/75/66/40/416756640.db2.gz ORMQBLLEIPNKLS-DZGCQCFKSA-N 1 0 310.442 0.269 10 0 DCAERO CCN(CCC(F)(F)F)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916723 416798939 /nfs/dbraw/zinc/79/89/39/416798939.db2.gz CSNHXTJLANLEMQ-SECBINFHSA-N 1 0 304.334 0.579 10 0 DCAERO CC(C)OC1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631918677 416800572 /nfs/dbraw/zinc/80/05/72/416800572.db2.gz JFHQPDZFYGWRTK-ZDUSSCGKSA-N 1 0 306.428 0.194 10 0 DCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000559748080 416819691 /nfs/dbraw/zinc/81/96/91/416819691.db2.gz CEMWJINMVPJHIH-YMTOWFKASA-N 1 0 305.334 0.468 10 0 DCAERO Cc1nccn1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559749085 416820235 /nfs/dbraw/zinc/82/02/35/416820235.db2.gz RDUDSYXURQMGTO-UHFFFAOYSA-N 1 0 309.414 0.108 10 0 DCAERO C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C(N)=O)O1 ZINC000623704564 416870404 /nfs/dbraw/zinc/87/04/04/416870404.db2.gz ALMHAWCBWQSEOI-NWDGAFQWSA-N 1 0 312.414 0.145 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000631961070 416832474 /nfs/dbraw/zinc/83/24/74/416832474.db2.gz 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O=C([C@@H]1OCC[C@@H]1Cn1ccnc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000621837363 417314418 /nfs/dbraw/zinc/31/44/18/417314418.db2.gz GBQIUGJLVKIZIE-OWCLPIDISA-N 1 0 318.421 0.985 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC12COC2 ZINC000452266714 417463540 /nfs/dbraw/zinc/46/35/40/417463540.db2.gz TUEPOKUDTOFALV-ZDUSSCGKSA-N 1 0 310.394 0.366 10 0 DCAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)COCc1nncn1C ZINC000452341687 417467102 /nfs/dbraw/zinc/46/71/02/417467102.db2.gz DHPKFVYPYPAQBI-AWEZNQCLSA-N 1 0 323.441 0.958 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)CN2CCCCC2)CC1 ZINC000634955722 417548859 /nfs/dbraw/zinc/54/88/59/417548859.db2.gz OPEMOYFMSSENPO-KGLIPLIRSA-N 1 0 304.456 0.390 10 0 DCAERO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)CN1CCOCC1 ZINC000634962975 417551140 /nfs/dbraw/zinc/55/11/40/417551140.db2.gz GNISEJKJKJLZNZ-UONOGXRCSA-N 1 0 304.456 0.512 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000622987188 417520925 /nfs/dbraw/zinc/52/09/25/417520925.db2.gz 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/nfs/dbraw/zinc/11/72/70/261117270.db2.gz MRQTYGOVSLAGOR-UHFFFAOYSA-N 1 0 313.423 0.428 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000188022301 261125794 /nfs/dbraw/zinc/12/57/94/261125794.db2.gz LJVFGMRFZXYZBB-BBRMVZONSA-N 1 0 311.426 0.160 10 0 DCAERO CO[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[C@H]1C ZINC000189351182 261131992 /nfs/dbraw/zinc/13/19/92/261131992.db2.gz RBVHWUASIQNCQO-HIFRSBDPSA-N 1 0 323.437 0.424 10 0 DCAERO CCn1nc(C)c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1C ZINC000189804269 261133299 /nfs/dbraw/zinc/13/32/99/261133299.db2.gz JFKNXXWTRBHIQD-UHFFFAOYSA-N 1 0 319.409 0.765 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000194139062 261145090 /nfs/dbraw/zinc/14/50/90/261145090.db2.gz HDOCAWQLIBFCJK-CYBMUJFWSA-N 1 0 312.414 0.019 10 0 DCAERO COc1cccc([C@H](CNC(=O)[C@H]2CNC(=O)C2)[NH+](C)C)c1 ZINC000194860587 261148615 /nfs/dbraw/zinc/14/86/15/261148615.db2.gz WKNITMMEVNPHLD-OCCSQVGLSA-N 1 0 305.378 0.550 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000361926463 261978359 /nfs/dbraw/zinc/97/83/59/261978359.db2.gz NERFEUOQVADFHW-UHFFFAOYSA-N 1 0 309.414 0.986 10 0 DCAERO COCCN1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358645542 271062510 /nfs/dbraw/zinc/06/25/10/271062510.db2.gz CWKINBYQPLOPDD-UHFFFAOYSA-N 1 0 310.442 0.612 10 0 DCAERO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000359009298 271088053 /nfs/dbraw/zinc/08/80/53/271088053.db2.gz YZLBOPKKFDNNQA-YUELXQCFSA-N 1 0 308.426 0.875 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCC(C)CC1 ZINC000458041347 271941575 /nfs/dbraw/zinc/94/15/75/271941575.db2.gz DABUUYSKRVJGOT-KBPBESRZSA-N 1 0 324.429 0.059 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000466496467 272026397 /nfs/dbraw/zinc/02/63/97/272026397.db2.gz SQSUALTXNPMQGZ-RDBSUJKOSA-N 1 0 300.447 0.735 10 0 DCAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000488737220 272049727 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CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC000329376853 276234472 /nfs/dbraw/zinc/23/44/72/276234472.db2.gz LQAQAXQKHKSJPF-VBNZEHGJSA-N 1 0 318.421 0.836 10 0 DCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C3CC3)C(=O)C2)C1(C)C ZINC000261720691 276356287 /nfs/dbraw/zinc/35/62/87/276356287.db2.gz FBEKKJQYFXIWKI-WBMJQRKESA-N 1 0 309.410 0.352 10 0 DCAERO CNS(=O)(=O)N1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000408199371 277035781 /nfs/dbraw/zinc/03/57/81/277035781.db2.gz RKGUKMFXLJWGGH-UHFFFAOYSA-N 1 0 305.444 0.009 10 0 DCAERO CC(C)(C)OC(=O)N1CCS(=O)(=O)C2(CC[NH2+]CC2)C1 ZINC000091303074 277190000 /nfs/dbraw/zinc/19/00/00/277190000.db2.gz FEAYSJIFYGMBMC-UHFFFAOYSA-N 1 0 304.412 0.774 10 0 DCAERO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(N)=O ZINC000081625578 277253005 /nfs/dbraw/zinc/25/30/05/277253005.db2.gz MXQBWXZFGFNHJJ-OUCADQQQSA-N 1 0 311.426 0.646 10 0 DCAERO CC(C)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000174943356 277622517 /nfs/dbraw/zinc/62/25/17/277622517.db2.gz QJPIWRVMDDYZBX-UONOGXRCSA-N 1 0 306.410 0.651 10 0 DCAERO CC(=O)N1CCC(NC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000546547062 288018380 /nfs/dbraw/zinc/01/83/80/288018380.db2.gz ZIIVXRVKNHWWKS-UHFFFAOYSA-N 1 0 308.426 0.949 10 0 DCAERO CC1(C)C[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C(C)(C)O1 ZINC000119691486 278388430 /nfs/dbraw/zinc/38/84/30/278388430.db2.gz AOSFFKIDEOAEQA-RYUDHWBXSA-N 1 0 311.426 0.646 10 0 DCAERO COC(=O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)nc1OC ZINC000547824958 288082805 /nfs/dbraw/zinc/08/28/05/288082805.db2.gz CPFFDIQCYPSVLK-UHFFFAOYSA-N 1 0 323.393 0.770 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000548060497 288107503 /nfs/dbraw/zinc/10/75/03/288107503.db2.gz CIGVRIIMGYXOGT-VBQJREDUSA-N 1 0 319.405 0.342 10 0 DCAERO C[C@H]1CC[N@H+](CCNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000548064048 288108379 /nfs/dbraw/zinc/10/83/79/288108379.db2.gz LOABCFSBWULUMN-XJKSGUPXSA-N 1 0 307.394 0.057 10 0 DCAERO C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)CN1CCOCC1 ZINC000172623446 279329521 /nfs/dbraw/zinc/32/95/21/279329521.db2.gz OXQSPIOCNZFACR-OAHLLOKOSA-N 1 0 324.469 0.834 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cn1 ZINC000261933517 279350259 /nfs/dbraw/zinc/35/02/59/279350259.db2.gz MACLWZUSGHEVKF-NPJQDHAYSA-N 1 0 318.421 0.797 10 0 DCAERO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000548603852 288158913 /nfs/dbraw/zinc/15/89/13/288158913.db2.gz XLCKBYQVIVVGNF-RDBSUJKOSA-N 1 0 316.442 0.778 10 0 DCAERO C[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C1=CC[N@H+](C)CC1 ZINC000548720275 288170603 /nfs/dbraw/zinc/17/06/03/288170603.db2.gz CGDWLVZVUYWXFJ-DYVFJYSZSA-N 1 0 319.405 0.366 10 0 DCAERO O=C(N[C@H]1CCOc2ccccc21)N1CCOC2(C[NH2+]C2)C1 ZINC000333461275 279978013 /nfs/dbraw/zinc/97/80/13/279978013.db2.gz ZDPXGBSNHQRPMQ-ZDUSSCGKSA-N 1 0 303.362 0.894 10 0 DCAERO C[C@](C[NH3+])(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000133753407 280140427 /nfs/dbraw/zinc/14/04/27/280140427.db2.gz YNVHPCFBCDIYJL-CQSZACIVSA-N 1 0 312.391 0.864 10 0 DCAERO O=S1(=O)CCN(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000155900897 280346565 /nfs/dbraw/zinc/34/65/65/280346565.db2.gz UHGJLQGJEBDPMS-GJZGRUSLSA-N 1 0 316.467 0.485 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000245439279 281196771 /nfs/dbraw/zinc/19/67/71/281196771.db2.gz SRTAJNZGORDULG-RYUDHWBXSA-N 1 0 322.409 0.402 10 0 DCAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333827524 289326961 /nfs/dbraw/zinc/32/69/61/289326961.db2.gz ITPYDHZGYOTBKH-VZAMPYOESA-N 1 0 303.406 0.617 10 0 DCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000185392425 295298084 /nfs/dbraw/zinc/29/80/84/295298084.db2.gz DFFXHVAIRIFPMR-MNOVXSKESA-N 1 0 308.382 0.237 10 0 DCAERO [NH3+][C@H](CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1)C1CC1 ZINC000261951586 295331615 /nfs/dbraw/zinc/33/16/15/295331615.db2.gz PQBCGSPBFUZRFI-MGPQQGTHSA-N 1 0 309.410 0.400 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000333493861 300321806 /nfs/dbraw/zinc/32/18/06/300321806.db2.gz CPVUBCSZUBXJGV-KBPBESRZSA-N 1 0 323.441 0.670 10 0 DCAERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000333481753 300379828 /nfs/dbraw/zinc/37/98/28/300379828.db2.gz BNBSLBXUFCPZCX-FIQHERPVSA-N 1 0 303.428 0.188 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000230851904 303049379 /nfs/dbraw/zinc/04/93/79/303049379.db2.gz GFTPZVGCZGEZPJ-SECBINFHSA-N 1 0 306.819 0.966 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cn2ccnc2s1 ZINC000188458920 333046672 /nfs/dbraw/zinc/04/66/72/333046672.db2.gz QTNKRQBMCBRNED-NSHDSACASA-N 1 0 307.423 0.762 10 0 DCAERO OCC[NH+]1CCN(CCC2=N[C@H](c3ccccc3)NO2)CC1 ZINC000584620981 337374859 /nfs/dbraw/zinc/37/48/59/337374859.db2.gz ZKJDZWKZTJFINB-INIZCTEOSA-N 1 0 304.394 0.619 10 0 DCAERO COC[C@@H](C)C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000191836755 338685553 /nfs/dbraw/zinc/68/55/53/338685553.db2.gz 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WEQAVXNDSLZZIH-UHFFFAOYSA-N 1 0 314.393 0.076 10 0 DCAERO COc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000261813555 396069013 /nfs/dbraw/zinc/06/90/13/396069013.db2.gz AAEXQVSCMSWEBA-UHFFFAOYSA-N 1 0 309.341 0.338 10 0 DCAERO CC[C@H](O)CN1C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000249124902 396003026 /nfs/dbraw/zinc/00/30/26/396003026.db2.gz BIKVFJZLGXULHU-RRFJBIMHSA-N 1 0 302.374 0.874 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000152434134 396008817 /nfs/dbraw/zinc/00/88/17/396008817.db2.gz PIABUIZGSFVOEZ-OLZOCXBDSA-N 1 0 312.414 0.003 10 0 DCAERO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000152812884 396015491 /nfs/dbraw/zinc/01/54/91/396015491.db2.gz DUTCRQNGCKNCCQ-UWVGGRQHSA-N 1 0 323.315 0.875 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 ZINC000261991126 396087539 /nfs/dbraw/zinc/08/75/39/396087539.db2.gz MTLZTTBMDVNPPE-UONOGXRCSA-N 1 0 319.409 0.316 10 0 DCAERO COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262015573 396090832 /nfs/dbraw/zinc/09/08/32/396090832.db2.gz WXKZLAGCXKKPIW-QWRGUYRKSA-N 1 0 310.350 0.051 10 0 DCAERO CN(C)[C@@H]1C[N@@H+](C2CCOCC2)CC[C@@H]1CNC(=O)C1CC1 ZINC000169788869 396092730 /nfs/dbraw/zinc/09/27/30/396092730.db2.gz XDSUPSHEHKDKSY-GDBMZVCRSA-N 1 0 309.454 0.944 10 0 DCAERO CN1C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2C1=O ZINC000170856130 396098509 /nfs/dbraw/zinc/09/85/09/396098509.db2.gz JSEPIGHMKVHZKY-LLVKDONJSA-N 1 0 301.346 0.689 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000262106520 396099586 /nfs/dbraw/zinc/09/95/86/396099586.db2.gz ZRNKULSRVDFSNL-NEPJUHHUSA-N 1 0 305.378 0.621 10 0 DCAERO CCOC(=O)c1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460973 396102161 /nfs/dbraw/zinc/10/21/61/396102161.db2.gz JLCPERSJXURVMF-UHFFFAOYSA-N 1 0 315.377 0.849 10 0 DCAERO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262156917 396104964 /nfs/dbraw/zinc/10/49/64/396104964.db2.gz XSWDWMNEXLQMNY-HZSPNIEDSA-N 1 0 311.426 0.504 10 0 DCAERO [NH3+]CC1(C(=O)N2CCC(Cn3cccn3)CC2)CCOCC1 ZINC000262223438 396112218 /nfs/dbraw/zinc/11/22/18/396112218.db2.gz JRAVUYBUCKIJNW-UHFFFAOYSA-N 1 0 306.410 0.877 10 0 DCAERO C[C@H](C[NH3+])C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000262251481 396115310 /nfs/dbraw/zinc/11/53/10/396115310.db2.gz SPWGFCQUKWTCJZ-SECBINFHSA-N 1 0 315.370 0.899 10 0 DCAERO O=S(=O)(NCCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171526558 396117933 /nfs/dbraw/zinc/11/79/33/396117933.db2.gz JZIITSQDJIGHCL-CQSZACIVSA-N 1 0 309.435 0.745 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173100757 396134157 /nfs/dbraw/zinc/13/41/57/396134157.db2.gz VUUSKNLJMAEQFS-NSHDSACASA-N 1 0 305.444 0.305 10 0 DCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262392585 396134869 /nfs/dbraw/zinc/13/48/69/396134869.db2.gz BKPKTTIKHBTGEF-KZTGVZKYSA-N 1 0 312.410 0.786 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@H]([NH3+])C2CC2)[C@H]1c1cccnc1 ZINC000261916137 396078792 /nfs/dbraw/zinc/07/87/92/396078792.db2.gz HZIWQEWUUDKGDJ-KCQAQPDRSA-N 1 0 302.378 0.455 10 0 DCAERO COc1cc(NC(=O)[C@@H]([NH3+])C2CCOCC2)ccc1NC(N)=O ZINC000261922615 396079245 /nfs/dbraw/zinc/07/92/45/396079245.db2.gz YVGJZMRCFYERTA-ZDUSSCGKSA-N 1 0 322.365 0.878 10 0 DCAERO Cc1ccc(C)c(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261919582 396079359 /nfs/dbraw/zinc/07/93/59/396079359.db2.gz HSJDSTGZWCGKRM-UHFFFAOYSA-N 1 0 303.406 0.736 10 0 DCAERO CC[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CCN1CCOC ZINC000261950620 396083530 /nfs/dbraw/zinc/08/35/30/396083530.db2.gz KBUGOLYUCPNZLZ-LSDHHAIUSA-N 1 0 313.442 0.310 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(C(=O)NCc2ccc(F)cc2)n1 ZINC000263231607 396207838 /nfs/dbraw/zinc/20/78/38/396207838.db2.gz NNAPJZVUHFMDNL-GFCCVEGCSA-N 1 0 319.340 0.715 10 0 DCAERO CCCCn1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178881079 396212834 /nfs/dbraw/zinc/21/28/34/396212834.db2.gz MXUBTMYHYJFOIQ-ZDUSSCGKSA-N 1 0 319.409 0.928 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2S(C)(=O)=O)n1 ZINC000263251837 396209426 /nfs/dbraw/zinc/20/94/26/396209426.db2.gz QAHUSNPYYXFOKI-NSHDSACASA-N 1 0 322.390 0.716 10 0 DCAERO O=C(NCc1ccnc(N2CCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262530547 396151526 /nfs/dbraw/zinc/15/15/26/396151526.db2.gz PMZSKAVEDDKFEY-KBPBESRZSA-N 1 0 304.394 0.411 10 0 DCAERO Cc1nn(C)c2ncc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc12 ZINC000263262201 396210202 /nfs/dbraw/zinc/21/02/02/396210202.db2.gz RCPVHVNZJUZMIK-LBPRGKRZSA-N 1 0 313.365 0.903 10 0 DCAERO COc1cc(OC)cc(N2CC[C@H](NC(=O)C3C[NH2+]C3)C2)c1 ZINC000263263698 396210565 /nfs/dbraw/zinc/21/05/65/396210565.db2.gz GWXFHIXRNMFPCX-LBPRGKRZSA-N 1 0 305.378 0.618 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1=O ZINC000262734439 396177179 /nfs/dbraw/zinc/17/71/79/396177179.db2.gz IHDVJIADPPROKJ-STQMWFEESA-N 1 0 316.405 0.937 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1=O ZINC000262786574 396182422 /nfs/dbraw/zinc/18/24/22/396182422.db2.gz MPQUDSJVUURNIY-WDEREUQCSA-N 1 0 310.398 0.211 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262802909 396183625 /nfs/dbraw/zinc/18/36/25/396183625.db2.gz VXJZTUXSMGPAOQ-ZWNOBZJWSA-N 1 0 312.391 0.750 10 0 DCAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000075649934 396184438 /nfs/dbraw/zinc/18/44/38/396184438.db2.gz PRMKNBXWIXHMRT-LBPRGKRZSA-N 1 0 300.362 0.861 10 0 DCAERO Cc1cnn(CCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262822314 396185558 /nfs/dbraw/zinc/18/55/58/396185558.db2.gz RHTQPKOVBLUZEZ-ZDUSSCGKSA-N 1 0 302.382 0.743 10 0 DCAERO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263002810 396196983 /nfs/dbraw/zinc/19/69/83/396196983.db2.gz OXUCKTFPDJFQRT-ZDUSSCGKSA-N 1 0 319.396 0.989 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263025962 396198292 /nfs/dbraw/zinc/19/82/92/396198292.db2.gz RKHZBIIHDLJOHZ-NWDGAFQWSA-N 1 0 305.369 0.457 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2-n2cnnn2)n1 ZINC000263153328 396203797 /nfs/dbraw/zinc/20/37/97/396203797.db2.gz DFNOXQMSUIDDBE-LBPRGKRZSA-N 1 0 312.337 0.288 10 0 DCAERO COc1cccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263171388 396204587 /nfs/dbraw/zinc/20/45/87/396204587.db2.gz FUKKKDUCXKYZSB-MNOVXSKESA-N 1 0 302.321 0.967 10 0 DCAERO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000281677137 396234457 /nfs/dbraw/zinc/23/44/57/396234457.db2.gz RGKWJONMVQVTPX-JQWIXIFHSA-N 1 0 302.396 0.382 10 0 DCAERO CNC(=O)[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000181658059 396240618 /nfs/dbraw/zinc/24/06/18/396240618.db2.gz PQJRCTDWBZOXEZ-OLZOCXBDSA-N 1 0 314.430 0.119 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000182393829 396249856 /nfs/dbraw/zinc/24/98/56/396249856.db2.gz RAWHUWRKEJSPLZ-SNVBAGLBSA-N 1 0 303.366 0.801 10 0 DCAERO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000183169596 396263927 /nfs/dbraw/zinc/26/39/27/396263927.db2.gz UGNLUSHVYKRZDC-BXUZGUMPSA-N 1 0 314.407 0.870 10 0 DCAERO CCC[C@@H](C(=O)NCC1(C(=O)OC)CCOCC1)[NH+](C)C ZINC000183804807 396275470 /nfs/dbraw/zinc/27/54/70/396275470.db2.gz JLMUOKNODGDDOE-LBPRGKRZSA-N 1 0 300.399 0.803 10 0 DCAERO CCOC(=O)c1cn(C)nc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184008321 396280747 /nfs/dbraw/zinc/28/07/47/396280747.db2.gz ZNVNYJJLNVNEIB-LLVKDONJSA-N 1 0 321.381 0.909 10 0 DCAERO CCOC(=O)c1cn(C)nc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184008338 396280796 /nfs/dbraw/zinc/28/07/96/396280796.db2.gz ZNVNYJJLNVNEIB-NSHDSACASA-N 1 0 321.381 0.909 10 0 DCAERO COCCCCS(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185047873 396315845 /nfs/dbraw/zinc/31/58/45/396315845.db2.gz DSCJULCVNDEILE-UHFFFAOYSA-N 1 0 321.487 0.358 10 0 DCAERO CCN(CCO)CC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000186577832 396352647 /nfs/dbraw/zinc/35/26/47/396352647.db2.gz JAPSYBFWEFHYEE-UHFFFAOYSA-N 1 0 306.454 0.950 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186559283 396352764 /nfs/dbraw/zinc/35/27/64/396352764.db2.gz CZUKHJFDZVAKAN-LBPRGKRZSA-N 1 0 317.455 0.401 10 0 DCAERO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000186724842 396356059 /nfs/dbraw/zinc/35/60/59/396356059.db2.gz IAPVDZYDNFFHHL-AAEUAGOBSA-N 1 0 317.455 0.162 10 0 DCAERO Cc1cc(N2CC[C@@H](N(C)CC[N@H+](C)C3CC3)C2=O)n(C)n1 ZINC000186731867 396356706 /nfs/dbraw/zinc/35/67/06/396356706.db2.gz AWYJTNKERKRRGF-CQSZACIVSA-N 1 0 305.426 0.860 10 0 DCAERO Cc1cccn2c1ncc(C(=O)N1C[C@@H]3CC[C@H]([NH3+])[C@@H]3C1)c2=O ZINC000186938761 396360082 /nfs/dbraw/zinc/36/00/82/396360082.db2.gz UJIBPWAIDSNTEI-YUTCNCBUSA-N 1 0 312.373 0.812 10 0 DCAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000187096951 396362833 /nfs/dbraw/zinc/36/28/33/396362833.db2.gz JBQNNYYRJMEJNB-ZIAGYGMSSA-N 1 0 321.425 0.792 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187438461 396369907 /nfs/dbraw/zinc/36/99/07/396369907.db2.gz NXAOIERPIOKNAI-GXTWGEPZSA-N 1 0 308.426 0.779 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)c1cc2c(cn1)nc[nH]c2=O ZINC000187488633 396370308 /nfs/dbraw/zinc/37/03/08/396370308.db2.gz DJBHIVILFSMRJO-UHFFFAOYSA-N 1 0 315.377 0.924 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000186496485 396351149 /nfs/dbraw/zinc/35/11/49/396351149.db2.gz GXTGBSIEGPMEMV-SCDSUCTJSA-N 1 0 318.377 0.392 10 0 DCAERO CC(=O)N1CC(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000188296469 396381244 /nfs/dbraw/zinc/38/12/44/396381244.db2.gz ODEANOLCQWXURA-LBPRGKRZSA-N 1 0 309.410 0.176 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000193067248 396443104 /nfs/dbraw/zinc/44/31/04/396443104.db2.gz MGYVJGKPWFMSOM-RWMBFGLXSA-N 1 0 300.399 0.563 10 0 DCAERO C[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1n1ccnc1 ZINC000188948834 396389224 /nfs/dbraw/zinc/38/92/24/396389224.db2.gz FKHADGJSNCNDKL-FZMZJTMJSA-N 1 0 314.393 0.975 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000189036105 396389946 /nfs/dbraw/zinc/38/99/46/396389946.db2.gz NNYZQFFEYAKPSK-MGPQQGTHSA-N 1 0 313.442 0.451 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310.442 0.966 10 0 DCAERO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000262207376 158785171 /nfs/dbraw/zinc/78/51/71/158785171.db2.gz IIMYVSAWKIVOEJ-ZFWWWQNUSA-N 1 0 322.453 0.045 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ncccc1OCC(F)(F)F ZINC000262222036 158786230 /nfs/dbraw/zinc/78/62/30/158786230.db2.gz JONMBUSWDNFVPH-BDAKNGLRSA-N 1 0 319.283 0.333 10 0 DCAERO O=C(NCc1ccc(Br)c(F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262457024 158815363 /nfs/dbraw/zinc/81/53/63/158815363.db2.gz FHNPDYLIKKONFH-LDYMZIIASA-N 1 0 317.158 0.927 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000262698678 158834392 /nfs/dbraw/zinc/83/43/92/158834392.db2.gz AFXIRSHNXQZTNP-RYUDHWBXSA-N 1 0 322.409 0.355 10 0 DCAERO C[C@H]1C[C@H](NC(=O)CCn2nc3ccccn3c2=O)CC[NH2+]1 ZINC000262959637 158850364 /nfs/dbraw/zinc/85/03/64/158850364.db2.gz WKCFXMVUWLEDFY-NWDGAFQWSA-N 1 0 303.366 0.143 10 0 DCAERO Cc1cc(C)cc(-n2ncc(CNC[C@H]3C[NH2+]C[C@@H]3O)n2)c1 ZINC000263221698 158863687 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CS[C@@H]1CN(C(=O)C[C@@H]2CCCCNC2=O)C[C@@H]1[NH+](C)C ZINC000374217962 159723822 /nfs/dbraw/zinc/72/38/22/159723822.db2.gz QLLJDCMCMKPKLU-RWMBFGLXSA-N 1 0 313.467 0.797 10 0 DCAERO C[C@H](O)C(=O)N1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000407996732 160006169 /nfs/dbraw/zinc/00/61/69/160006169.db2.gz TYCTYSIOAPAIKA-KBPBESRZSA-N 1 0 311.426 0.303 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000408011410 160010366 /nfs/dbraw/zinc/01/03/66/160010366.db2.gz WYZWSZRIEUCACZ-CQSZACIVSA-N 1 0 319.471 0.446 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)N(C)CC(C)C)[N@H+](C)C1 ZINC000408029751 160015746 /nfs/dbraw/zinc/01/57/46/160015746.db2.gz YLPPWLZBKZITNM-STQMWFEESA-N 1 0 307.460 0.470 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@@H]2C1 ZINC000408043886 160020774 /nfs/dbraw/zinc/02/07/74/160020774.db2.gz RUJJEJWXXSBKKO-KGLIPLIRSA-N 1 0 318.377 0.722 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@@H]2C1 ZINC000408043888 160021444 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ZINC000542706670 416627188 /nfs/dbraw/zinc/62/71/88/416627188.db2.gz ISCBYZXYKUAUDW-UHFFFAOYSA-N 1 0 322.413 0.577 10 0 DCAERO COc1ccc(CN(C)C(=O)C[N@H+](C)CCCO)cc1OC ZINC000440940591 416653465 /nfs/dbraw/zinc/65/34/65/416653465.db2.gz HNFXPONYUVLSTK-UHFFFAOYSA-N 1 0 310.394 0.976 10 0 DCAERO CO[C@@H](C)[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000514698694 416672310 /nfs/dbraw/zinc/67/23/10/416672310.db2.gz DGWKSRWVVYWVPG-AGIUHOORSA-N 1 0 314.430 0.296 10 0 DCAERO C[C@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C)C(=O)N(C)C ZINC000368832496 416698584 /nfs/dbraw/zinc/69/85/84/416698584.db2.gz FGHLWZFSBDHORM-STQMWFEESA-N 1 0 311.426 0.470 10 0 DCAERO CC[NH+](CC)CCSCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000369389406 416762259 /nfs/dbraw/zinc/76/22/59/416762259.db2.gz OUXBDFVEWBVVPN-CQSZACIVSA-N 1 0 315.483 0.604 10 0 DCAERO Cn1ncc(Br)c1CN1CCC([NH2+]CCO)CC1 ZINC000631861476 416771941 /nfs/dbraw/zinc/77/19/41/416771941.db2.gz CEQOMOFGTLPRCT-UHFFFAOYSA-N 1 0 317.231 0.729 10 0 DCAERO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1CCC[C@H](O)C1 ZINC000369781203 416828165 /nfs/dbraw/zinc/82/81/65/416828165.db2.gz BQVZPHVWCLOYKL-HNNXBMFYSA-N 1 0 306.410 0.966 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000369807156 416829461 /nfs/dbraw/zinc/82/94/61/416829461.db2.gz AKRUEBNPJZTNDM-QWHCGFSZSA-N 1 0 312.414 0.017 10 0 DCAERO Cc1cc(F)ccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624386435 417023778 /nfs/dbraw/zinc/02/37/78/417023778.db2.gz JZNUPCSZRMIMCK-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000447397156 416997938 /nfs/dbraw/zinc/99/79/38/416997938.db2.gz YXIPFNDDMVRTHV-IJLUTSLNSA-N 1 0 315.332 0.646 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616635742 417086098 /nfs/dbraw/zinc/08/60/98/417086098.db2.gz LDFJYONZRCTCOZ-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO [NH3+]CC1(O)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000396993641 417107414 /nfs/dbraw/zinc/10/74/14/417107414.db2.gz HUNOGKRKIRBWON-UHFFFAOYSA-N 1 0 322.789 0.953 10 0 DCAERO Cc1ncc(CN(C)S(=O)(=O)C[C@@H]2C[NH2+]CCO2)s1 ZINC000400135427 417109328 /nfs/dbraw/zinc/10/93/28/417109328.db2.gz XFIIHDMYKPSWCN-JTQLQIEISA-N 1 0 305.425 0.202 10 0 DCAERO [NH3+]C[C@H]1CN(C(=O)c2nscc2Br)CCO1 ZINC000404791154 417121176 /nfs/dbraw/zinc/12/11/76/417121176.db2.gz FBWDBKZHGZZAOQ-LURJTMIESA-N 1 0 306.185 0.705 10 0 DCAERO C[C@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1[NH+](C)C ZINC000407951221 417129056 /nfs/dbraw/zinc/12/90/56/417129056.db2.gz RRVITDWZURBDKX-STQMWFEESA-N 1 0 308.426 0.733 10 0 DCAERO O=C(Nc1cc(C(F)(F)F)n[nH]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408034014 417132087 /nfs/dbraw/zinc/13/20/87/417132087.db2.gz CJYATTZYHIPALP-MRVPVSSYSA-N 1 0 303.288 0.757 10 0 DCAERO CCOC(=O)C1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000408077252 417139608 /nfs/dbraw/zinc/13/96/08/417139608.db2.gz VKUMAQDZFOMUJS-CHWSQXEVSA-N 1 0 312.410 0.897 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@@H]3CC[NH2+][C@H]3C)[C@@H]2C1 ZINC000627039331 417217277 /nfs/dbraw/zinc/21/72/77/417217277.db2.gz GUMHUYGLUFDBMN-MQFWEAQZSA-N 1 0 308.426 0.683 10 0 DCAERO CNc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc2ccccc21 ZINC000450448372 417227846 /nfs/dbraw/zinc/22/78/46/417227846.db2.gz AOEMJOCMMODUHV-GFCCVEGCSA-N 1 0 301.394 1.174 10 0 DCAERO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000528047456 417296689 /nfs/dbraw/zinc/29/66/89/417296689.db2.gz LDLPVKMCGZCFBO-XQQFMLRXSA-N 1 0 305.444 0.270 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CC12COC2 ZINC000451131956 417300383 /nfs/dbraw/zinc/30/03/83/417300383.db2.gz HXEVBNOKMBPEGW-CHWSQXEVSA-N 1 0 312.410 0.753 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)CC)CC12COC2 ZINC000451128200 417301112 /nfs/dbraw/zinc/30/11/12/417301112.db2.gz BGQFHVPOCSVGOT-UPJWGTAASA-N 1 0 312.410 0.801 10 0 DCAERO CC(=O)N1CC[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000621846761 417322803 /nfs/dbraw/zinc/32/28/03/417322803.db2.gz JJALDFOOJOLGNA-OAHLLOKOSA-N 1 0 319.409 0.481 10 0 DCAERO CN1C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000638419017 417448890 /nfs/dbraw/zinc/44/88/90/417448890.db2.gz DLFXINCLYDRMCS-CABCVRRESA-N 1 0 318.421 0.040 10 0 DCAERO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c[nH]1 ZINC000452343460 417470279 /nfs/dbraw/zinc/47/02/79/417470279.db2.gz KZPMVVKHWLDLEC-GFCCVEGCSA-N 1 0 309.366 0.378 10 0 DCAERO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000575344467 417529775 /nfs/dbraw/zinc/52/97/75/417529775.db2.gz GEWKBGYVQQTKOJ-NSHDSACASA-N 1 0 301.350 0.341 10 0 DCAERO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)CN1CCOCC1 ZINC000634962973 417550220 /nfs/dbraw/zinc/55/02/20/417550220.db2.gz GNISEJKJKJLZNZ-KBPBESRZSA-N 1 0 304.456 0.512 10 0 DCAERO c1nnc2ccc(N3CC[C@@H]([NH2+]CC[C@@H]4CCOC4)C3)nn12 ZINC000628424976 417618444 /nfs/dbraw/zinc/61/84/44/417618444.db2.gz XLFZQRUWJDHQQN-CHWSQXEVSA-N 1 0 302.382 0.719 10 0 DCAERO CC(C)(C)c1nnc2ccc(NC[C@@H]3C[NH2+]CCCO3)nn21 ZINC000579817518 417694147 /nfs/dbraw/zinc/69/41/47/417694147.db2.gz MZDCEWWNTKSZRL-NSHDSACASA-N 1 0 304.398 1.212 10 0 DCAERO C[C@H]1CC(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[C@H](C)C1 ZINC000662629637 417827117 /nfs/dbraw/zinc/82/71/17/417827117.db2.gz WFFATNUIPVFJLC-NQBHXWOUSA-N 1 0 304.456 0.937 10 0 DCAERO C[C@H]1CN(C2CC2)CC[N@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000630048242 417812155 /nfs/dbraw/zinc/81/21/55/417812155.db2.gz YZXUUSUPLFEZGN-ZBFHGGJFSA-N 1 0 312.454 0.695 10 0 DCAERO Cc1cnccc1CC[N@@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000645929907 417822075 /nfs/dbraw/zinc/82/20/75/417822075.db2.gz RWRGQKXKTPHTSR-CYBMUJFWSA-N 1 0 300.366 0.570 10 0 DCAERO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743304 417881268 /nfs/dbraw/zinc/88/12/68/417881268.db2.gz XDLVCZKTPDYCJY-IRXDYDNUSA-N 1 0 316.449 0.528 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ncccc1Br ZINC000647040337 417976499 /nfs/dbraw/zinc/97/64/99/417976499.db2.gz ULCSVTAQDGGSOZ-APPZFPTMSA-N 1 0 300.156 0.154 10 0 DCAERO C[NH2+]C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000663279364 418006874 /nfs/dbraw/zinc/00/68/74/418006874.db2.gz QNHVOMBJNJBYQR-SECBINFHSA-N 1 0 320.436 0.513 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)Nc1cc(CCOC)nn1C ZINC000185457713 261120425 /nfs/dbraw/zinc/12/04/25/261120425.db2.gz NOWOBFBGFJLNDH-UHFFFAOYSA-N 1 0 313.402 0.045 10 0 DCAERO Cc1cc(COCC(=O)Nc2ccn(CC[NH+](C)C)n2)on1 ZINC000193531262 261142340 /nfs/dbraw/zinc/14/23/40/261142340.db2.gz VMGDQIJDJUSYNB-UHFFFAOYSA-N 1 0 307.354 0.896 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000194152768 261144648 /nfs/dbraw/zinc/14/46/48/261144648.db2.gz CYGPPNKCAPBZOQ-ZDUSSCGKSA-N 1 0 318.377 0.325 10 0 DCAERO CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518930 261152275 /nfs/dbraw/zinc/15/22/75/261152275.db2.gz QZEXDSFMMXYMSR-GFCCVEGCSA-N 1 0 321.425 0.368 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCN1CCO ZINC000250121732 261166599 /nfs/dbraw/zinc/16/65/99/261166599.db2.gz 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/nfs/dbraw/zinc/32/61/74/278326174.db2.gz BXLBIXPKYDBLIV-GFCCVEGCSA-N 1 0 300.362 0.894 10 0 DCAERO CCN(CC)C(=O)CN1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193295288 279068117 /nfs/dbraw/zinc/06/81/17/279068117.db2.gz YTPIWBMURPTONW-AWEZNQCLSA-N 1 0 312.458 0.517 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000332927160 288129134 /nfs/dbraw/zinc/12/91/34/288129134.db2.gz JJYFSOBZBGOZPT-FPQZTECRSA-N 1 0 310.398 0.803 10 0 DCAERO Cc1ccn(C[C@@](C)(O)C(=O)N(C)CCC[NH+](C)C)c(=O)c1 ZINC000548392533 288139313 /nfs/dbraw/zinc/13/93/13/288139313.db2.gz BFVTYZBPHZSXGH-MRXNPFEDSA-N 1 0 309.410 0.318 10 0 DCAERO C[C@H]1CN(C(=O)c2cn3cccnc3n2)CC[N@@H+]1CC(C)(C)O ZINC000548713682 288169605 /nfs/dbraw/zinc/16/96/05/288169605.db2.gz YVMAKEVSSLTNDY-LBPRGKRZSA-N 1 0 317.393 0.647 10 0 DCAERO CCOc1ncccc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000550540729 288216895 /nfs/dbraw/zinc/21/68/95/288216895.db2.gz MKDXXMCWAJRNCL-UHFFFAOYSA-N 1 0 322.409 0.507 10 0 DCAERO 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/nfs/dbraw/zinc/11/07/52/290110752.db2.gz PQOPHMPZXAPMTL-STQMWFEESA-N 1 0 306.410 0.675 10 0 DCAERO CO[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000261826887 294170318 /nfs/dbraw/zinc/17/03/18/294170318.db2.gz BEUBRRTZHXYMRK-HNNXBMFYSA-N 1 0 305.378 0.264 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000261859052 294300885 /nfs/dbraw/zinc/30/08/85/294300885.db2.gz BYFJHHCXLUZUMD-QPSCCSFWSA-N 1 0 304.394 0.503 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000371865191 295619530 /nfs/dbraw/zinc/61/95/30/295619530.db2.gz SFMXRVVLBDUETQ-OAHLLOKOSA-N 1 0 308.426 0.339 10 0 DCAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333827522 298114660 /nfs/dbraw/zinc/11/46/60/298114660.db2.gz ITPYDHZGYOTBKH-MPTQWLOMSA-N 1 0 303.406 0.617 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000262777452 300326257 /nfs/dbraw/zinc/32/62/57/300326257.db2.gz OCRRYPAVKDLKIY-WDEREUQCSA-N 1 0 312.391 0.734 10 0 DCAERO 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/nfs/dbraw/zinc/26/04/44/336260444.db2.gz PCVMSPJVMPTBSX-RRFJBIMHSA-N 1 0 323.437 0.757 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246374914 520622077 /nfs/dbraw/zinc/62/20/77/520622077.db2.gz RCJKOPDZIWDQMQ-CHWSQXEVSA-N 1 0 307.460 0.662 10 0 DCAERO Cc1cnc(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000299739844 534554941 /nfs/dbraw/zinc/55/49/41/534554941.db2.gz RXQOAFRCCKPTMK-SNVBAGLBSA-N 1 0 306.395 0.898 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925843 521714577 /nfs/dbraw/zinc/71/45/77/521714577.db2.gz VZSODMCUPNRJBV-ZIAGYGMSSA-N 1 0 301.431 0.180 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000245996576 521835618 /nfs/dbraw/zinc/83/56/18/521835618.db2.gz RJGZGCMUXFQKQZ-YWPYICTPSA-N 1 0 320.441 0.977 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(c2nnc(Cl)cc2C(N)=O)CC1 ZINC000267007147 522555555 /nfs/dbraw/zinc/55/55/55/522555555.db2.gz GYNRPEPHCBTKSG-VIFPVBQESA-N 1 0 313.789 0.122 10 0 DCAERO 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BYFJMSVYWHETJD-UHFFFAOYSA-N 1 0 307.442 0.495 10 0 DCAERO Cc1cc(C)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(=O)[nH]1 ZINC000266949167 524225163 /nfs/dbraw/zinc/22/51/63/524225163.db2.gz XBLJCSANYKYCIB-STQMWFEESA-N 1 0 307.394 0.931 10 0 DCAERO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000249872330 524233399 /nfs/dbraw/zinc/23/33/99/524233399.db2.gz GJUFLCPDPXDJNZ-GRYCIOLGSA-N 1 0 322.409 0.354 10 0 DCAERO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000246948526 524431507 /nfs/dbraw/zinc/43/15/07/524431507.db2.gz HYCVHRJUDAADMF-QLFBSQMISA-N 1 0 312.458 0.879 10 0 DCAERO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000364923462 524552919 /nfs/dbraw/zinc/55/29/19/524552919.db2.gz QPIFLULZGLYKKR-GFCCVEGCSA-N 1 0 305.378 0.314 10 0 DCAERO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247140440 526018340 /nfs/dbraw/zinc/01/83/40/526018340.db2.gz KYBXXIIWHYVZCT-JQWIXIFHSA-N 1 0 322.438 0.795 10 0 DCAERO 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Cc1ccn(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc2)n1 ZINC000262373978 545984751 /nfs/dbraw/zinc/98/47/51/545984751.db2.gz WKCKZHIVQWBCTG-HIFRSBDPSA-N 1 0 300.362 0.491 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262407501 545985372 /nfs/dbraw/zinc/98/53/72/545985372.db2.gz YZBNTJOYXZBWOV-YGRLFVJLSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cnc(-c2ccncc2)s1 ZINC000262407188 545985560 /nfs/dbraw/zinc/98/55/60/545985560.db2.gz YXUDADJPGYPQKX-WDEREUQCSA-N 1 0 304.375 0.515 10 0 DCAERO Cc1cnn(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)c1 ZINC000262403573 545985607 /nfs/dbraw/zinc/98/56/07/545985607.db2.gz YULMQCMJMRYMLH-ZFWWWQNUSA-N 1 0 300.362 0.491 10 0 DCAERO COc1ccc(S[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262401829 545985694 /nfs/dbraw/zinc/98/56/94/545985694.db2.gz YQBCYPNJQSJARZ-JTNHKYCSSA-N 1 0 310.419 0.872 10 0 DCAERO Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000332834847 546062220 /nfs/dbraw/zinc/06/22/20/546062220.db2.gz XZWPHUYMNAZNQC-GJZGRUSLSA-N 1 0 320.441 0.512 10 0 DCAERO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000333137789 546072586 /nfs/dbraw/zinc/07/25/86/546072586.db2.gz BVIPXXOPZPMZCO-VXGBXAGGSA-N 1 0 304.398 0.307 10 0 DCAERO Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000333494781 546083317 /nfs/dbraw/zinc/08/33/17/546083317.db2.gz DRSFNXRULJQNHX-AAXDQBDMSA-N 1 0 323.397 0.990 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000333802822 546092845 /nfs/dbraw/zinc/09/28/45/546092845.db2.gz IBSPFZZDVBVQOA-CWRNSKLLSA-N 1 0 324.469 0.879 10 0 DCAERO CCN1[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[C@H]([NH3+])CS1(=O)=O ZINC000725256575 548749463 /nfs/dbraw/zinc/74/94/63/548749463.db2.gz VPBXKPWQJYDDDT-ZWNOBZJWSA-N 1 0 319.427 0.359 10 0 DCAERO O=C(N1CCOCC1)[C@@]12C[N@H+](Cc3ccon3)C[C@H]1COCC2 ZINC000888097236 661176574 /nfs/dbraw/zinc/17/65/74/661176574.db2.gz FXPAGDUFXHRLRO-BBRMVZONSA-N 1 0 321.377 0.372 10 0 DCAERO COc1c(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(C)nn1C ZINC000723883405 657716991 /nfs/dbraw/zinc/71/69/91/657716991.db2.gz PNMXTAPQOAYGSS-UHFFFAOYSA-N 1 0 303.428 0.898 10 0 DCAERO COCC[N@H+](C)C[C@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724204520 658053009 /nfs/dbraw/zinc/05/30/09/658053009.db2.gz LMZLDGQGIWQZLC-JTQLQIEISA-N 1 0 300.321 0.189 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000262565151 658197632 /nfs/dbraw/zinc/19/76/32/658197632.db2.gz RLUROZMYPLFOOU-PWSUYJOCSA-N 1 0 306.284 0.526 10 0 DCAERO COCC1(CNC(=O)[C@@H]2CSCN2C(C)=O)CC[NH2+]CC1 ZINC000261704500 658284281 /nfs/dbraw/zinc/28/42/81/658284281.db2.gz JYVSFMUKRWDHDL-LBPRGKRZSA-N 1 0 315.439 0.040 10 0 DCAERO COCC[N@H+](C)CCNC(=O)c1csc(C(=O)OC)n1 ZINC000721426978 658687833 /nfs/dbraw/zinc/68/78/33/658687833.db2.gz MDNXRKVJORXERD-UHFFFAOYSA-N 1 0 301.368 0.238 10 0 DCAERO CCCN1C(=O)C(=O)N(CN(C)C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000177158365 658706675 /nfs/dbraw/zinc/70/66/75/658706675.db2.gz QJCXTGBBGAWKLH-LBPRGKRZSA-N 1 0 310.398 0.561 10 0 DCAERO COC(=O)[C@@H]1CN(CCCNC(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591991 658876298 /nfs/dbraw/zinc/87/62/98/658876298.db2.gz VXKONPWMARIYCN-BDAKNGLRSA-N 1 0 312.288 0.317 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCSC(F)(F)F ZINC000310922377 659022527 /nfs/dbraw/zinc/02/25/27/659022527.db2.gz HJDBPOVWNVZYBF-SSDOTTSWSA-N 1 0 308.347 0.147 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000722222865 659389087 /nfs/dbraw/zinc/38/90/87/659389087.db2.gz DIPMYSDLFYGXEY-VXGBXAGGSA-N 1 0 304.412 0.343 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)O1 ZINC000248865445 661534335 /nfs/dbraw/zinc/53/43/35/661534335.db2.gz AWYYEEJYHJKSAN-FQUUOJAGSA-N 1 0 310.394 0.650 10 0 DCAERO COc1ccccc1[C@H](O)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000261924662 661839325 /nfs/dbraw/zinc/83/93/25/661839325.db2.gz KTIZYHBMKHSACC-CYBMUJFWSA-N 1 0 308.378 0.600 10 0 DCAERO Cc1nccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000261989009 661945669 /nfs/dbraw/zinc/94/56/69/661945669.db2.gz BESIHNUFIWRJQF-DVOMOZLQSA-N 1 0 304.394 0.934 10 0 DCAERO COc1ccc([C@H](CC(=O)NCC2C[NH2+]C2)NC(C)=O)cc1 ZINC000262052584 661998455 /nfs/dbraw/zinc/99/84/55/661998455.db2.gz WMMAGLAIDMLEJQ-HNNXBMFYSA-N 1 0 305.378 0.598 10 0 DCAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000237225645 662095234 /nfs/dbraw/zinc/09/52/34/662095234.db2.gz FSPRJLJPPPNFAZ-GFCCVEGCSA-N 1 0 303.366 0.681 10 0 DCAERO O=S(=O)(c1cnc2n1CCC2)N1CCC2(C1)CC[NH2+]CC2 ZINC000262188243 662153201 /nfs/dbraw/zinc/15/32/01/662153201.db2.gz CBDXBJBPAWWWFF-UHFFFAOYSA-N 1 0 310.423 0.594 10 0 DCAERO CCc1cccc(NC(=O)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261758304 662859390 /nfs/dbraw/zinc/85/93/90/662859390.db2.gz FQNVMNMEALGOAJ-UHFFFAOYSA-N 1 0 305.378 0.812 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000346221323 663134790 /nfs/dbraw/zinc/13/47/90/663134790.db2.gz VPKLEZTYYZIAML-IACUBPJLSA-N 1 0 311.451 0.993 10 0 DCAERO CNc1nc(C)ccc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000900847291 663287479 /nfs/dbraw/zinc/28/74/79/663287479.db2.gz YBUDVCHPAOEPKU-QWHCGFSZSA-N 1 0 306.410 0.959 10 0 DCAERO CC(C)(C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[NH+]1CCCCC1 ZINC000909199835 663786947 /nfs/dbraw/zinc/78/69/47/663786947.db2.gz UBPZGJVFXDOWMM-HZSPNIEDSA-N 1 0 306.410 0.938 10 0 DCAERO O=C(c1cc2n(n1)CCO2)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223801538 664423424 /nfs/dbraw/zinc/42/34/24/664423424.db2.gz BIYPVNPRZDGSHO-SNVBAGLBSA-N 1 0 304.350 0.406 10 0 DCAERO CCC(CC)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)SC ZINC000227806305 664539154 /nfs/dbraw/zinc/53/91/54/664539154.db2.gz JNVBZJIBCKHKOC-SNVBAGLBSA-N 1 0 310.485 0.786 10 0 DCAERO CC(C)C[C@@H]1NC(=O)N(CN2CCO[C@H](C[NH+](C)C)C2)C1=O ZINC000153006699 664787368 /nfs/dbraw/zinc/78/73/68/664787368.db2.gz ZDUVZISSPJYAHW-OLZOCXBDSA-N 1 0 312.414 0.173 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000185019235 666321612 /nfs/dbraw/zinc/32/16/12/666321612.db2.gz NDDKNOWKDPSHJI-ZIAGYGMSSA-N 1 0 323.441 0.449 10 0 DCAERO CC[S@@](=O)CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000735113648 666955287 /nfs/dbraw/zinc/95/52/87/666955287.db2.gz VFXGFYLHWXICJJ-OAQYLSRUSA-N 1 0 310.423 0.682 10 0 DCAERO O=S(=O)(c1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)cc1)C(F)F ZINC000702858703 667005803 /nfs/dbraw/zinc/00/58/03/667005803.db2.gz HNPIDRXUCSSKJS-GZMMTYOYSA-N 1 0 306.334 0.675 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2[NH3+])c1 ZINC000864342711 667245486 /nfs/dbraw/zinc/24/54/86/667245486.db2.gz DVUKFKFDWHPQIP-ZIAGYGMSSA-N 1 0 312.373 0.922 10 0 DCAERO C[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CO ZINC000705070256 667275003 /nfs/dbraw/zinc/27/50/03/667275003.db2.gz GCHVXCGUQOJLDS-JMSVASOKSA-N 1 0 302.415 0.965 10 0 DCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)nn1C ZINC000709259565 667444904 /nfs/dbraw/zinc/44/49/04/667444904.db2.gz LYIUSEXCROYJRB-VXNVDRBHSA-N 1 0 301.188 0.939 10 0 DCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)nn1C ZINC000709259562 667445012 /nfs/dbraw/zinc/44/50/12/667445012.db2.gz LYIUSEXCROYJRB-APPZFPTMSA-N 1 0 301.188 0.939 10 0 DCAERO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000710133325 667445895 /nfs/dbraw/zinc/44/58/95/667445895.db2.gz HTZHVQOIFIMXRT-SFHVURJKSA-N 1 0 311.473 0.798 10 0 DCAERO COC[C@]1(C(=O)N(C)CCOCc2ccccc2)C[NH2+]CCO1 ZINC000710726569 667446215 /nfs/dbraw/zinc/44/62/15/667446215.db2.gz QVCJYZBLBMRHBX-KRWDZBQOSA-N 1 0 322.405 0.667 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@H](c2nccs2)C1 ZINC000710609569 667447103 /nfs/dbraw/zinc/44/71/03/667447103.db2.gz DWZVYCVEMOMIGA-WDEREUQCSA-N 1 0 317.436 0.251 10 0 DCAERO CC1(C)CC[C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)OC1 ZINC000711352244 667459581 /nfs/dbraw/zinc/45/95/81/667459581.db2.gz LOEDIECOQBKGST-VXGBXAGGSA-N 1 0 306.428 0.099 10 0 DCAERO CNS(=O)(=O)CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711440385 667468220 /nfs/dbraw/zinc/46/82/20/667468220.db2.gz CNSCVDWEBVMQQC-UHFFFAOYSA-N 1 0 321.443 0.429 10 0 DCAERO CC(C)N1C[C@H](C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)CC1=O ZINC000886043451 667726807 /nfs/dbraw/zinc/72/68/07/667726807.db2.gz IZGIRGRWWYUQHJ-VXGBXAGGSA-N 1 0 305.382 0.613 10 0 DCAERO Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)no1 ZINC000886056886 667727238 /nfs/dbraw/zinc/72/72/38/667727238.db2.gz GGJOYKBKLPBEDH-WCQYABFASA-N 1 0 318.381 0.924 10 0 DCAERO COCC[N@@H+]1CCN(Cn2c3cnccc3n(C)c2=O)C[C@H]1C ZINC000159967253 669945101 /nfs/dbraw/zinc/94/51/01/669945101.db2.gz AVTLZRXEOYPQSM-CYBMUJFWSA-N 1 0 319.409 0.345 10 0 DCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000713050618 670152690 /nfs/dbraw/zinc/15/26/90/670152690.db2.gz KOEMMPMEDXLRCB-QWRGUYRKSA-N 1 0 305.444 0.146 10 0 DCAERO Cn1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c(Br)n1 ZINC000714087567 670177882 /nfs/dbraw/zinc/17/78/82/670177882.db2.gz QBXJSDWUEHKFNY-QWRGUYRKSA-N 1 0 315.215 0.745 10 0 DCAERO [NH3+]C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000720845124 685315580 /nfs/dbraw/zinc/31/55/80/685315580.db2.gz PQUDWPJXMKOSRI-NKWVEPMBSA-N 1 0 307.238 0.734 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720861371 685316374 /nfs/dbraw/zinc/31/63/74/685316374.db2.gz QYAKRMJMBNDUGT-RYUDHWBXSA-N 1 0 304.412 0.438 10 0 DCAERO O=S(=O)(CC1CCC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720202006 685312619 /nfs/dbraw/zinc/31/26/19/685312619.db2.gz JSFGFRUTOXIUNA-CYBMUJFWSA-N 1 0 302.440 0.865 10 0 DCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720502150 685313581 /nfs/dbraw/zinc/31/35/81/685313581.db2.gz PQUXLADQQPWQRA-XQQFMLRXSA-N 1 0 306.497 0.979 10 0 DCAERO Cn1nccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720808565 685315273 /nfs/dbraw/zinc/31/52/73/685315273.db2.gz XDTYQIVBJHCBSZ-YUMQZZPRSA-N 1 0 312.317 0.178 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720866948 685316260 /nfs/dbraw/zinc/31/62/60/685316260.db2.gz UNTAVSCISSKYCC-XBFCOCLRSA-N 1 0 302.440 0.958 10 0 DCAERO COc1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cn1 ZINC000721231252 685318318 /nfs/dbraw/zinc/31/83/18/685318318.db2.gz VCUNJCPXUIDCFC-ZDUSSCGKSA-N 1 0 300.380 0.384 10 0 DCAERO CC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000245858899 685159366 /nfs/dbraw/zinc/15/93/66/685159366.db2.gz HEGMOUGBWSIYFS-HUUCEWRRSA-N 1 0 323.437 0.773 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000253548916 685187686 /nfs/dbraw/zinc/18/76/86/685187686.db2.gz LUMLFNZBIMSZBB-RDBSUJKOSA-N 1 0 311.451 0.993 10 0 DCAERO O=C(CCc1nnc[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000177221198 1184226086 /nfs/dbraw/zinc/22/60/86/1184226086.db2.gz MDEUVWCTTWHASB-UHFFFAOYSA-N 1 0 307.398 0.308 10 0 DCAERO NC(=O)NCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000133207613 769800410 /nfs/dbraw/zinc/80/04/10/769800410.db2.gz QEMMHRDHVVAYGU-JTQLQIEISA-N 1 0 302.172 0.740 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000171906850 282121452 /nfs/dbraw/zinc/12/14/52/282121452.db2.gz DQDLASWJNLWECL-CHWSQXEVSA-N 1 0 304.398 0.391 10 0 DCAERO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000407950803 282153970 /nfs/dbraw/zinc/15/39/70/282153970.db2.gz FORTYSRSHCXAKR-KBPBESRZSA-N 1 0 304.456 0.895 10 0 DCAERO COCCOCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000079398374 185169120 /nfs/dbraw/zinc/16/91/20/185169120.db2.gz DGMDMEZYLFQDGK-CQSZACIVSA-N 1 0 300.399 0.220 10 0 DCAERO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000020182444 190645574 /nfs/dbraw/zinc/64/55/74/190645574.db2.gz JFMXVRFSHDAWDZ-SNVBAGLBSA-N 1 0 309.391 0.541 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000246279182 290090285 /nfs/dbraw/zinc/09/02/85/290090285.db2.gz MKTZSDXIMWRGJG-KBPBESRZSA-N 1 0 317.433 0.396 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000174355493 530063283 /nfs/dbraw/zinc/06/32/83/530063283.db2.gz LATNRGIUEKTYCT-CPCZMJQVSA-N 1 0 317.455 0.736 10 0 DCAERO C[NH+]1CCN(CCNC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000181824796 199358060 /nfs/dbraw/zinc/35/80/60/199358060.db2.gz UMARQIFNWHQMBZ-UHFFFAOYSA-N 1 0 311.813 0.952 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000261669836 290827217 /nfs/dbraw/zinc/82/72/17/290827217.db2.gz GRZAKFBRIPFKHZ-WPGHFRTFSA-N 1 0 319.405 0.939 10 0 DCAERO CC[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000182037630 199377331 /nfs/dbraw/zinc/37/73/31/199377331.db2.gz JTCGQUBCGWLOTR-RISCZKNCSA-N 1 0 308.426 0.873 10 0 DCAERO Cn1ccnc1-c1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)[nH]n1 ZINC000188964188 282738196 /nfs/dbraw/zinc/73/81/96/282738196.db2.gz GAWRTHGVKBCTHP-UHFFFAOYSA-N 1 0 312.337 0.431 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172591135 198120409 /nfs/dbraw/zinc/12/04/09/198120409.db2.gz JKDLVVYYWYYEQO-AWEZNQCLSA-N 1 0 316.405 0.756 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccccn2)CC[N@@H+]1C ZINC000172992158 198174568 /nfs/dbraw/zinc/17/45/68/198174568.db2.gz XULNYPZAIWBDJF-QWHCGFSZSA-N 1 0 304.394 0.753 10 0 DCAERO CC[C@H](C)NC(=O)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174155943 198298972 /nfs/dbraw/zinc/29/89/72/198298972.db2.gz OYSBTYLVRFFMNF-KBPBESRZSA-N 1 0 308.426 0.947 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000118769971 295902229 /nfs/dbraw/zinc/90/22/29/295902229.db2.gz XCXFPNAWNRDTNJ-NSHDSACASA-N 1 0 310.398 0.307 10 0 DCAERO CNC(=O)C1(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000107283597 283282552 /nfs/dbraw/zinc/28/25/52/283282552.db2.gz FFNRLSYBGUMLOB-CQSZACIVSA-N 1 0 322.453 0.141 10 0 DCAERO CN1CCc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)cc21 ZINC000180587274 199180525 /nfs/dbraw/zinc/18/05/25/199180525.db2.gz IHYYEJKKEBHXEQ-AWEZNQCLSA-N 1 0 316.405 0.828 10 0 DCAERO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085796137 283392386 /nfs/dbraw/zinc/39/23/86/283392386.db2.gz ZIWQEWVEQVMDRB-QWHCGFSZSA-N 1 0 317.455 0.116 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)nc2n1 ZINC000155393534 237041420 /nfs/dbraw/zinc/04/14/20/237041420.db2.gz ZQCYFPOVOJENJA-BETUJISGSA-N 1 0 316.409 0.835 10 0 DCAERO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179890496 237250722 /nfs/dbraw/zinc/25/07/22/237250722.db2.gz XNQBQEZCHRJDMC-AWEZNQCLSA-N 1 0 306.410 0.799 10 0 DCAERO COCCOCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000178635554 237235492 /nfs/dbraw/zinc/23/54/92/237235492.db2.gz NBISTNDBNTUGOP-ZDUSSCGKSA-N 1 0 308.444 0.443 10 0 DCAERO C[C@@H]1CN(CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1CCO ZINC000187708322 237356150 /nfs/dbraw/zinc/35/61/50/237356150.db2.gz VLVYIGPPKUGIJT-GFCCVEGCSA-N 1 0 324.400 0.735 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1)N1CCOCC1 ZINC000188651605 200281205 /nfs/dbraw/zinc/28/12/05/200281205.db2.gz HQBDZHQGSYQZSK-VXGBXAGGSA-N 1 0 324.343 0.871 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000154459038 291213878 /nfs/dbraw/zinc/21/38/78/291213878.db2.gz DYEKIDPVQMJRJT-ZDUSSCGKSA-N 1 0 317.455 0.595 10 0 DCAERO CCNC(=O)c1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000154722949 291215065 /nfs/dbraw/zinc/21/50/65/291215065.db2.gz OZPCALIUGDRHSU-CQSZACIVSA-N 1 0 308.378 0.508 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2cn[nH]n2)C1 ZINC000155862932 291222594 /nfs/dbraw/zinc/22/25/94/291222594.db2.gz DGAUNOPQIZWYMI-NSHDSACASA-N 1 0 313.427 0.370 10 0 DCAERO CCC[C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000162109024 291243194 /nfs/dbraw/zinc/24/31/94/291243194.db2.gz KMEKZNAHMNWYSE-UWVGGRQHSA-N 1 0 309.332 0.996 10 0 DCAERO COC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000566834304 291325253 /nfs/dbraw/zinc/32/52/53/291325253.db2.gz JYIIDFJNWMTADQ-ZQDZILKHSA-N 1 0 303.399 0.327 10 0 DCAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCCS(=O)(=O)CC1 ZINC000261632345 296069177 /nfs/dbraw/zinc/06/91/77/296069177.db2.gz CZCQCVPNKBMDGT-XQQFMLRXSA-N 1 0 300.424 0.554 10 0 DCAERO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000261753732 291337725 /nfs/dbraw/zinc/33/77/25/291337725.db2.gz WTKFRDYFOMTXOQ-LPWJVIDDSA-N 1 0 318.439 0.636 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CC12COC2 ZINC000451137098 240653821 /nfs/dbraw/zinc/65/38/21/240653821.db2.gz OKOVTNOFPASXTL-ZIAGYGMSSA-N 1 0 312.410 0.219 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1 ZINC000091843440 193116518 /nfs/dbraw/zinc/11/65/18/193116518.db2.gz ZKEQSGAUGGTWEA-UHFFFAOYSA-N 1 0 311.407 0.594 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457694405 241024740 /nfs/dbraw/zinc/02/47/40/241024740.db2.gz PXPMRTWFVWFUTE-HZSPNIEDSA-N 1 0 324.429 0.059 10 0 DCAERO O=C(N[C@@H]1CCCn2ncnc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245886347 284049256 /nfs/dbraw/zinc/04/92/56/284049256.db2.gz LWMSMZUOYBFPIJ-QWHCGFSZSA-N 1 0 304.398 0.993 10 0 DCAERO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000288217105 220024088 /nfs/dbraw/zinc/02/40/88/220024088.db2.gz NDIZJFMFYKKFRH-SNPRPXQTSA-N 1 0 301.390 0.902 10 0 DCAERO C[C@@H](O)CN1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000167979897 296182806 /nfs/dbraw/zinc/18/28/06/296182806.db2.gz MKTZSDXIMWRGJG-ZIAGYGMSSA-N 1 0 317.433 0.396 10 0 DCAERO C[NH2+]C[C@H](O)CS(=O)(=O)c1ccc(Br)cc1 ZINC000019685793 182136871 /nfs/dbraw/zinc/13/68/71/182136871.db2.gz BHFCZNRIBGIVBI-VIFPVBQESA-N 1 0 308.197 0.803 10 0 DCAERO C[NH+](C)CCCNS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000020549599 182230308 /nfs/dbraw/zinc/23/03/08/182230308.db2.gz PMTWJDKLOJGJNO-UHFFFAOYSA-N 1 0 301.437 0.551 10 0 DCAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000236798408 284523382 /nfs/dbraw/zinc/52/33/82/284523382.db2.gz VMVAAGSWJDAQGZ-STQMWFEESA-N 1 0 313.467 0.941 10 0 DCAERO O=S1(=O)CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000037982293 182952356 /nfs/dbraw/zinc/95/23/56/182952356.db2.gz WYBOROZOMLSNLN-NWDGAFQWSA-N 1 0 317.382 0.590 10 0 DCAERO COCC[N@@H+]1CCN(Cc2nnnn2-c2ccccc2)C[C@H]1C ZINC000105832727 194140593 /nfs/dbraw/zinc/14/05/93/194140593.db2.gz MCSGRQCCUSKOSU-CQSZACIVSA-N 1 0 316.409 0.815 10 0 DCAERO CC(C)NC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863035 194149660 /nfs/dbraw/zinc/14/96/60/194149660.db2.gz JMOVEHTXSDDRLD-UHFFFAOYSA-N 1 0 307.442 0.804 10 0 DCAERO COCC[N@@H+]1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C[C@H]1C ZINC000106108667 194187405 /nfs/dbraw/zinc/18/74/05/194187405.db2.gz WHJKKWUZYWUGSZ-NEPJUHHUSA-N 1 0 323.445 0.233 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000109849613 194293713 /nfs/dbraw/zinc/29/37/13/194293713.db2.gz WISNFLMFQSYCAN-GFCCVEGCSA-N 1 0 305.378 0.493 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080654 194389367 /nfs/dbraw/zinc/38/93/67/194389367.db2.gz TXXUTSFXWLLIGK-LSDHHAIUSA-N 1 0 306.410 0.985 10 0 DCAERO O=C(Cn1cccc(Br)c1=O)N1CC[NH2+]CC1 ZINC000057839050 184056187 /nfs/dbraw/zinc/05/61/87/184056187.db2.gz YRTFIPUXGMKIQV-UHFFFAOYSA-N 1 0 300.156 0.043 10 0 DCAERO O=C(CCn1cc(C(F)(F)F)ccc1=O)N1CC[NH2+]CC1 ZINC000057837514 184056220 /nfs/dbraw/zinc/05/62/20/184056220.db2.gz VOIVJFPLINYRQE-UHFFFAOYSA-N 1 0 303.284 0.689 10 0 DCAERO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000175317836 252601237 /nfs/dbraw/zinc/60/12/37/252601237.db2.gz ZIRTZUSJZTUZAJ-ZDUSSCGKSA-N 1 0 319.405 0.883 10 0 DCAERO [NH3+]CC1(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCOCC1 ZINC000262060905 220465315 /nfs/dbraw/zinc/46/53/15/220465315.db2.gz DZPPFYAWZNZALE-LLVKDONJSA-N 1 0 323.359 0.742 10 0 DCAERO O=C1C[C@]2(CC[N@H+](Cc3ccc4c(c3)NC(=O)CO4)C2)CN1 ZINC000294743494 224207072 /nfs/dbraw/zinc/20/70/72/224207072.db2.gz QXNKVULTPLPGSA-MRXNPFEDSA-N 1 0 301.346 0.730 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NC3CCC3)C2)cn1 ZINC000248159834 257107107 /nfs/dbraw/zinc/10/71/07/257107107.db2.gz XDNPECFWHWGDQN-OAGGEKHMSA-N 1 0 318.421 0.926 10 0 DCAERO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000248102170 257109779 /nfs/dbraw/zinc/10/97/79/257109779.db2.gz FFFNYIIBUZIQRD-CJNGLKHVSA-N 1 0 318.373 0.747 10 0 DCAERO Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCOC3)[C@H]3CCCO[C@@H]23)cn1 ZINC000248081388 257110029 /nfs/dbraw/zinc/11/00/29/257110029.db2.gz ALZYCEAWSAZNGV-KBXIAJHMSA-N 1 0 320.393 0.171 10 0 DCAERO CN(C)C(=O)CN1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000247992382 257112554 /nfs/dbraw/zinc/11/25/54/257112554.db2.gz LSGCHKLUKNRNPH-HNNXBMFYSA-N 1 0 305.426 0.814 10 0 DCAERO COCCNC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000247877823 257115168 /nfs/dbraw/zinc/11/51/68/257115168.db2.gz OZWMSBARTOBKPE-PMPSAXMXSA-N 1 0 319.405 0.824 10 0 DCAERO CCc1cnc(N2CCO[C@H]3C[N@H+](CCO)CC[C@H]3C2)nc1 ZINC000253606290 257104456 /nfs/dbraw/zinc/10/44/56/257104456.db2.gz CWWHOFJTPLPAEV-GJZGRUSLSA-N 1 0 306.410 0.558 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000247349259 285366870 /nfs/dbraw/zinc/36/68/70/285366870.db2.gz JOLPCGLZDIUZNM-NWDGAFQWSA-N 1 0 305.444 0.067 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000183438806 533452937 /nfs/dbraw/zinc/45/29/37/533452937.db2.gz HQDBKIYGYBEZMV-UHFFFAOYSA-N 1 0 303.366 0.801 10 0 DCAERO Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000275711231 130367944 /nfs/dbraw/zinc/36/79/44/130367944.db2.gz KXQYCCOHSTUTCT-CYBMUJFWSA-N 1 0 305.378 0.559 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cnn(C)c2C)[N@H+](C)C1 ZINC000284731379 131107412 /nfs/dbraw/zinc/10/74/12/131107412.db2.gz TVVHDZPCLKEFFN-GJZGRUSLSA-N 1 0 308.426 0.839 10 0 DCAERO COc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000285299072 131155473 /nfs/dbraw/zinc/15/54/73/131155473.db2.gz PLISFBSYZXFWIX-ZFWWWQNUSA-N 1 0 306.362 0.946 10 0 DCAERO Oc1ccccc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000029630846 395699176 /nfs/dbraw/zinc/69/91/76/395699176.db2.gz LIGTZYXTUAOYQU-HNNXBMFYSA-N 1 0 321.421 0.207 10 0 DCAERO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000037015549 395725734 /nfs/dbraw/zinc/72/57/34/395725734.db2.gz HRCQEDFFBWZEHA-MFKMUULPSA-N 1 0 311.407 0.653 10 0 DCAERO 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396075811 /nfs/dbraw/zinc/07/58/11/396075811.db2.gz ALWCEDPAQLYUBO-JSGCOSHPSA-N 1 0 304.394 0.690 10 0 DCAERO C[C@@H]1CN(C(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000261886399 396076001 /nfs/dbraw/zinc/07/60/01/396076001.db2.gz ZBLCWLSXZNKJKY-FMKPAKJESA-N 1 0 318.421 0.664 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CNC(=O)c1ccccn1 ZINC000261945957 396082548 /nfs/dbraw/zinc/08/25/48/396082548.db2.gz YEDJXDMVFLORTR-ZAQWFSBCSA-N 1 0 316.405 0.834 10 0 DCAERO C(N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956943 396084112 /nfs/dbraw/zinc/08/41/12/396084112.db2.gz OZZBPTAMNCXNHX-MJBXVCDLSA-N 1 0 305.426 0.861 10 0 DCAERO Cc1c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cnn1C ZINC000163025055 396085180 /nfs/dbraw/zinc/08/51/80/396085180.db2.gz SSLSCGSGFZUBQH-OAHLLOKOSA-N 1 0 319.453 0.971 10 0 DCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188009 396205231 /nfs/dbraw/zinc/20/52/31/396205231.db2.gz HOZJZIIUVLMYEI-WCQYABFASA-N 1 0 316.361 0.475 10 0 DCAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000076512981 396205454 /nfs/dbraw/zinc/20/54/54/396205454.db2.gz IMQONBUHNABHRZ-ILXRZTDVSA-N 1 0 300.399 0.143 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188833 396205464 /nfs/dbraw/zinc/20/54/64/396205464.db2.gz HOZJZIIUVLMYEI-YPMHNXCESA-N 1 0 316.361 0.475 10 0 DCAERO Cc1sc(=O)n(CCc2nc([C@@H]3C[NH2+]CCN3C)no2)c1C ZINC000263222554 396206815 /nfs/dbraw/zinc/20/68/15/396206815.db2.gz MDQWBFHRLJIAIB-NSHDSACASA-N 1 0 323.422 0.728 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CNC(=O)c2cccs2)n1 ZINC000263236932 396208602 /nfs/dbraw/zinc/20/86/02/396208602.db2.gz ODMVQKSQDUHQAC-SECBINFHSA-N 1 0 307.379 0.637 10 0 DCAERO CC(=O)NC1(c2nc([C@@H]3C[NH2+]CCN3C)no2)CCCCC1 ZINC000263256252 396209434 /nfs/dbraw/zinc/20/94/34/396209434.db2.gz QMNPDNIEMVQMBA-LBPRGKRZSA-N 1 0 307.398 0.941 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000175993922 396148075 /nfs/dbraw/zinc/14/80/75/396148075.db2.gz WPNWKXXWYSWTNB-LBPRGKRZSA-N 1 0 305.444 0.259 10 0 DCAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n(C)n1 ZINC000176436742 396155739 /nfs/dbraw/zinc/15/57/39/396155739.db2.gz LORNYXTYEXRTIK-ZDUSSCGKSA-N 1 0 308.426 0.893 10 0 DCAERO Cn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)ccc1=O ZINC000262569292 396156955 /nfs/dbraw/zinc/15/69/55/396156955.db2.gz XGDXDYDJQASUCR-DETPVDSQSA-N 1 0 305.378 0.856 10 0 DCAERO Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000262656900 396169341 /nfs/dbraw/zinc/16/93/41/396169341.db2.gz CVTJWWHWCMRAOJ-BMFZPTHFSA-N 1 0 317.437 0.989 10 0 DCAERO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000177613623 396179656 /nfs/dbraw/zinc/17/96/56/396179656.db2.gz KFSNWANFMSJFQK-GXTWGEPZSA-N 1 0 304.394 0.405 10 0 DCAERO CCNC(=O)NC1(c2nc([C@H]3C[NH2+]CCN3C)no2)CCCC1 ZINC000263288266 396211988 /nfs/dbraw/zinc/21/19/88/396211988.db2.gz VIDPFOIWWCFWGG-LLVKDONJSA-N 1 0 322.413 0.734 10 0 DCAERO O=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1C[NH2+]C1 ZINC000263309863 396212515 /nfs/dbraw/zinc/21/25/15/396212515.db2.gz PBDHJIIXGIZBRA-UHFFFAOYSA-N 1 0 305.353 0.766 10 0 DCAERO Cc1csc(=O)n1CCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263167221 396204663 /nfs/dbraw/zinc/20/46/63/396204663.db2.gz FIGYWIODIRPNSX-JTQLQIEISA-N 1 0 309.395 0.420 10 0 DCAERO CCn1c(C)nnc1CN1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000182089695 396245930 /nfs/dbraw/zinc/24/59/30/396245930.db2.gz CDPNNKYOQBUMJG-LBPRGKRZSA-N 1 0 309.414 0.676 10 0 DCAERO C[C@@H]1C[NH+](CCCNC(=O)NCCCn2ccnn2)C[C@@H](C)O1 ZINC000182147509 396246956 /nfs/dbraw/zinc/24/69/56/396246956.db2.gz GJQCFXUNIVZXCW-ZIAGYGMSSA-N 1 0 324.429 0.467 10 0 DCAERO COC(=O)CC[N@H+](CCC(=O)NC(C)C)C[C@@H]1CCCO1 ZINC000078728165 396252964 /nfs/dbraw/zinc/25/29/64/396252964.db2.gz AWDHXBHMFCSENI-ZDUSSCGKSA-N 1 0 300.399 0.945 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183626345 396272783 /nfs/dbraw/zinc/27/27/83/396272783.db2.gz VEUIBJCZCMGVRK-LBPRGKRZSA-N 1 0 323.393 0.822 10 0 DCAERO CC[C@H]1CN(c2cnn(C)c(=O)c2Cl)CCN1C[C@H](C)O ZINC000264388160 396275666 /nfs/dbraw/zinc/27/56/66/396275666.db2.gz ZXUFWEXZWZUANX-QWRGUYRKSA-N 1 0 314.817 0.715 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000178994678 396217975 /nfs/dbraw/zinc/21/79/75/396217975.db2.gz HYVBQDFMCNBNDY-CYBMUJFWSA-N 1 0 308.382 0.306 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@H]12 ZINC000185095855 396317793 /nfs/dbraw/zinc/31/77/93/396317793.db2.gz SCRPUGGZMYAGCI-XHNCKOQMSA-N 1 0 309.288 0.471 10 0 DCAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184264944 396289165 /nfs/dbraw/zinc/28/91/65/396289165.db2.gz CJVAPQHGEMQUGE-GFCCVEGCSA-N 1 0 323.422 0.927 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N(C)CC[N@H+](C)C2CC2)cn1 ZINC000184588632 396299624 /nfs/dbraw/zinc/29/96/24/396299624.db2.gz ZJQJMNKIGCKQMM-UHFFFAOYSA-N 1 0 308.386 0.187 10 0 DCAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184730455 396303230 /nfs/dbraw/zinc/30/32/30/396303230.db2.gz FYAPLIWOSPLDDW-KCPJHIHWSA-N 1 0 310.369 0.600 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859403 396308506 /nfs/dbraw/zinc/30/85/06/396308506.db2.gz SNJOHCAQXBGBSP-ZBFHGGJFSA-N 1 0 324.469 0.569 10 0 DCAERO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000185228610 396322255 /nfs/dbraw/zinc/32/22/55/396322255.db2.gz SRLMLOGGLVSEHW-UHFFFAOYSA-N 1 0 311.407 0.500 10 0 DCAERO CN1CC(=O)N(CCCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1=O ZINC000186553642 396352632 /nfs/dbraw/zinc/35/26/32/396352632.db2.gz CEDGBLDBQJHFFE-LBPRGKRZSA-N 1 0 322.409 0.404 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@]23CCOC3=O)C1 ZINC000186634072 396353957 /nfs/dbraw/zinc/35/39/57/396353957.db2.gz CGOLFTLMVMRDOH-JSGCOSHPSA-N 1 0 316.423 0.440 10 0 DCAERO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000186724877 396356341 /nfs/dbraw/zinc/35/63/41/396356341.db2.gz IAPVDZYDNFFHHL-YPMHNXCESA-N 1 0 317.455 0.162 10 0 DCAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000187096893 396363091 /nfs/dbraw/zinc/36/30/91/396363091.db2.gz JBQNNYYRJMEJNB-KBPBESRZSA-N 1 0 321.425 0.792 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187438510 396369928 /nfs/dbraw/zinc/36/99/28/396369928.db2.gz NXAOIERPIOKNAI-OCCSQVGLSA-N 1 0 308.426 0.779 10 0 DCAERO CC[NH+]1CCN(c2cccc(NC(=O)CC(=O)NC)c2)CC1 ZINC000187577654 396371516 /nfs/dbraw/zinc/37/15/16/396371516.db2.gz SJZMVYLJUDKPGW-UHFFFAOYSA-N 1 0 304.394 0.903 10 0 DCAERO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC[NH+]2CCC1CC2 ZINC000188659786 396384459 /nfs/dbraw/zinc/38/44/59/396384459.db2.gz WJAQNXMEBCGOHR-ZDUSSCGKSA-N 1 0 317.389 0.935 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191035228 396414651 /nfs/dbraw/zinc/41/46/51/396414651.db2.gz WKJLPOLMHRVKMV-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO COc1ccccc1COC[C@H](O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191100960 396416189 /nfs/dbraw/zinc/41/61/89/396416189.db2.gz YAHFOWJPGZGISQ-OAHLLOKOSA-N 1 0 322.405 0.737 10 0 DCAERO CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029877 396428775 /nfs/dbraw/zinc/42/87/75/396428775.db2.gz ORUSGYFYPDXNEK-QWRGUYRKSA-N 1 0 306.428 0.730 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000192680174 396435815 /nfs/dbraw/zinc/43/58/15/396435815.db2.gz CWVDPHWELUXSLR-JKSUJKDBSA-N 1 0 303.362 0.568 10 0 DCAERO CC1(C)[C@H](NS(=O)(=O)CC[NH+]2CCCC2)[C@@H]2CCO[C@@H]21 ZINC000192711122 396435871 /nfs/dbraw/zinc/43/58/71/396435871.db2.gz BVMWHUHKXIKMIK-XQQFMLRXSA-N 1 0 302.440 0.815 10 0 DCAERO CC(C)C[NH+]1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000188026565 396377552 /nfs/dbraw/zinc/37/75/52/396377552.db2.gz IHRGDEKQJQAEKS-UHFFFAOYSA-N 1 0 308.382 0.862 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000193303904 396448894 /nfs/dbraw/zinc/44/88/94/396448894.db2.gz VIGOFMFNNDEHTQ-OCCSQVGLSA-N 1 0 301.456 0.438 10 0 DCAERO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000193323417 396449049 /nfs/dbraw/zinc/44/90/49/396449049.db2.gz LNCGLBXXUOSKGT-DTORHVGOSA-N 1 0 321.324 0.940 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000291485890 396493864 /nfs/dbraw/zinc/49/38/64/396493864.db2.gz GEAVZDNMQQCJCT-UHFFFAOYSA-N 1 0 314.411 0.114 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000372472054 396520487 /nfs/dbraw/zinc/52/04/87/396520487.db2.gz LCPRMGCGSJOMAQ-RQJABVFESA-N 1 0 308.426 0.589 10 0 DCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000372556679 396527242 /nfs/dbraw/zinc/52/72/42/396527242.db2.gz KFYWWGKDMFTDMM-KGLIPLIRSA-N 1 0 320.455 0.274 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC000293789502 396632848 /nfs/dbraw/zinc/63/28/48/396632848.db2.gz CILOHJYOMDLELI-QWHCGFSZSA-N 1 0 315.377 0.665 10 0 DCAERO COC(=O)[C@@](C)(O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000588967781 396700852 /nfs/dbraw/zinc/70/08/52/396700852.db2.gz VTLLYHXGCRABKI-JZXOWHBKSA-N 1 0 318.417 0.974 10 0 DCAERO CSC1(CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000589087707 396703534 /nfs/dbraw/zinc/70/35/34/396703534.db2.gz FLAQWXIHUPYXRK-VXGBXAGGSA-N 1 0 311.451 0.693 10 0 DCAERO CSC1(CNC(=O)C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000589087152 396703561 /nfs/dbraw/zinc/70/35/61/396703561.db2.gz AYBIJWGANXATGI-LBPRGKRZSA-N 1 0 311.451 0.695 10 0 DCAERO C[C@@H](CC[S@@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610821118 396767338 /nfs/dbraw/zinc/76/73/38/396767338.db2.gz GEGSGBVUBDMDSG-WIUDPPPLSA-N 1 0 315.443 0.723 10 0 DCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312915435 396767675 /nfs/dbraw/zinc/76/76/75/396767675.db2.gz BXXROIORVGUEPB-STQMWFEESA-N 1 0 308.444 0.130 10 0 DCAERO COc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)on1 ZINC000328649306 396828556 /nfs/dbraw/zinc/82/85/56/396828556.db2.gz UXPHTLLIWMNQJH-GFCCVEGCSA-N 1 0 309.366 0.866 10 0 DCAERO Cc1cnc(C)c(N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000375987683 396857584 /nfs/dbraw/zinc/85/75/84/396857584.db2.gz VRVCUXLONSITFC-HNNXBMFYSA-N 1 0 305.426 0.546 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332913584 396905606 /nfs/dbraw/zinc/90/56/06/396905606.db2.gz UELMIQDSEFONJS-XDQVBPFNSA-N 1 0 320.397 0.096 10 0 DCAERO O=C(c1cncc(Br)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000571565995 396966175 /nfs/dbraw/zinc/96/61/75/396966175.db2.gz ODYMGSYIWZZZIS-WDEREUQCSA-N 1 0 312.167 0.657 10 0 DCAERO NC(=O)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000591716959 396988707 /nfs/dbraw/zinc/98/87/07/396988707.db2.gz RVEOHHJZISNSGL-UHFFFAOYSA-N 1 0 311.407 0.301 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@@H](OC)C[C@@]2(C)C[NH3+])c1 ZINC000630363428 396995241 /nfs/dbraw/zinc/99/52/41/396995241.db2.gz NAOGHYGVOLIPQA-JQWIXIFHSA-N 1 0 302.400 0.030 10 0 DCAERO CC(=O)CSCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000597696707 397067245 /nfs/dbraw/zinc/06/72/45/397067245.db2.gz XJPXZKXHRJOLFD-QWHCGFSZSA-N 1 0 300.424 0.630 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@@H](CCF)C2)CC1 ZINC000626001698 397050863 /nfs/dbraw/zinc/05/08/63/397050863.db2.gz WTIWLYNQLXMZGT-OCCSQVGLSA-N 1 0 315.389 0.126 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000573536043 397178109 /nfs/dbraw/zinc/17/81/09/397178109.db2.gz RDUYWCUAFDFFKQ-YOEHRIQHSA-N 1 0 323.437 0.568 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000626417591 397158256 /nfs/dbraw/zinc/15/82/56/397158256.db2.gz ZBBJWVOVHNKFFB-HNNXBMFYSA-N 1 0 320.393 0.857 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000378016478 397179709 /nfs/dbraw/zinc/17/97/09/397179709.db2.gz DSFIOAPGNMPYMQ-YJNKXOJESA-N 1 0 322.453 0.977 10 0 DCAERO CCN1CC[C@@H](NC(=O)CSCC[NH+](CC)CC)C1=O ZINC000619825280 397197846 /nfs/dbraw/zinc/19/78/46/397197846.db2.gz KOLFSHNTDNJGOD-GFCCVEGCSA-N 1 0 301.456 0.798 10 0 DCAERO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@H](F)C[C@H]1CO ZINC000364623826 397228576 /nfs/dbraw/zinc/22/85/76/397228576.db2.gz OKLJHYLMFMOFGN-NDBYEHHHSA-N 1 0 315.389 0.796 10 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/nfs/dbraw/zinc/47/21/06/397472106.db2.gz RZPZCLZLRGUJHR-MCIONIFRSA-N 1 0 323.437 0.613 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830781 286655686 /nfs/dbraw/zinc/65/56/86/286655686.db2.gz RZGVFXDTCPXNJY-LBPRGKRZSA-N 1 0 320.459 0.004 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056084359 158024436 /nfs/dbraw/zinc/02/44/36/158024436.db2.gz VZTOAHRPAYQFCG-LLVKDONJSA-N 1 0 322.384 0.963 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000076053007 158063381 /nfs/dbraw/zinc/06/33/81/158063381.db2.gz PJZONVRHPJIZPB-DZGCQCFKSA-N 1 0 324.469 0.528 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000075956830 158063449 /nfs/dbraw/zinc/06/34/49/158063449.db2.gz GDEMYLYQYYNDKQ-HUUCEWRRSA-N 1 0 315.458 0.306 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000078992824 158076278 /nfs/dbraw/zinc/07/62/78/158076278.db2.gz MJHOKTNSSKZREE-SNVBAGLBSA-N 1 0 321.343 0.950 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CS[C@@H](C)[C@@H](C)O)C1 ZINC000079070701 158077274 /nfs/dbraw/zinc/07/72/74/158077274.db2.gz VHPZLTOSIHPEKJ-HZSPNIEDSA-N 1 0 318.483 0.962 10 0 DCAERO CC(C)Oc1cccnc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000079506603 158078760 /nfs/dbraw/zinc/07/87/60/158078760.db2.gz OQXUAOKCQYJASD-UHFFFAOYSA-N 1 0 306.410 0.846 10 0 DCAERO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105884673 158131988 /nfs/dbraw/zinc/13/19/88/158131988.db2.gz NVPRUVMELDHGOT-GFCCVEGCSA-N 1 0 308.386 0.063 10 0 DCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)n1 ZINC000107304767 158135103 /nfs/dbraw/zinc/13/51/03/158135103.db2.gz BWALIRLYOJUSGL-ZDUSSCGKSA-N 1 0 315.443 0.156 10 0 DCAERO CS(=O)(=O)CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108795978 158137247 /nfs/dbraw/zinc/13/72/47/158137247.db2.gz HHUROBTZJRTRDU-UHFFFAOYSA-N 1 0 302.440 0.898 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000114959068 158160514 /nfs/dbraw/zinc/16/05/14/158160514.db2.gz YUZGOUWYRLGYFB-RYUDHWBXSA-N 1 0 320.441 0.937 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1CC ZINC000116769684 158167209 /nfs/dbraw/zinc/16/72/09/158167209.db2.gz BDLWRQDSTISXSM-NEPJUHHUSA-N 1 0 300.403 0.003 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000116900513 158168750 /nfs/dbraw/zinc/16/87/50/158168750.db2.gz BGJZMVPGBCVRKD-CHWSQXEVSA-N 1 0 305.444 0.226 10 0 DCAERO CC[NH+](CC)CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119962551 158191982 /nfs/dbraw/zinc/19/19/82/158191982.db2.gz DRBYWLMRGFCNLX-ZDUSSCGKSA-N 1 0 317.455 0.355 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000120241530 158195087 /nfs/dbraw/zinc/19/50/87/158195087.db2.gz HMPXPQJJRIUMRQ-CQSZACIVSA-N 1 0 322.413 0.030 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000121018373 158206803 /nfs/dbraw/zinc/20/68/03/158206803.db2.gz MCIUNDUGVAKQJG-SNVBAGLBSA-N 1 0 321.385 0.634 10 0 DCAERO CN1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000121115644 158208247 /nfs/dbraw/zinc/20/82/47/158208247.db2.gz HDLJJHZYHKVIQU-HNNXBMFYSA-N 1 0 317.437 0.589 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000121872437 158216468 /nfs/dbraw/zinc/21/64/68/158216468.db2.gz YZKZPRJUJPCOOP-ZDUSSCGKSA-N 1 0 314.430 0.169 10 0 DCAERO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)C3CC3)cn2)CC1 ZINC000122941189 158224997 /nfs/dbraw/zinc/22/49/97/158224997.db2.gz OLBARJYOAWTBIY-UHFFFAOYSA-N 1 0 324.450 0.805 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)CCO1 ZINC000124260692 158239735 /nfs/dbraw/zinc/23/97/35/158239735.db2.gz CEEGMMUJEZUTGR-ZDUSSCGKSA-N 1 0 319.405 0.711 10 0 DCAERO O=S(=O)([C@@H]1CC[N@H+](CCC2OCCO2)C1)N1CCCC1 ZINC000124723188 158246453 /nfs/dbraw/zinc/24/64/53/158246453.db2.gz DKWUZMCTESSUAL-GFCCVEGCSA-N 1 0 304.412 0.249 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccsc1 ZINC000125448341 158254895 /nfs/dbraw/zinc/25/48/95/158254895.db2.gz OKPMEJUBBVTGGS-LBPRGKRZSA-N 1 0 311.407 0.914 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000127268868 158272625 /nfs/dbraw/zinc/27/26/25/158272625.db2.gz YDFVYXCQXPNYSX-OXIQGZBJSA-N 1 0 311.451 0.991 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000129873508 158292288 /nfs/dbraw/zinc/29/22/88/158292288.db2.gz QJEWDOWKUJOXNK-ZDUSSCGKSA-N 1 0 320.437 0.687 10 0 DCAERO Cc1cc(C)n(-c2cncc(N3CCC[N@H+](CCO)CC3)n2)n1 ZINC000131571803 158302742 /nfs/dbraw/zinc/30/27/42/158302742.db2.gz SCOPDHMJUWNSKH-UHFFFAOYSA-N 1 0 316.409 0.784 10 0 DCAERO CN1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1=O ZINC000134148542 158324396 /nfs/dbraw/zinc/32/43/96/158324396.db2.gz IKOOLLKUNPRKSF-AWEZNQCLSA-N 1 0 323.437 0.759 10 0 DCAERO C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000158433339 158353440 /nfs/dbraw/zinc/35/34/40/158353440.db2.gz YOGUJWBPNUJABM-UTUOFQBUSA-N 1 0 302.440 0.928 10 0 DCAERO CNC(=O)CCN(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171803443 158387390 /nfs/dbraw/zinc/38/73/90/158387390.db2.gz OLPXBIZBBNKVKA-UHFFFAOYSA-N 1 0 319.409 0.042 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCc2ncnn2C1 ZINC000171866343 158387394 /nfs/dbraw/zinc/38/73/94/158387394.db2.gz VWBZIOUFZVRJGC-ZDUSSCGKSA-N 1 0 306.414 0.768 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CN2CCCCCCC2=O)CCO1 ZINC000172308126 158393426 /nfs/dbraw/zinc/39/34/26/158393426.db2.gz BQIKIZLAPGMCDU-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1CO ZINC000189685941 158554258 /nfs/dbraw/zinc/55/42/58/158554258.db2.gz GBSUTEULIRBSKP-KGLIPLIRSA-N 1 0 312.458 0.282 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000192029146 158573211 /nfs/dbraw/zinc/57/32/11/158573211.db2.gz DELWKWQPJSONDG-WZRBSPASSA-N 1 0 305.444 0.448 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000193416663 158583490 /nfs/dbraw/zinc/58/34/90/158583490.db2.gz JDVRLJRGOAMBRD-SCZZXKLOSA-N 1 0 308.354 0.425 10 0 DCAERO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000247544521 158683166 /nfs/dbraw/zinc/68/31/66/158683166.db2.gz PJZONVRHPJIZPB-HIFRSBDPSA-N 1 0 324.469 0.528 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000251790809 158713762 /nfs/dbraw/zinc/71/37/62/158713762.db2.gz XBYJPYXKLVZCFU-LSGALXMHSA-N 1 0 317.455 0.555 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261712390 158731991 /nfs/dbraw/zinc/73/19/91/158731991.db2.gz GISLSVZDEYXSET-RWMBFGLXSA-N 1 0 305.378 0.856 10 0 DCAERO Cn1nc(CC(=O)NC[C@@H]([NH3+])C2CC2)c2ccccc2c1=O ZINC000261951719 158757719 /nfs/dbraw/zinc/75/77/19/158757719.db2.gz PYJKASBSDHJDBL-CYBMUJFWSA-N 1 0 300.362 0.330 10 0 DCAERO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262213990 158785405 /nfs/dbraw/zinc/78/54/05/158785405.db2.gz IYSQATGNKNQYFL-JQWIXIFHSA-N 1 0 302.296 0.944 10 0 DCAERO COc1cc(CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc(OC)c1 ZINC000262271002 158791653 /nfs/dbraw/zinc/79/16/53/158791653.db2.gz MYJXFOHCFASLTO-WFASDCNBSA-N 1 0 308.378 0.333 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1-c1cccc(C)c1 ZINC000262340420 158800703 /nfs/dbraw/zinc/80/07/03/158800703.db2.gz SYMPVNHXDPEJQS-CZUORRHYSA-N 1 0 314.389 0.799 10 0 DCAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262380884 158807023 /nfs/dbraw/zinc/80/70/23/158807023.db2.gz XAMNKTMOFLXLEQ-GWCFXTLKSA-N 1 0 301.346 0.559 10 0 DCAERO COC(=O)CCN(C)S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000262825600 158843405 /nfs/dbraw/zinc/84/34/05/158843405.db2.gz HHRCURMVIVOAHE-DGCLKSJQSA-N 1 0 321.443 0.223 10 0 DCAERO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000318764173 159006499 /nfs/dbraw/zinc/00/64/99/159006499.db2.gz LOHPRODKBKDVJV-ARFHVFGLSA-N 1 0 309.454 0.776 10 0 DCAERO CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328723030 159024086 /nfs/dbraw/zinc/02/40/86/159024086.db2.gz XUUZHSYLLBPTFN-GFCCVEGCSA-N 1 0 306.414 0.721 10 0 DCAERO Cc1nc2c(nccc2C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)[nH]1 ZINC000328918860 159041994 /nfs/dbraw/zinc/04/19/94/159041994.db2.gz AKVUFBJORBJMGN-STQMWFEESA-N 1 0 315.377 0.811 10 0 DCAERO Cc1nccn1-c1cncc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328951624 159045978 /nfs/dbraw/zinc/04/59/78/159045978.db2.gz LSXJUJNDTVBEHI-UONOGXRCSA-N 1 0 314.393 0.880 10 0 DCAERO O=C(c1cnc2n(c1=O)CCS2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329106115 159061953 /nfs/dbraw/zinc/06/19/53/159061953.db2.gz DFODBVFUOIMXMR-SNVBAGLBSA-N 1 0 306.391 0.269 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnn4ccncc34)[C@H]2C1 ZINC000329163641 159069569 /nfs/dbraw/zinc/06/95/69/159069569.db2.gz GLFDGMBPAPXIHQ-UONOGXRCSA-N 1 0 301.350 0.274 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205900 159073698 /nfs/dbraw/zinc/07/36/98/159073698.db2.gz XGCIALWGHIECSY-UONOGXRCSA-N 1 0 301.350 0.274 10 0 DCAERO O=S(=O)(C[C@H]1CCOC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329274111 159078231 /nfs/dbraw/zinc/07/82/31/159078231.db2.gz KHNHDSZALVBUAK-STQMWFEESA-N 1 0 302.440 0.959 10 0 DCAERO COCCN1C[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000329463857 159095856 /nfs/dbraw/zinc/09/58/56/159095856.db2.gz UQKUGLIAPDJAPM-BFHYXJOUSA-N 1 0 309.410 0.034 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329751968 159116986 /nfs/dbraw/zinc/11/69/86/159116986.db2.gz VZIOAMZAZMUDDI-VXGBXAGGSA-N 1 0 307.398 0.578 10 0 DCAERO O=C(Cn1cnc2sccc2c1=O)N1CC[NH+]2CCC1CC2 ZINC000329895289 159126907 /nfs/dbraw/zinc/12/69/07/159126907.db2.gz KKUSXFZFGUMHCX-UHFFFAOYSA-N 1 0 318.402 0.765 10 0 DCAERO Cc1nccn1CCN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000330070221 159139611 /nfs/dbraw/zinc/13/96/11/159139611.db2.gz HXUNMJMLPRSDTQ-UHFFFAOYSA-N 1 0 312.439 0.738 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)O1 ZINC000330136104 159145046 /nfs/dbraw/zinc/14/50/46/159145046.db2.gz NBKNBMXQJFUQPO-MCIONIFRSA-N 1 0 309.410 0.175 10 0 DCAERO O=S(=O)(c1ccccc1Cl)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366990292 159302919 /nfs/dbraw/zinc/30/29/19/159302919.db2.gz SOCHNCIVRKOHEL-MNOVXSKESA-N 1 0 302.783 0.701 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407970814 160000086 /nfs/dbraw/zinc/00/00/86/160000086.db2.gz DLIDASYYZOWEHZ-MCIONIFRSA-N 1 0 310.442 0.979 10 0 DCAERO Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)[nH]n1 ZINC000407982094 160002487 /nfs/dbraw/zinc/00/24/87/160002487.db2.gz XEHUCQGFCBNAQK-ZBFHGGJFSA-N 1 0 317.437 0.814 10 0 DCAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNC(N)=O)CC2)C[C@H](C)O1 ZINC000407988969 160004856 /nfs/dbraw/zinc/00/48/56/160004856.db2.gz IQWDATCCZVZSGI-TXEJJXNPSA-N 1 0 312.414 0.003 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C(C)(C)C)CC2)[N@H+](C)C1 ZINC000408032333 160016965 /nfs/dbraw/zinc/01/69/65/160016965.db2.gz VHQWPDIWPUBEDP-STQMWFEESA-N 1 0 311.426 0.422 10 0 DCAERO CC1CCN(C(=O)C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000408043685 160020790 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DDLTWMPANSTBIW-AWEZNQCLSA-N 1 0 324.425 0.785 10 0 DCAERO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000135754926 287024363 /nfs/dbraw/zinc/02/43/63/287024363.db2.gz ATNDPMLAXIQXBR-GXTWGEPZSA-N 1 0 320.455 0.272 10 0 DCAERO C[C@@H]1CCC[C@](CNC(=O)C[C@@H]2NC(=O)NC2=O)([NH+](C)C)C1 ZINC000137904724 287028896 /nfs/dbraw/zinc/02/88/96/287028896.db2.gz VCSJUAAHXTUFSP-ZETOZRRWSA-N 1 0 310.398 0.211 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000153143673 287047257 /nfs/dbraw/zinc/04/72/57/287047257.db2.gz XWRKXAQOFIHTFM-QGZVFWFLSA-N 1 0 322.405 0.819 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 ZINC000178951984 287055260 /nfs/dbraw/zinc/05/52/60/287055260.db2.gz FJCSPUBPPYRTHD-UHFFFAOYSA-N 1 0 312.391 0.830 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[C@H]2O)CC1=O ZINC000245470483 287069888 /nfs/dbraw/zinc/06/98/88/287069888.db2.gz WJMIXGDAZIPLID-MGPQQGTHSA-N 1 0 311.426 0.064 10 0 DCAERO C[C@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 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/nfs/dbraw/zinc/21/83/39/685218339.db2.gz OUEMKCBTZWHCBD-QMMMGPOBSA-N 1 0 316.203 0.744 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC000269032987 415249047 /nfs/dbraw/zinc/24/90/47/415249047.db2.gz NQJDJKNDOMBVGW-OLZOCXBDSA-N 1 0 307.398 0.759 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000069503158 415400238 /nfs/dbraw/zinc/40/02/38/415400238.db2.gz CICHDSRTTFHHMJ-KFWWJZLASA-N 1 0 314.426 0.798 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000073645753 415424967 /nfs/dbraw/zinc/42/49/67/415424967.db2.gz WVKPZIPSONTBJK-CYBMUJFWSA-N 1 0 308.378 0.983 10 0 DCAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)NC(N)=O ZINC000274809199 415361123 /nfs/dbraw/zinc/36/11/23/415361123.db2.gz CUNNVEHHIUWBMX-CQSZACIVSA-N 1 0 306.410 0.928 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC(=O)N1CCOCC1 ZINC000077730059 415460130 /nfs/dbraw/zinc/46/01/30/415460130.db2.gz VNZXPQKKUXQALE-AWEZNQCLSA-N 1 0 313.442 0.718 10 0 DCAERO 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/nfs/dbraw/zinc/27/35/11/416273511.db2.gz IPBSYHSXTALRNV-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO CN1C(=O)C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000192154378 416300279 /nfs/dbraw/zinc/30/02/79/416300279.db2.gz FBZQQGSRPDUTAH-GWCFXTLKSA-N 1 0 324.768 0.396 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000194020721 416321399 /nfs/dbraw/zinc/32/13/99/416321399.db2.gz NDIPOFZHPCNBTO-JSGCOSHPSA-N 1 0 310.442 0.932 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1=O ZINC000246825501 416332311 /nfs/dbraw/zinc/33/23/11/416332311.db2.gz WWUIXXHFMHEKKT-IHRRRGAJSA-N 1 0 308.426 0.874 10 0 DCAERO CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246876085 416332403 /nfs/dbraw/zinc/33/24/03/416332403.db2.gz OHYFPSSSLZRESD-STQMWFEESA-N 1 0 313.442 0.452 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262307686 416336799 /nfs/dbraw/zinc/33/67/99/416336799.db2.gz MUYWQDSGXJQVFI-BFHYXJOUSA-N 1 0 310.442 0.125 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)Cc2csc3nccn23)CC1 ZINC000359444348 416346238 /nfs/dbraw/zinc/34/62/38/416346238.db2.gz TVSAJUFDJUQOBL-UHFFFAOYSA-N 1 0 321.450 0.644 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2CCN(C)CC2)CC1 ZINC000359493187 416348159 /nfs/dbraw/zinc/34/81/59/416348159.db2.gz KHIVIOLQCDEDKH-OAHLLOKOSA-N 1 0 310.486 0.861 10 0 DCAERO COc1cccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000194649512 416324168 /nfs/dbraw/zinc/32/41/68/416324168.db2.gz PUNOOVRUPPAWRN-AWEZNQCLSA-N 1 0 322.409 0.736 10 0 DCAERO CCCCOC[C@H](O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000195187949 416325400 /nfs/dbraw/zinc/32/54/00/416325400.db2.gz RAFIKSLAJDJBMW-ZIAGYGMSSA-N 1 0 305.440 0.816 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC000246187386 416331669 /nfs/dbraw/zinc/33/16/69/416331669.db2.gz ODFWJZGJADEBJH-OLZOCXBDSA-N 1 0 304.394 0.823 10 0 DCAERO CN(Cc1ccnn1C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000359894995 416364583 /nfs/dbraw/zinc/36/45/83/416364583.db2.gz DOXGPGXSPZLXSJ-CYBMUJFWSA-N 1 0 302.382 0.808 10 0 DCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cncnc2N)C1 ZINC000583621220 416480751 /nfs/dbraw/zinc/48/07/51/416480751.db2.gz YEWKMVKJCYKICO-RYUDHWBXSA-N 1 0 305.382 0.384 10 0 DCAERO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000361172553 416424293 /nfs/dbraw/zinc/42/42/93/416424293.db2.gz UNJLROQWZGKSBA-CQSZACIVSA-N 1 0 319.405 0.509 10 0 DCAERO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000361568350 416451042 /nfs/dbraw/zinc/45/10/42/416451042.db2.gz XDTBBJIKFNYFPB-HNNXBMFYSA-N 1 0 305.334 0.551 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000535757507 416527866 /nfs/dbraw/zinc/52/78/66/416527866.db2.gz MLBHTNKCGQVYSA-RYUDHWBXSA-N 1 0 314.455 0.344 10 0 DCAERO CC(C)N1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CC1=O ZINC000535264601 416520091 /nfs/dbraw/zinc/52/00/91/416520091.db2.gz LZZJNLMJDARZSO-CYBMUJFWSA-N 1 0 305.382 0.224 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000541831230 416612032 /nfs/dbraw/zinc/61/20/32/416612032.db2.gz FQUKBMUYBHYWFZ-LBPRGKRZSA-N 1 0 305.444 0.547 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542437209 416624363 /nfs/dbraw/zinc/62/43/63/416624363.db2.gz QGINKOSRAMLRBH-GFCCVEGCSA-N 1 0 323.445 0.791 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000542710990 416628445 /nfs/dbraw/zinc/62/84/45/416628445.db2.gz SDYUAUIUUYGKMV-GFCCVEGCSA-N 1 0 320.459 0.004 10 0 DCAERO CC(C)[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)[NH+]1CCCCC1 ZINC000367005288 416640094 /nfs/dbraw/zinc/64/00/94/416640094.db2.gz YZDUKXAEDUCRFG-BBRMVZONSA-N 1 0 311.426 0.336 10 0 DCAERO CN1CC[N@H+](C[C@H](O)CN2CCCC2=O)Cc2ccccc21 ZINC000369208924 416734147 /nfs/dbraw/zinc/73/41/47/416734147.db2.gz DATMYUCQBGYKJQ-HNNXBMFYSA-N 1 0 303.406 0.922 10 0 DCAERO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C1(CO)CCOCC1 ZINC000558863292 416795724 /nfs/dbraw/zinc/79/57/24/416795724.db2.gz BZYNGBVVGDKUMF-KBPBESRZSA-N 1 0 303.399 0.016 10 0 DCAERO C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H](C(N)=O)O1 ZINC000623704565 416871275 /nfs/dbraw/zinc/87/12/75/416871275.db2.gz ALMHAWCBWQSEOI-RYUDHWBXSA-N 1 0 312.414 0.145 10 0 DCAERO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000369926066 416850484 /nfs/dbraw/zinc/85/04/84/416850484.db2.gz HPGBFXIVDALSDI-NCOADZHNSA-N 1 0 321.465 0.945 10 0 DCAERO CC(=O)c1cccc(S(=O)(=O)NCCOCCC[NH3+])c1 ZINC000624406970 417031252 /nfs/dbraw/zinc/03/12/52/417031252.db2.gz QKDWRZPNKOUYHV-UHFFFAOYSA-N 1 0 300.380 0.533 10 0 DCAERO CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000624414992 417036311 /nfs/dbraw/zinc/03/63/11/417036311.db2.gz NPYMTQFRENGUPW-IINYFYTJSA-N 1 0 311.407 0.698 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000568126781 417081897 /nfs/dbraw/zinc/08/18/97/417081897.db2.gz ZOAOQMREFLKBBX-MCIONIFRSA-N 1 0 309.410 0.367 10 0 DCAERO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCS1(=O)=O ZINC000381176816 417087388 /nfs/dbraw/zinc/08/73/88/417087388.db2.gz PHEFBWUZBXFFJW-KVSVUVNWSA-N 1 0 300.424 0.599 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405883585 417125127 /nfs/dbraw/zinc/12/51/27/417125127.db2.gz URQWKNLIEYYFAW-YNEHKIRRSA-N 1 0 305.444 0.401 10 0 DCAERO CCNC(=O)CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408164299 417146719 /nfs/dbraw/zinc/14/67/19/417146719.db2.gz HQELVIJLCNZKNU-CYBMUJFWSA-N 1 0 310.442 0.140 10 0 DCAERO CC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1F ZINC000626911457 417173326 /nfs/dbraw/zinc/17/33/26/417173326.db2.gz JHJLFXFHSGLMJR-ISVAXAHUSA-N 1 0 307.325 0.833 10 0 DCAERO CSc1nnc(CNC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000526109946 417182501 /nfs/dbraw/zinc/18/25/01/417182501.db2.gz NQFYRCPPPKRLIY-UHFFFAOYSA-N 1 0 324.435 0.988 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CC12COC2 ZINC000451131958 417302662 /nfs/dbraw/zinc/30/26/62/417302662.db2.gz HXEVBNOKMBPEGW-QWHCGFSZSA-N 1 0 312.410 0.753 10 0 DCAERO 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/nfs/dbraw/zinc/10/64/81/261106481.db2.gz QBJKOPPFBVXWED-CHWSQXEVSA-N 1 0 305.444 0.416 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](n3cncn3)C2)CC1 ZINC000105923170 261107757 /nfs/dbraw/zinc/10/77/57/261107757.db2.gz STYJSHXDAYNAOS-OAHLLOKOSA-N 1 0 320.441 0.516 10 0 DCAERO CNC(=O)[C@@H]([NH2+]C[C@H](O)COCc1cccs1)C(C)C ZINC000183669692 261116196 /nfs/dbraw/zinc/11/61/96/261116196.db2.gz UIGBWUMXSOHTRR-AAEUAGOBSA-N 1 0 300.424 0.986 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)C1CCC(C(=O)OC)CC1 ZINC000183915761 261117591 /nfs/dbraw/zinc/11/75/91/261117591.db2.gz CIXLGVBUJKSPMU-UHFFFAOYSA-N 1 0 300.399 0.396 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C)(CO)CC1 ZINC000184718435 261119035 /nfs/dbraw/zinc/11/90/35/261119035.db2.gz SWIYLVWGVQJXHR-CQSZACIVSA-N 1 0 313.442 0.901 10 0 DCAERO C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCN1CCO ZINC000187254946 261122906 /nfs/dbraw/zinc/12/29/06/261122906.db2.gz MXEZJFRETBBBCY-CQSZACIVSA-N 1 0 305.422 0.887 10 0 DCAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C1 ZINC000187956370 261125077 /nfs/dbraw/zinc/12/50/77/261125077.db2.gz QQSGWBFRFWSPPV-XJKSGUPXSA-N 1 0 311.426 0.208 10 0 DCAERO C[NH+]1CCC(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000362759186 262068301 /nfs/dbraw/zinc/06/83/01/262068301.db2.gz LKUJOEIEBUCCAR-CYBMUJFWSA-N 1 0 317.455 0.245 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000173032267 533687477 /nfs/dbraw/zinc/68/74/77/533687477.db2.gz XIFRZHYQYMDZMZ-RDBSUJKOSA-N 1 0 319.471 0.662 10 0 DCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488737428 272049326 /nfs/dbraw/zinc/04/93/26/272049326.db2.gz WYAVZJKFNLGYRI-RDBSUJKOSA-N 1 0 312.410 0.633 10 0 DCAERO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000488738937 272050124 /nfs/dbraw/zinc/05/01/24/272050124.db2.gz ZZONEJRRZHMCPC-QWRGUYRKSA-N 1 0 311.407 0.777 10 0 DCAERO COC[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000527123979 272602022 /nfs/dbraw/zinc/60/20/22/272602022.db2.gz BTELLARMPCWOFZ-QPSCCSFWSA-N 1 0 303.399 0.279 10 0 DCAERO COc1ccccc1CC1(O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000373966430 274156865 /nfs/dbraw/zinc/15/68/65/274156865.db2.gz BHEVECGUMMSPMF-CQSZACIVSA-N 1 0 304.390 0.953 10 0 DCAERO CS(=O)(=O)C1(C(=O)N[C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC000262291713 274171792 /nfs/dbraw/zinc/17/17/92/274171792.db2.gz YNXUFAAHYQRGML-AWEZNQCLSA-N 1 0 322.430 0.957 10 0 DCAERO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261851875 274199215 /nfs/dbraw/zinc/19/92/15/274199215.db2.gz VWDAOBNRQLHKGM-GZBFAFLISA-N 1 0 322.453 0.173 10 0 DCAERO CC(=O)Nc1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cs1 ZINC000116791533 275496711 /nfs/dbraw/zinc/49/67/11/275496711.db2.gz XJLKOMFJRDREQX-SNVBAGLBSA-N 1 0 312.395 0.504 10 0 DCAERO CCN(C)C(=O)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262269702 276068730 /nfs/dbraw/zinc/06/87/30/276068730.db2.gz MTSPINYPGUAVKN-KBPBESRZSA-N 1 0 305.378 0.089 10 0 DCAERO CC[N@H+](CCNC(=O)N1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000111849949 276346270 /nfs/dbraw/zinc/34/62/70/276346270.db2.gz CILGHEFMDVLHHD-HNNXBMFYSA-N 1 0 321.425 0.778 10 0 DCAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C3CC3)C(=O)C2)C1(C)C ZINC000261720679 276367041 /nfs/dbraw/zinc/36/70/41/276367041.db2.gz FBEKKJQYFXIWKI-LRDDRELGSA-N 1 0 309.410 0.352 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000177713485 276377477 /nfs/dbraw/zinc/37/74/77/276377477.db2.gz WDJNQSWKHHVEGB-RYUDHWBXSA-N 1 0 307.446 0.997 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)co1 ZINC000540515486 287904087 /nfs/dbraw/zinc/90/40/87/287904087.db2.gz FYKLAYWUIKEZIA-UHFFFAOYSA-N 1 0 303.384 0.211 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157939650 277019792 /nfs/dbraw/zinc/01/97/92/277019792.db2.gz ZFPIXAQULHTQGN-JKSUJKDBSA-N 1 0 301.390 0.910 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000172793170 277045103 /nfs/dbraw/zinc/04/51/03/277045103.db2.gz 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/nfs/dbraw/zinc/36/73/39/337367339.db2.gz RUDOSQUZCYANKX-UHFFFAOYSA-N 1 0 311.407 0.324 10 0 DCAERO C[C@H]1C[NH+](CC2CCN(C(=O)c3cn[nH]n3)CC2)C[C@H](C)O1 ZINC000171225381 533919865 /nfs/dbraw/zinc/91/98/65/533919865.db2.gz DGUJMVHJMFYSAK-RYUDHWBXSA-N 1 0 307.398 0.766 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CCOCC1 ZINC000246698558 534002364 /nfs/dbraw/zinc/00/23/64/534002364.db2.gz ZGLWLMUYLWCWPN-JSGCOSHPSA-N 1 0 302.440 0.911 10 0 DCAERO COC(=O)c1cccc(OCCN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000187668014 534279814 /nfs/dbraw/zinc/27/98/14/534279814.db2.gz QQBHBSNMMIWOLH-CQSZACIVSA-N 1 0 322.405 0.850 10 0 DCAERO CC(=O)NC1CN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000189925295 519648455 /nfs/dbraw/zinc/64/84/55/519648455.db2.gz OLPJEPQSIZSXBJ-HNNXBMFYSA-N 1 0 322.384 0.958 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000118781655 519677161 /nfs/dbraw/zinc/67/71/61/519677161.db2.gz XPFQZRBDBLAYJB-GFCCVEGCSA-N 1 0 324.425 0.553 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC000246832105 521644707 /nfs/dbraw/zinc/64/47/07/521644707.db2.gz QFQBKEYCGLPHBZ-CABCVRRESA-N 1 0 310.442 0.981 10 0 DCAERO COCCSCCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000365133630 521776116 /nfs/dbraw/zinc/77/61/16/521776116.db2.gz OKLLKVCZGXPRBB-CYBMUJFWSA-N 1 0 301.412 0.430 10 0 DCAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000189031335 522094310 /nfs/dbraw/zinc/09/43/10/522094310.db2.gz LKKFAQLHXHUZBU-JTQLQIEISA-N 1 0 301.350 0.484 10 0 DCAERO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262569086 523375648 /nfs/dbraw/zinc/37/56/48/523375648.db2.gz YPWWCKBRXYDFQV-GJZGRUSLSA-N 1 0 303.406 0.968 10 0 DCAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859533 534706800 /nfs/dbraw/zinc/70/68/00/534706800.db2.gz YZONJEILDYIEGG-NSHDSACASA-N 1 0 317.397 0.028 10 0 DCAERO Cc1ncc(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)s1 ZINC000261726210 534738916 /nfs/dbraw/zinc/73/89/16/534738916.db2.gz 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ZINC000246170983 526963466 /nfs/dbraw/zinc/96/34/66/526963466.db2.gz JCAMAHKOPOEYBG-HUUCEWRRSA-N 1 0 322.453 0.128 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1CC ZINC000188465247 528735629 /nfs/dbraw/zinc/73/56/29/528735629.db2.gz DYAVXXAEHZQCFZ-HNNXBMFYSA-N 1 0 311.426 0.424 10 0 DCAERO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180130943 529009849 /nfs/dbraw/zinc/00/98/49/529009849.db2.gz APIMIHVTEHCQMC-ZYHUDNBSSA-N 1 0 302.396 0.382 10 0 DCAERO CCCc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n2ncnc2n1 ZINC000284481830 535398827 /nfs/dbraw/zinc/39/88/27/535398827.db2.gz GPONVVZWLXSWIA-KBPBESRZSA-N 1 0 316.409 0.986 10 0 DCAERO COCC(=O)Nc1ccc2c(c1)O[C@@H](C)C(=O)N2CC[NH+](C)C ZINC000016676853 536772921 /nfs/dbraw/zinc/77/29/21/536772921.db2.gz MKWWVYSSVSHRAW-NSHDSACASA-N 1 0 321.377 0.947 10 0 DCAERO CN[C@](C)(Cn1cc(I)cn1)C(=O)OC ZINC000070678504 545660724 /nfs/dbraw/zinc/66/07/24/545660724.db2.gz DNKOPULYEVLSPW-SECBINFHSA-N 1 0 323.134 0.639 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000078643767 545682050 /nfs/dbraw/zinc/68/20/50/545682050.db2.gz QOIMMAIPEGIBHH-CHWSQXEVSA-N 1 0 319.471 0.614 10 0 DCAERO CN1CCO[C@@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681298 545718108 /nfs/dbraw/zinc/71/81/08/545718108.db2.gz MQSCTOBPCWVVBC-VIFPVBQESA-N 1 0 306.391 0.939 10 0 DCAERO CC(C)([NH3+])c1cn(C[C@H]2CCCN(S(C)(=O)=O)C2)nn1 ZINC000093701238 545727262 /nfs/dbraw/zinc/72/72/62/545727262.db2.gz GZORWBROWAUVFL-SNVBAGLBSA-N 1 0 301.416 0.144 10 0 DCAERO NC(=O)C1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111244186 545734050 /nfs/dbraw/zinc/73/40/50/545734050.db2.gz IQZYSPMNXPATMH-SHVIVCPWSA-N 1 0 307.316 0.689 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000177922418 545892769 /nfs/dbraw/zinc/89/27/69/545892769.db2.gz WHBOKEPHXXBYDV-CYBMUJFWSA-N 1 0 305.382 0.394 10 0 DCAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)C(=O)C1 ZINC000181059345 545902460 /nfs/dbraw/zinc/90/24/60/545902460.db2.gz BFMHFDNGXAXHGX-AWEZNQCLSA-N 1 0 318.421 0.991 10 0 DCAERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC(=O)NC1CC1 ZINC000193080321 545930093 /nfs/dbraw/zinc/93/00/93/545930093.db2.gz VESFZIRDRVSOCJ-UHFFFAOYSA-N 1 0 308.426 0.782 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237360279 545954700 /nfs/dbraw/zinc/95/47/00/545954700.db2.gz SZNAGNQOTFCTEO-IJLUTSLNSA-N 1 0 303.428 0.044 10 0 DCAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000238031102 545958736 /nfs/dbraw/zinc/95/87/36/545958736.db2.gz WNCGBJXIGAMVST-IAGOWNOFSA-N 1 0 315.417 0.634 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000262063812 545978622 /nfs/dbraw/zinc/97/86/22/545978622.db2.gz BASYTDGKFIEFFG-YGRLFVJLSA-N 1 0 304.325 0.322 10 0 DCAERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)OCCO2 ZINC000262071313 545978726 /nfs/dbraw/zinc/97/87/26/545978726.db2.gz BQKOHPGDSOVJPM-YPMHNXCESA-N 1 0 320.389 0.432 10 0 DCAERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000262071308 545978838 /nfs/dbraw/zinc/97/88/38/545978838.db2.gz BQKOHPGDSOVJPM-DGCLKSJQSA-N 1 0 320.389 0.432 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Br)ccc1F ZINC000262136996 545979220 /nfs/dbraw/zinc/97/92/20/545979220.db2.gz GVKXKGDYNVZSEZ-WRWORJQWSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262146490 545979583 /nfs/dbraw/zinc/97/95/83/545979583.db2.gz HNMYLUWIOLVJIF-RISCZKNCSA-N 1 0 310.781 0.999 10 0 DCAERO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262148584 545980200 /nfs/dbraw/zinc/98/02/00/545980200.db2.gz HQCMPMDOCMWJBH-HIFRSBDPSA-N 1 0 315.373 0.889 10 0 DCAERO CCc1nc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nn1-c1ccccc1 ZINC000262206097 545980203 /nfs/dbraw/zinc/98/02/03/545980203.db2.gz INZPCMRYTYRQSJ-AAEUAGOBSA-N 1 0 315.377 0.140 10 0 DCAERO Cc1nc(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc2)n[nH]1 ZINC000262229230 545981299 /nfs/dbraw/zinc/98/12/99/545981299.db2.gz KECSPKPDDDSEFZ-OLZOCXBDSA-N 1 0 301.350 0.090 10 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/nfs/dbraw/zinc/22/84/23/546228423.db2.gz GMZAYPXNJIPMEO-UONOGXRCSA-N 1 0 302.440 0.647 10 0 DCAERO C[C@H]([NH3+])c1nc(-c2nc([C@@H]3CN4CCN3CC4)no2)cs1 ZINC000094506162 661154862 /nfs/dbraw/zinc/15/48/62/661154862.db2.gz BGUNKXAVXGQZMK-WPRPVWTQSA-N 1 0 306.395 0.885 10 0 DCAERO O=C(N1CCOCC1)[C@]12C[N@H+](Cc3ccon3)C[C@@H]1COCC2 ZINC000888097238 661176486 /nfs/dbraw/zinc/17/64/86/661176486.db2.gz FXPAGDUFXHRLRO-CZUORRHYSA-N 1 0 321.377 0.372 10 0 DCAERO Cc1ncncc1C(=O)NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000888102889 661182874 /nfs/dbraw/zinc/18/28/74/661182874.db2.gz SSBGJQCLZYUXDX-AWEZNQCLSA-N 1 0 313.361 0.851 10 0 DCAERO O=S(=O)(NCCN1CC[NH2+]CC1)c1cccc2ncccc21 ZINC000238045992 665424539 /nfs/dbraw/zinc/42/45/39/665424539.db2.gz LTPQFBKHPMDXHL-UHFFFAOYSA-N 1 0 320.418 0.418 10 0 DCAERO COCCN1CCN(c2nnnn2Cc2ccccc2)C[C@H]1C ZINC000892355586 657719603 /nfs/dbraw/zinc/71/96/03/657719603.db2.gz WKYJELFMKJPRDU-CQSZACIVSA-N 1 0 316.409 0.878 10 0 DCAERO CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCCOC)cn2)CC1 ZINC000066245259 657803708 /nfs/dbraw/zinc/80/37/08/657803708.db2.gz HPZIHTVCIOZWHR-UHFFFAOYSA-N 1 0 320.441 0.274 10 0 DCAERO O[C@H](C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)COCc1ccccc1 ZINC000724614287 658695175 /nfs/dbraw/zinc/69/51/75/658695175.db2.gz WXNNUUICMZXRCW-NCOADZHNSA-N 1 0 307.390 0.958 10 0 DCAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000888076480 658713349 /nfs/dbraw/zinc/71/33/49/658713349.db2.gz NXBUTKQLDDTUTL-OAHLLOKOSA-N 1 0 304.398 0.601 10 0 DCAERO O=S(=O)(C1C[NH2+]C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000722222247 659383059 /nfs/dbraw/zinc/38/30/59/659383059.db2.gz NUEFCIUMZRNNMQ-CYBMUJFWSA-N 1 0 300.355 0.501 10 0 DCAERO O=S(=O)(C1C[NH2+]C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000722222249 659383679 /nfs/dbraw/zinc/38/36/79/659383679.db2.gz NUEFCIUMZRNNMQ-ZDUSSCGKSA-N 1 0 300.355 0.501 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C(F)F)C1 ZINC000194254929 659491666 /nfs/dbraw/zinc/49/16/66/659491666.db2.gz JKSXECHWDVCVEZ-NEPJUHHUSA-N 1 0 321.368 0.773 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(CC(F)F)n1 ZINC000194371151 659497636 /nfs/dbraw/zinc/49/76/36/659497636.db2.gz MOUSUICJEGALNK-NSHDSACASA-N 1 0 316.352 0.725 10 0 DCAERO C[C@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000249542949 661550035 /nfs/dbraw/zinc/55/00/35/661550035.db2.gz FLOPQRMWGLQZCF-XHDPSFHLSA-N 1 0 300.349 0.997 10 0 DCAERO CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)C[C@@H](C)[NH3+])C2)no1 ZINC000261787466 661679171 /nfs/dbraw/zinc/67/91/71/661679171.db2.gz CDMDZXZKBMSMEB-VXGBXAGGSA-N 1 0 309.414 0.963 10 0 DCAERO O=C(CNC(=O)c1cc2c(s1)CCCC2)NCC1C[NH2+]C1 ZINC000261932258 661859593 /nfs/dbraw/zinc/85/95/93/661859593.db2.gz LKBZXTSKNBLVIR-UHFFFAOYSA-N 1 0 307.419 0.692 10 0 DCAERO CN1CC[N@H+](CC2CC(NC(=O)OC(C)(C)C)C2)[C@H](CO)C1 ZINC000895479654 662188225 /nfs/dbraw/zinc/18/82/25/662188225.db2.gz JQBNUESLPPEGLI-RUXDESIVSA-N 1 0 313.442 0.898 10 0 DCAERO CCOc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)c(C(N)=O)c1 ZINC000262307647 662318625 /nfs/dbraw/zinc/31/86/25/662318625.db2.gz BLNGTWXWMRKLLX-SNVBAGLBSA-N 1 0 307.350 0.501 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000262427949 662380502 /nfs/dbraw/zinc/38/05/02/662380502.db2.gz SMYJMLDRLOACQV-CYBMUJFWSA-N 1 0 301.350 0.262 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000089741937 662526039 /nfs/dbraw/zinc/52/60/39/662526039.db2.gz HLTKMPXCJVYMGB-QWRGUYRKSA-N 1 0 311.407 0.511 10 0 DCAERO COc1cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)sn1 ZINC000721256572 663086560 /nfs/dbraw/zinc/08/65/60/663086560.db2.gz RQTMCEHEEMOXNG-LLVKDONJSA-N 1 0 306.409 0.445 10 0 DCAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900615559 663261805 /nfs/dbraw/zinc/26/18/05/663261805.db2.gz AAYSNFNYYZRDFZ-DVOMOZLQSA-N 1 0 321.425 0.459 10 0 DCAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)C1 ZINC000908096055 663733041 /nfs/dbraw/zinc/73/30/41/663733041.db2.gz LSHCBFFGIVCZTR-CJNGLKHVSA-N 1 0 321.425 0.737 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)nc1 ZINC000151551230 664686990 /nfs/dbraw/zinc/68/69/90/664686990.db2.gz DUDVZXMVYGDUIO-GFCCVEGCSA-N 1 0 324.356 0.122 10 0 DCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000700618044 666748153 /nfs/dbraw/zinc/74/81/53/666748153.db2.gz CAHGMICOVIKFSP-BZUAXINKSA-N 1 0 324.446 0.399 10 0 DCAERO CCOC(=O)[C@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702404423 666954716 /nfs/dbraw/zinc/95/47/16/666954716.db2.gz ZHDUHVOWLHXTJL-GXTWGEPZSA-N 1 0 307.394 0.514 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1Cl ZINC000702439147 666956113 /nfs/dbraw/zinc/95/61/13/666956113.db2.gz YDASREWJKOHELE-SKDRFNHKSA-N 1 0 318.830 0.646 10 0 DCAERO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702834404 667001823 /nfs/dbraw/zinc/00/18/23/667001823.db2.gz XFFHRWYSQJLFKK-YPMHNXCESA-N 1 0 310.398 0.738 10 0 DCAERO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1 ZINC000702846681 667010574 /nfs/dbraw/zinc/01/05/74/667010574.db2.gz RMZLYTYPVIGKDD-CMPLNLGQSA-N 1 0 311.386 0.133 10 0 DCAERO Cc1nnc(CN2CC[NH+](CCCc3cnn(C)c3)CC2)[nH]1 ZINC000735872816 667049397 /nfs/dbraw/zinc/04/93/97/667049397.db2.gz XVMJFNZNKULQHH-UHFFFAOYSA-N 1 0 303.414 0.597 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000717329251 667625821 /nfs/dbraw/zinc/62/58/21/667625821.db2.gz JURIWUDHGCJNJM-ZLKJLUDKSA-N 1 0 303.786 0.549 10 0 DCAERO [NH3+][C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000122730253 667676359 /nfs/dbraw/zinc/67/63/59/667676359.db2.gz MBBGEEAMBKJSAY-MRVPVSSYSA-N 1 0 300.771 0.709 10 0 DCAERO CC(C)n1ccc(CC(=O)N2CCN(CC[NH+](C)C)CC2)n1 ZINC000742490046 667792410 /nfs/dbraw/zinc/79/24/10/667792410.db2.gz JAFSSPBGNPJOEN-UHFFFAOYSA-N 1 0 307.442 0.712 10 0 DCAERO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)N1CCCCCC1 ZINC000717041929 667822804 /nfs/dbraw/zinc/82/28/04/667822804.db2.gz CGGCMSRWRICKEY-LLVKDONJSA-N 1 0 311.398 0.942 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717052773 667867257 /nfs/dbraw/zinc/86/72/57/667867257.db2.gz WGDHJWCXXGACMQ-WDEREUQCSA-N 1 0 311.398 0.940 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)N2CCCC2)CC[C@H]1C(F)(F)F ZINC000717066751 668200746 /nfs/dbraw/zinc/20/07/46/668200746.db2.gz OCXGRJOLSAGZHC-RKDXNWHRSA-N 1 0 301.334 0.539 10 0 DCAERO CO[C@H]1C[N@H+](CC(=O)N2CCC3(CC2)OCCO3)CC[C@H]1C ZINC000189308297 670110224 /nfs/dbraw/zinc/11/02/24/670110224.db2.gz DQUDIDIFAWMVBP-KGLIPLIRSA-N 1 0 312.410 0.709 10 0 DCAERO Cn1cc(CN2CCC[C@@H]([NH2+]CCO)C2)c(Br)n1 ZINC000712434141 670148721 /nfs/dbraw/zinc/14/87/21/670148721.db2.gz IWAOANTZPZGTFJ-LLVKDONJSA-N 1 0 317.231 0.729 10 0 DCAERO CCOC(=O)CC[C@@H](O)C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714359897 670184429 /nfs/dbraw/zinc/18/44/29/670184429.db2.gz PDLKQUGTBOLMSO-NEPJUHHUSA-N 1 0 307.412 0.248 10 0 DCAERO O=C(NCc1ncc(Br)s1)[C@H]1C[NH2+]CCOC1 ZINC000714939178 670196813 /nfs/dbraw/zinc/19/68/13/670196813.db2.gz LRHBFQUOXOWTKM-ZETCQYMHSA-N 1 0 320.212 0.758 10 0 DCAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000037015547 670216778 /nfs/dbraw/zinc/21/67/78/670216778.db2.gz VSINKPHXCQSAKK-SNVBAGLBSA-N 1 0 311.407 0.511 10 0 DCAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)C1 ZINC000858766842 671040173 /nfs/dbraw/zinc/04/01/73/671040173.db2.gz UWYBFWLKPBHKTF-WFASDCNBSA-N 1 0 322.413 0.140 10 0 DCAERO C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000720792797 685314369 /nfs/dbraw/zinc/31/43/69/685314369.db2.gz FFXASWNWWQYAFM-GJMOJQLCSA-N 1 0 302.318 0.015 10 0 DCAERO CCc1ncc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721211605 685318213 /nfs/dbraw/zinc/31/82/13/685318213.db2.gz MGHIUUYNIRVNGX-GFCCVEGCSA-N 1 0 304.437 0.999 10 0 DCAERO [NH2+]=C(NCCNC(=O)c1ccc(O)cc1)NC[C@@H]1CCCO1 ZINC000066245458 685065513 /nfs/dbraw/zinc/06/55/13/685065513.db2.gz JFMXMCAVWHXCEQ-ZDUSSCGKSA-N 1 0 306.366 0.205 10 0 DCAERO O=C1NC2(CCCCC2)C(=O)N1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247044973 685169606 /nfs/dbraw/zinc/16/96/06/685169606.db2.gz LBQVDYHGOOFYRT-ZDUSSCGKSA-N 1 0 306.410 0.979 10 0 DCAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1nnnn1C1CC1 ZINC000249555414 685181908 /nfs/dbraw/zinc/18/19/08/685181908.db2.gz LQYRQBJBFHPQLF-GVXVVHGQSA-N 1 0 319.413 0.947 10 0 DCAERO CO[C@@H]1C[N@H+](CC(=O)N2CCC3(CC2)OCCO3)CC[C@@H]1C ZINC000251541091 685185512 /nfs/dbraw/zinc/18/55/12/685185512.db2.gz DQUDIDIFAWMVBP-UONOGXRCSA-N 1 0 312.410 0.709 10 0 DCAERO C[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)CCN1c1nccn2cnnc12 ZINC000270557758 685191379 /nfs/dbraw/zinc/19/13/79/685191379.db2.gz WIMKVYPXWPVPPF-HZSPNIEDSA-N 1 0 316.409 0.938 10 0 DCAERO CC(C)[C@H](NC(N)=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000068027709 1173781818 /nfs/dbraw/zinc/78/18/18/1173781818.db2.gz BEMPWPSUTDRJJK-AWEZNQCLSA-N 1 0 306.410 0.928 10 0 DCAERO CS(=O)(=O)CCC[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC000085937102 1175043295 /nfs/dbraw/zinc/04/32/95/1175043295.db2.gz NWXRYUVBANPMKC-UHFFFAOYSA-N 1 0 302.440 0.850 10 0 DCAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000092394860 1175590712 /nfs/dbraw/zinc/59/07/12/1175590712.db2.gz NWURVYYPBABVKO-KBPBESRZSA-N 1 0 301.408 0.730 10 0 DCAERO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000245857571 1182942279 /nfs/dbraw/zinc/94/22/79/1182942279.db2.gz GVFWPNGFULNAJG-HUUCEWRRSA-N 1 0 314.426 0.391 10 0 DCAERO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCC1C[NH2+]C1 ZINC000261956711 1185161058 /nfs/dbraw/zinc/16/10/58/1185161058.db2.gz QYNVYZFTVPOZFX-CQSZACIVSA-N 1 0 307.369 0.916 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CO)C(C)(C)C1 ZINC000300810309 747247327 /nfs/dbraw/zinc/24/73/27/747247327.db2.gz HBFHZMMUACJHBR-NEPJUHHUSA-N 1 0 302.415 0.965 10 0 DCAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405341377 774161241 /nfs/dbraw/zinc/16/12/41/774161241.db2.gz IJOGIXALSIWNMJ-VHSXEESVSA-N 1 0 313.448 0.560 10 0 DCAERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(=O)N1CCOCC1 ZINC000176453752 529509240 /nfs/dbraw/zinc/50/92/40/529509240.db2.gz UEONERGLMJAYBC-STQMWFEESA-N 1 0 312.414 0.017 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180659589 282196176 /nfs/dbraw/zinc/19/61/76/282196176.db2.gz SXLMJOLQYVGCPM-LLVKDONJSA-N 1 0 307.398 0.739 10 0 DCAERO C[NH2+]CCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000122974077 290655189 /nfs/dbraw/zinc/65/51/89/290655189.db2.gz SNNYKAHZNKGXAD-FZMZJTMJSA-N 1 0 302.440 0.911 10 0 DCAERO C[NH+](C)[C@H]1CCCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280091 282255690 /nfs/dbraw/zinc/25/56/90/282255690.db2.gz YEXXXXOAXCCJHT-KGLIPLIRSA-N 1 0 310.442 0.126 10 0 DCAERO Cc1nn(C)c2nccc(N3CCC[C@@H](C(=O)NCC[NH3+])C3)c12 ZINC000422545441 282289816 /nfs/dbraw/zinc/28/98/16/282289816.db2.gz WZFWWQHCTSTYBO-GFCCVEGCSA-N 1 0 316.409 0.568 10 0 DCAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000097027105 185398714 /nfs/dbraw/zinc/39/87/14/185398714.db2.gz QJENFFCGZOMFJX-GJZGRUSLSA-N 1 0 314.426 0.343 10 0 DCAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000097027104 185398904 /nfs/dbraw/zinc/39/89/04/185398904.db2.gz QJENFFCGZOMFJX-LSDHHAIUSA-N 1 0 314.426 0.343 10 0 DCAERO CNC(=O)[C@H](NC(=O)NC1CC[NH+](CCOC)CC1)C(C)C ZINC000178451625 529919387 /nfs/dbraw/zinc/91/93/87/529919387.db2.gz FHALFVKZEKLGLN-CYBMUJFWSA-N 1 0 314.430 0.167 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000173349460 186179484 /nfs/dbraw/zinc/17/94/84/186179484.db2.gz YFFVQIWRROCKGN-MNOVXSKESA-N 1 0 316.365 0.762 10 0 DCAERO CC[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)CC[N@@H+]1CCOC ZINC000183884084 186227538 /nfs/dbraw/zinc/22/75/38/186227538.db2.gz VBYNCGGRXLINMN-GFCCVEGCSA-N 1 0 323.397 0.355 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCO1 ZINC000172046692 198030698 /nfs/dbraw/zinc/03/06/98/198030698.db2.gz WCHDMGHDOMJDMS-CYBMUJFWSA-N 1 0 306.366 0.580 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000172793180 198150069 /nfs/dbraw/zinc/15/00/69/198150069.db2.gz SIIBFDGBILJZOW-HNNXBMFYSA-N 1 0 305.426 0.581 10 0 DCAERO CCOC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072975345 191260755 /nfs/dbraw/zinc/26/07/55/191260755.db2.gz YGGSEEMCQCDGMP-KBPBESRZSA-N 1 0 311.426 0.459 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)ncn1 ZINC000173416844 198212557 /nfs/dbraw/zinc/21/25/57/198212557.db2.gz JDXIZQWKQLKADR-CYBMUJFWSA-N 1 0 320.441 0.944 10 0 DCAERO CC(C)(C)C(=O)NCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174532360 198348013 /nfs/dbraw/zinc/34/80/13/198348013.db2.gz BSRSCKQYVGRDCA-CYBMUJFWSA-N 1 0 308.426 0.804 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000182112555 199388333 /nfs/dbraw/zinc/38/83/33/199388333.db2.gz TZHXPGKESYMZKV-CYBMUJFWSA-N 1 0 321.425 0.960 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(Cl)cn2)CC1=O ZINC000182132409 199391106 /nfs/dbraw/zinc/39/11/06/199391106.db2.gz VPMYJQVFFRMZNQ-LLVKDONJSA-N 1 0 324.812 0.761 10 0 DCAERO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000236819225 202025419 /nfs/dbraw/zinc/02/54/19/202025419.db2.gz 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ZINC000176870006 237205675 /nfs/dbraw/zinc/20/56/75/237205675.db2.gz JPEFURXQSCSBMT-NEPJUHHUSA-N 1 0 305.444 0.209 10 0 DCAERO CNC(=O)CCC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000154681611 291215181 /nfs/dbraw/zinc/21/51/81/291215181.db2.gz BIKNLXMBJZDFMC-LBPRGKRZSA-N 1 0 305.444 0.116 10 0 DCAERO CC(C)[C@H](O)CC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000154701278 291215190 /nfs/dbraw/zinc/21/51/90/291215190.db2.gz ZOURGWJTFGFCEM-GXTWGEPZSA-N 1 0 311.426 0.205 10 0 DCAERO COC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000155446507 291219635 /nfs/dbraw/zinc/21/96/35/291219635.db2.gz YADWVBBWHAWTGI-HNNXBMFYSA-N 1 0 318.421 0.988 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000155567786 291220261 /nfs/dbraw/zinc/22/02/61/291220261.db2.gz GXGHIOPASLOHCJ-UHFFFAOYSA-N 1 0 313.423 0.665 10 0 DCAERO C[N@H+](CCC(=O)OC(C)(C)C)C[C@H](O)CN1CCCC1=O ZINC000156873457 291226273 /nfs/dbraw/zinc/22/62/73/291226273.db2.gz RYWQAYJJNYSGFR-LBPRGKRZSA-N 1 0 300.399 0.633 10 0 DCAERO O=C(CN1CCN(Cc2ccccc2)CC1)NC1CC[NH2+]CC1 ZINC000262518324 238176488 /nfs/dbraw/zinc/17/64/88/238176488.db2.gz USGGCKZNFSBINV-UHFFFAOYSA-N 1 0 316.449 0.672 10 0 DCAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000261985522 296069267 /nfs/dbraw/zinc/06/92/67/296069267.db2.gz SCVHSLASQOYKJH-JJXSEGSLSA-N 1 0 307.438 0.840 10 0 DCAERO CC(C)C(=O)N1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091135225 193001961 /nfs/dbraw/zinc/00/19/61/193001961.db2.gz PRCHEKSHRBZLMA-ZDUSSCGKSA-N 1 0 313.467 0.845 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000300155995 291380723 /nfs/dbraw/zinc/38/07/23/291380723.db2.gz APHDKFDNJLDVFP-XQQFMLRXSA-N 1 0 318.439 0.684 10 0 DCAERO C[C@H]1CCC[C@@H](OC[C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000220687739 201579575 /nfs/dbraw/zinc/57/95/75/201579575.db2.gz HMHDUXFJFACCJF-ZQDZILKHSA-N 1 0 319.467 0.967 10 0 DCAERO CC[N@H+](C)CCNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000174382848 284333711 /nfs/dbraw/zinc/33/37/11/284333711.db2.gz QIMGADQXHWMFAQ-UHFFFAOYSA-N 1 0 305.444 0.593 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000266144790 205133393 /nfs/dbraw/zinc/13/33/93/205133393.db2.gz VKIHVDHIEHWMIG-JTQLQIEISA-N 1 0 313.379 0.270 10 0 DCAERO COC(=O)[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC000408311423 284364285 /nfs/dbraw/zinc/36/42/85/284364285.db2.gz YVWLYVIWYXLWJD-YPMHNXCESA-N 1 0 303.424 0.942 10 0 DCAERO CC[NH+]1CCN(CC(=O)Nc2cccc(C(N)=S)c2)CC1 ZINC000020007396 182177232 /nfs/dbraw/zinc/17/72/32/182177232.db2.gz LNCBSIAWIGGQBY-UHFFFAOYSA-N 1 0 306.435 0.897 10 0 DCAERO C[C@H]1CN(CC[NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000573631037 291645576 /nfs/dbraw/zinc/64/55/76/291645576.db2.gz PNBSEXIMPQHOHR-JTQLQIEISA-N 1 0 317.231 0.993 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000041106295 183165748 /nfs/dbraw/zinc/16/57/48/183165748.db2.gz HARFYPIZCLKVPU-AWEZNQCLSA-N 1 0 324.469 0.339 10 0 DCAERO Cc1cc(C)n(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(=O)n1 ZINC000274163229 211392177 /nfs/dbraw/zinc/39/21/77/211392177.db2.gz FSHWNIBPIBFCNZ-ZIAGYGMSSA-N 1 0 304.394 0.555 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CC3)CC2)C[C@H](C)O1 ZINC000105102738 194075114 /nfs/dbraw/zinc/07/51/14/194075114.db2.gz YBGYJCNJBLPJRL-GASCZTMLSA-N 1 0 324.469 0.975 10 0 DCAERO COCC[NH+]1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105193256 194083274 /nfs/dbraw/zinc/08/32/74/194083274.db2.gz JNMZWWABMURTHH-UHFFFAOYSA-N 1 0 310.442 0.587 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000105215487 194084454 /nfs/dbraw/zinc/08/44/54/194084454.db2.gz SVKAPQPXWMTHQS-OAHLLOKOSA-N 1 0 312.458 0.738 10 0 DCAERO CC[C@@H]1CN(CC(=O)Nc2cc(C)on2)CC[N@@H+]1CCOC ZINC000105835847 194141777 /nfs/dbraw/zinc/14/17/77/194141777.db2.gz FZHQOMUPMBEVQO-CYBMUJFWSA-N 1 0 310.398 0.964 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000123099126 284760480 /nfs/dbraw/zinc/76/04/80/284760480.db2.gz KPAMBFJYTKIXOR-LBPRGKRZSA-N 1 0 319.471 0.935 10 0 DCAERO Cc1cc(NC(=O)CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862039 194149114 /nfs/dbraw/zinc/14/91/14/194149114.db2.gz GSBHPYSOUBOQOD-GFCCVEGCSA-N 1 0 324.425 0.946 10 0 DCAERO Cc1ncn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000106440613 194214318 /nfs/dbraw/zinc/21/43/18/194214318.db2.gz JYKSIYLBKXESJL-HNNXBMFYSA-N 1 0 308.426 0.973 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000246324099 284799903 /nfs/dbraw/zinc/79/99/03/284799903.db2.gz CWZRCXASILXGAV-UPJWGTAASA-N 1 0 319.471 0.934 10 0 DCAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081867 184204882 /nfs/dbraw/zinc/20/48/82/184204882.db2.gz PRRCAAZPRGYWIV-CMPLNLGQSA-N 1 0 303.453 0.714 10 0 DCAERO Nc1ncc(Cl)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333292323 252702322 /nfs/dbraw/zinc/70/23/22/252702322.db2.gz OVFBVHCHVAIAIO-UHFFFAOYSA-N 1 0 316.814 0.834 10 0 DCAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262060658 220464906 /nfs/dbraw/zinc/46/49/06/220464906.db2.gz AUJFXTGPERWZQF-YUTCNCBUSA-N 1 0 311.426 0.158 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cncn1-c1ccc(F)cc1 ZINC000262060688 220465305 /nfs/dbraw/zinc/46/53/05/220465305.db2.gz AUYINPQLPAEEEJ-HZMBPMFUSA-N 1 0 304.325 0.322 10 0 DCAERO COCc1noc(CN2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)n1 ZINC000348030632 254214747 /nfs/dbraw/zinc/21/47/47/254214747.db2.gz MLUKZZPHBONPHP-STQMWFEESA-N 1 0 310.398 0.901 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1C[NH3+] ZINC000230852212 296397467 /nfs/dbraw/zinc/39/74/67/296397467.db2.gz PHCPPKPPMSPYDG-PSASIEDQSA-N 1 0 306.819 0.821 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC000176972796 285234085 /nfs/dbraw/zinc/23/40/85/285234085.db2.gz KDCAILNUQRYRFJ-LLVKDONJSA-N 1 0 305.444 0.257 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1cccnc1)C2 ZINC000247543901 257118576 /nfs/dbraw/zinc/11/85/76/257118576.db2.gz TWMOOKYGOKUELV-UONOGXRCSA-N 1 0 311.407 0.079 10 0 DCAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)C[C@H](O)[C@H](O)C2 ZINC000028765240 257269435 /nfs/dbraw/zinc/26/94/35/257269435.db2.gz VVBMERYDWHEPNU-BMFZPTHFSA-N 1 0 309.406 0.635 10 0 in-vitro DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000247349269 285385186 /nfs/dbraw/zinc/38/51/86/285385186.db2.gz JOLPCGLZDIUZNM-RYUDHWBXSA-N 1 0 305.444 0.067 10 0 DCAERO Cn1nccc1C[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275560698 130337905 /nfs/dbraw/zinc/33/79/05/130337905.db2.gz NUZPJHPOWUNTJS-GFCCVEGCSA-N 1 0 302.382 0.272 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000163953985 132128656 /nfs/dbraw/zinc/12/86/56/132128656.db2.gz WFLKZEPTJMBXTF-ZIAGYGMSSA-N 1 0 310.442 0.126 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000120227446 132142892 /nfs/dbraw/zinc/14/28/92/132142892.db2.gz WLSXGAWOAFXHON-UPJWGTAASA-N 1 0 300.399 0.129 10 0 DCAERO CSCCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000121995443 132161930 /nfs/dbraw/zinc/16/19/30/132161930.db2.gz ZXKHHFCZMJFQBH-QWHCGFSZSA-N 1 0 313.467 0.846 10 0 DCAERO CN1CC(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2C1=O ZINC000014751278 395689647 /nfs/dbraw/zinc/68/96/47/395689647.db2.gz XRLZJDDTMGQADO-OAHLLOKOSA-N 1 0 301.390 0.604 10 0 DCAERO O=C(CNc1ncncc1Br)N1CC[NH2+]CC1 ZINC000090781582 395719635 /nfs/dbraw/zinc/71/96/35/395719635.db2.gz WDIOMHVZIVRPBC-UHFFFAOYSA-N 1 0 300.160 0.083 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000028966927 395696799 /nfs/dbraw/zinc/69/67/99/395696799.db2.gz XGWZEPIHJAOHII-AWEZNQCLSA-N 1 0 322.453 0.271 10 0 DCAERO COc1cc(C[NH2+]CCCS(C)(=O)=O)cc2c1OCCO2 ZINC000038047789 395731573 /nfs/dbraw/zinc/73/15/73/395731573.db2.gz AMZODWDAWKHVNU-UHFFFAOYSA-N 1 0 315.391 0.991 10 0 DCAERO C[C@H](NC(=O)CN1CCC([NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC000193824293 395779486 /nfs/dbraw/zinc/77/94/86/395779486.db2.gz YKMSHKOMOMNSQM-AWEZNQCLSA-N 1 0 324.469 0.530 10 0 DCAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCOCC2 ZINC000097942836 395761483 /nfs/dbraw/zinc/76/14/83/395761483.db2.gz WQUPXAIRDLJECO-GFCCVEGCSA-N 1 0 302.440 0.769 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000108332867 395789361 /nfs/dbraw/zinc/78/93/61/395789361.db2.gz UAPLMSVVUHLKAD-ZDUSSCGKSA-N 1 0 314.389 0.855 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2OC)C1 ZINC000194158340 395789466 /nfs/dbraw/zinc/78/94/66/395789466.db2.gz UIOKGNJFZHSQNP-LLVKDONJSA-N 1 0 306.366 0.629 10 0 DCAERO CSCCCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193707670 395777422 /nfs/dbraw/zinc/77/74/22/395777422.db2.gz LIGVOGJHUXKAGV-GFCCVEGCSA-N 1 0 301.456 0.976 10 0 DCAERO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CNC(=O)C1 ZINC000194801113 395808255 /nfs/dbraw/zinc/80/82/55/395808255.db2.gz HDCRBOSMYCJZEA-OAHLLOKOSA-N 1 0 315.417 0.946 10 0 DCAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000194868353 395809977 /nfs/dbraw/zinc/80/99/77/395809977.db2.gz BRPHITLYGLKFHX-HUUCEWRRSA-N 1 0 301.390 0.903 10 0 DCAERO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000111683916 395812475 /nfs/dbraw/zinc/81/24/75/395812475.db2.gz OMKCURYAJHWSJL-GJZGRUSLSA-N 1 0 323.437 0.208 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCn1cccn1 ZINC000111813569 395814174 /nfs/dbraw/zinc/81/41/74/395814174.db2.gz RSKPTZAJSBTPNX-AWEZNQCLSA-N 1 0 309.414 0.683 10 0 DCAERO C[C@H](NC(N)=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195154587 395818534 /nfs/dbraw/zinc/81/85/34/395818534.db2.gz KVPAISLYSHPYBA-LBPRGKRZSA-N 1 0 304.394 0.955 10 0 DCAERO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000112548338 395819029 /nfs/dbraw/zinc/81/90/29/395819029.db2.gz XQQXCMBNXYEZQU-OLZOCXBDSA-N 1 0 309.414 0.711 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195319823 395824380 /nfs/dbraw/zinc/82/43/80/395824380.db2.gz QQBYEETXGITHEP-AWEZNQCLSA-N 1 0 317.389 0.732 10 0 DCAERO O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195330329 395824862 /nfs/dbraw/zinc/82/48/62/395824862.db2.gz 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/nfs/dbraw/zinc/91/82/29/395918229.db2.gz CUCTWXTZTGQSSZ-UHFFFAOYSA-N 1 0 321.425 0.905 10 0 DCAERO CNC(=O)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000052329355 395862726 /nfs/dbraw/zinc/86/27/26/395862726.db2.gz ARJWDGJNXKFFQV-GJZGRUSLSA-N 1 0 323.437 0.614 10 0 DCAERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000272290301 395882020 /nfs/dbraw/zinc/88/20/20/395882020.db2.gz BLVYRNZDKVZUFQ-GJZGRUSLSA-N 1 0 320.441 0.892 10 0 DCAERO O=S(=O)(NCCN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245913933 395938535 /nfs/dbraw/zinc/93/85/35/395938535.db2.gz JZIITSQDJIGHCL-AWEZNQCLSA-N 1 0 309.435 0.745 10 0 DCAERO CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000246178518 395943467 /nfs/dbraw/zinc/94/34/67/395943467.db2.gz JYOVGHLAMYELJI-OLZOCXBDSA-N 1 0 311.426 0.470 10 0 DCAERO CNC(=O)c1ccc(N[C@@H](C)CC[NH+]2CCN(C)CC2)nn1 ZINC000274431880 395947644 /nfs/dbraw/zinc/94/76/44/395947644.db2.gz FCJKZHFCMNHDMD-LBPRGKRZSA-N 1 0 306.414 0.274 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000246364002 395947847 /nfs/dbraw/zinc/94/78/47/395947847.db2.gz KMSHVCQABINXKK-RDBSUJKOSA-N 1 0 323.441 0.668 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000246898117 395960194 /nfs/dbraw/zinc/96/01/94/395960194.db2.gz FGAVJWURWFAJDV-GJZGRUSLSA-N 1 0 316.405 0.897 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000247024657 395964390 /nfs/dbraw/zinc/96/43/90/395964390.db2.gz ZNZOYEUSRRWTNN-PMPSAXMXSA-N 1 0 324.469 0.833 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247185838 395968976 /nfs/dbraw/zinc/96/89/76/395968976.db2.gz NWLTXHXONGPFSJ-GJZGRUSLSA-N 1 0 316.409 0.635 10 0 DCAERO C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000061635901 395969877 /nfs/dbraw/zinc/96/98/77/395969877.db2.gz MMFNDOKXQOHSAD-LLVKDONJSA-N 1 0 319.365 0.795 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000150824557 395973391 /nfs/dbraw/zinc/97/33/91/395973391.db2.gz JCAMAHKOPOEYBG-GJZGRUSLSA-N 1 0 322.453 0.128 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000247478230 395974051 /nfs/dbraw/zinc/97/40/51/395974051.db2.gz SKJKUNZLYQYBFD-GJZGRUSLSA-N 1 0 323.437 0.520 10 0 DCAERO C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N1CCOCC1 ZINC000247473744 395974357 /nfs/dbraw/zinc/97/43/57/395974357.db2.gz RXIXQGLBOJUZAF-KFWWJZLASA-N 1 0 310.442 0.585 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)N(C)CC(=O)NC1CC1 ZINC000151162696 395980317 /nfs/dbraw/zinc/98/03/17/395980317.db2.gz KRDVOYLSNLUSGZ-ZGKBOVNRSA-N 1 0 323.437 0.659 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248369879 395985346 /nfs/dbraw/zinc/98/53/46/395985346.db2.gz WUHNVDNLVDADSA-AWEZNQCLSA-N 1 0 310.442 0.141 10 0 DCAERO CC[C@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1C[C@H](C)O ZINC000248400542 395986034 /nfs/dbraw/zinc/98/60/34/395986034.db2.gz QEROVGQIRWVVMM-STQMWFEESA-N 1 0 310.398 0.129 10 0 DCAERO 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/nfs/dbraw/zinc/99/78/62/395997862.db2.gz ABXRJCGZKOLXHT-UHFFFAOYSA-N 1 0 320.393 0.040 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000252657633 396023547 /nfs/dbraw/zinc/02/35/47/396023547.db2.gz CMVIUOCARIPPNU-KBPBESRZSA-N 1 0 304.456 0.895 10 0 DCAERO CCCC[NH2+]C[C@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2 ZINC000256164375 396034246 /nfs/dbraw/zinc/03/42/46/396034246.db2.gz VSMUQFAEQWNNML-CWRNSKLLSA-N 1 0 309.406 0.636 10 0 DCAERO CC(C)C(=O)N1CC[C@@H](c2nnc3n2CC[N@@H+](CCO)CC3)C1 ZINC000257194090 396036338 /nfs/dbraw/zinc/03/63/38/396036338.db2.gz SMSMIEIFUYHVNA-CYBMUJFWSA-N 1 0 321.425 0.100 10 0 DCAERO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261846880 396071940 /nfs/dbraw/zinc/07/19/40/396071940.db2.gz RAYUFMUNEDSKKI-HUUCEWRRSA-N 1 0 313.442 0.213 10 0 DCAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)ccn1 ZINC000261633772 396050872 /nfs/dbraw/zinc/05/08/72/396050872.db2.gz CELQBZLQWLJDCC-CYBMUJFWSA-N 1 0 312.377 0.729 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261661129 396053511 /nfs/dbraw/zinc/05/35/11/396053511.db2.gz GXNGHCYCDHPZCG-DGCLKSJQSA-N 1 0 305.382 0.262 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000261670847 396054740 /nfs/dbraw/zinc/05/47/40/396054740.db2.gz BVOVFJXAXKWOJD-AWEZNQCLSA-N 1 0 306.410 0.952 10 0 DCAERO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261668873 396054924 /nfs/dbraw/zinc/05/49/24/396054924.db2.gz ALFZKWXWFFOVIV-QWHCGFSZSA-N 1 0 310.442 0.315 10 0 DCAERO O=C(NC[C@H](O)c1ccccc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000261696353 396058115 /nfs/dbraw/zinc/05/81/15/396058115.db2.gz SMBRLWZLUSHDSJ-KGLIPLIRSA-N 1 0 315.377 0.666 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000156279496 396061112 /nfs/dbraw/zinc/06/11/12/396061112.db2.gz GKBOGDJKACCBDS-GJZGRUSLSA-N 1 0 314.474 0.984 10 0 DCAERO [NH3+][C@H](C(=O)NCCC(=O)Nc1ccncc1)C1CCOCC1 ZINC000261782720 396064902 /nfs/dbraw/zinc/06/49/02/396064902.db2.gz NBRGQXLLHHFSRP-AWEZNQCLSA-N 1 0 306.366 0.280 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)[C@H]([NH3+])C3CCOCC3)C2)cn1 ZINC000261784936 396065591 /nfs/dbraw/zinc/06/55/91/396065591.db2.gz NFSRXTBNMWWKIQ-UKRRQHHQSA-N 1 0 321.425 0.259 10 0 DCAERO NC(=O)CCOc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261784990 396065623 /nfs/dbraw/zinc/06/56/23/396065623.db2.gz GHVUGDOTDICITO-OAHLLOKOSA-N 1 0 321.377 0.633 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCC[C@H]3O)ccn2)CC1 ZINC000152261274 396004740 /nfs/dbraw/zinc/00/47/40/396004740.db2.gz YDIQRIUQXMVEMM-LSDHHAIUSA-N 1 0 318.421 0.867 10 0 DCAERO O=C(CN1CCC[NH2+]CC1)NCc1cnn(-c2ccccc2)c1 ZINC000261825402 396070154 /nfs/dbraw/zinc/07/01/54/396070154.db2.gz XCXMRDBGEBOLPW-UHFFFAOYSA-N 1 0 313.405 0.784 10 0 DCAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000249716063 396012400 /nfs/dbraw/zinc/01/24/00/396012400.db2.gz IMQONBUHNABHRZ-KFWWJZLASA-N 1 0 300.399 0.143 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000249759975 396012863 /nfs/dbraw/zinc/01/28/63/396012863.db2.gz KSRBXLQGFKFAMO-QWHCGFSZSA-N 1 0 317.455 0.401 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cnc2ccccc2n1 ZINC000261834744 396070768 /nfs/dbraw/zinc/07/07/68/396070768.db2.gz IGIXWFFZDBMICK-UHFFFAOYSA-N 1 0 313.361 0.134 10 0 DCAERO COCc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170844730 396098766 /nfs/dbraw/zinc/09/87/66/396098766.db2.gz WLORAQCBXRVWLL-AWEZNQCLSA-N 1 0 305.378 0.934 10 0 DCAERO COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000070303127 396101016 /nfs/dbraw/zinc/10/10/16/396101016.db2.gz UCXRWLOVOSFICA-LBPRGKRZSA-N 1 0 312.391 0.371 10 0 DCAERO COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000070303075 396101291 /nfs/dbraw/zinc/10/12/91/396101291.db2.gz BVXKZSIZBHNHEG-NSHDSACASA-N 1 0 314.407 0.631 10 0 DCAERO [NH3+]Cc1ccc(-n2cc(I)cn2)nn1 ZINC000070678814 396103583 /nfs/dbraw/zinc/10/35/83/396103583.db2.gz DLBFINIWLFIYIM-UHFFFAOYSA-N 1 0 301.091 0.726 10 0 DCAERO COCc1noc(CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262148131 396104432 /nfs/dbraw/zinc/10/44/32/396104432.db2.gz ZPNQVDGRRPUTBG-HNNXBMFYSA-N 1 0 309.414 0.333 10 0 DCAERO COCC[N@H+](C)CCNC(=O)CNC(=O)c1ccccc1C ZINC000171129037 396107701 /nfs/dbraw/zinc/10/77/01/396107701.db2.gz QXAIVIHEFJTBRM-UHFFFAOYSA-N 1 0 307.394 0.419 10 0 DCAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000171353591 396115156 /nfs/dbraw/zinc/11/51/56/396115156.db2.gz XFJHNRXAZUTOKU-HZPDHXFCSA-N 1 0 315.417 0.803 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000262269087 396116649 /nfs/dbraw/zinc/11/66/49/396116649.db2.gz KGCMJEIAYLZGLX-UKRRQHHQSA-N 1 0 317.389 0.935 10 0 DCAERO COc1ccccc1C(=O)NCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171627274 396120771 /nfs/dbraw/zinc/12/07/71/396120771.db2.gz WVVRHQDTCSJSAU-ZDUSSCGKSA-N 1 0 317.389 0.732 10 0 DCAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCC(=O)NC(N)=O)CCO2)n1 ZINC000171610517 396120941 /nfs/dbraw/zinc/12/09/41/396120941.db2.gz CXIVNPQSBLIQHS-ZDUSSCGKSA-N 1 0 323.397 0.176 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH2+]1 ZINC000262315562 396122034 /nfs/dbraw/zinc/12/20/34/396122034.db2.gz CACIVTOOHWXURL-LPEHRKFASA-N 1 0 307.316 0.654 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000262330361 396125292 /nfs/dbraw/zinc/12/52/92/396125292.db2.gz GOLZRASKQLHIJB-CHWSQXEVSA-N 1 0 320.393 0.541 10 0 DCAERO CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@H](C)C[NH3+])C2)no1 ZINC000262330336 396125349 /nfs/dbraw/zinc/12/53/49/396125349.db2.gz GOABJLAOKPDTPX-NEPJUHHUSA-N 1 0 309.414 0.821 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC000278466580 396126725 /nfs/dbraw/zinc/12/67/25/396126725.db2.gz SSPCJMHPDNIAJF-KBPBESRZSA-N 1 0 305.426 0.908 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000262349186 396128433 /nfs/dbraw/zinc/12/84/33/396128433.db2.gz UHQKKEYOAISGQT-KGLIPLIRSA-N 1 0 323.437 0.601 10 0 DCAERO CCOC(=O)Cc1csc(NC(=O)C2([NH3+])CCOCC2)n1 ZINC000261876900 396075278 /nfs/dbraw/zinc/07/52/78/396075278.db2.gz OVAUGKDGUAPFBI-UHFFFAOYSA-N 1 0 313.379 0.695 10 0 DCAERO COc1cc(CN(C)CC(=O)N2CC[NH2+]CC2)cc2c1OCO2 ZINC000261893996 396076780 /nfs/dbraw/zinc/07/67/80/396076780.db2.gz OCBWJCJDXSXKRC-UHFFFAOYSA-N 1 0 321.377 0.288 10 0 DCAERO [NH3+][C@H](C(=O)NCc1cccc(-n2cncn2)c1)C1CCOCC1 ZINC000261915925 396078556 /nfs/dbraw/zinc/07/85/56/396078556.db2.gz YCUBSMJKTNYHJZ-HNNXBMFYSA-N 1 0 315.377 0.637 10 0 DCAERO COc1cc(NC(=O)[C@H]([NH3+])C2CCOCC2)ccc1NC(N)=O ZINC000261922613 396079415 /nfs/dbraw/zinc/07/94/15/396079415.db2.gz YVGJZMRCFYERTA-CYBMUJFWSA-N 1 0 322.365 0.878 10 0 DCAERO CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261928230 396080548 /nfs/dbraw/zinc/08/05/48/396080548.db2.gz ZNURBBGLJAIWAC-DZGCQCFKSA-N 1 0 311.426 0.648 10 0 DCAERO C[C@H]([NH3+])CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000261936633 396080838 /nfs/dbraw/zinc/08/08/38/396080838.db2.gz ZPVNPVWFANTIEF-ZDUSSCGKSA-N 1 0 310.442 0.126 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000175375816 396140630 /nfs/dbraw/zinc/14/06/30/396140630.db2.gz USNIFFOQZICVOA-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO COC(=O)N1CC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000178745006 396207021 /nfs/dbraw/zinc/20/70/21/396207021.db2.gz WVNAELVZRVTAFZ-CQSZACIVSA-N 1 0 305.378 0.726 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2OCC(N)=O)n1 ZINC000263304797 396212894 /nfs/dbraw/zinc/21/28/94/396212894.db2.gz XQHUTAJTFRLOAM-LLVKDONJSA-N 1 0 317.349 0.177 10 0 DCAERO CCOc1c(OC)cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263243110 396208319 /nfs/dbraw/zinc/20/83/19/396208319.db2.gz OXJIGUJFZHYUDN-CHWSQXEVSA-N 1 0 310.394 0.772 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(-n3cccn3)n2)n1 ZINC000263240592 396208499 /nfs/dbraw/zinc/20/84/99/396208499.db2.gz OMUFNALNZKYFPD-LBPRGKRZSA-N 1 0 311.349 0.893 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000263241316 396208689 /nfs/dbraw/zinc/20/86/89/396208689.db2.gz LGAYWKZZJNRPAW-GFCCVEGCSA-N 1 0 303.366 0.409 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000175979239 396148013 /nfs/dbraw/zinc/14/80/13/396148013.db2.gz HGASXOZQCAESGN-CYBMUJFWSA-N 1 0 305.378 0.717 10 0 DCAERO Cc1nccn1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262507652 396148557 /nfs/dbraw/zinc/14/85/57/396148557.db2.gz MQGPASMDRBMECS-XJKCOSOUSA-N 1 0 306.410 0.840 10 0 DCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176222592 396151297 /nfs/dbraw/zinc/15/12/97/396151297.db2.gz QYKLMFQQAAJJFT-HUUCEWRRSA-N 1 0 316.405 0.395 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cn(-c2ccccc2)nn1 ZINC000262560439 396155146 /nfs/dbraw/zinc/15/51/46/396155146.db2.gz QNMLTGBTYKVXIK-CHWSQXEVSA-N 1 0 315.377 0.823 10 0 DCAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n(C)n1 ZINC000176436727 396155743 /nfs/dbraw/zinc/15/57/43/396155743.db2.gz LORNYXTYEXRTIK-CYBMUJFWSA-N 1 0 308.426 0.893 10 0 DCAERO 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CCC[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+](C)C ZINC000178647886 396202743 /nfs/dbraw/zinc/20/27/43/396202743.db2.gz NMBYWIJNEHDUQK-ZDUSSCGKSA-N 1 0 319.409 0.687 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000263148007 396203394 /nfs/dbraw/zinc/20/33/94/396203394.db2.gz CWUIXGPWFFVIOH-ZJUUUORDSA-N 1 0 316.304 0.687 10 0 DCAERO COCCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181526732 396239445 /nfs/dbraw/zinc/23/94/45/396239445.db2.gz OVZCUPZSJPVUQE-ZDUSSCGKSA-N 1 0 301.431 0.757 10 0 DCAERO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000263326924 396214463 /nfs/dbraw/zinc/21/44/63/396214463.db2.gz SYNDUKBDCRAFDC-UHFFFAOYSA-N 1 0 306.385 0.283 10 0 DCAERO C/C=C/C[C@@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187051496 396362532 /nfs/dbraw/zinc/36/25/32/396362532.db2.gz BQGMTEBTCSCHFQ-BWPKMQGJSA-N 1 0 318.421 0.890 10 0 DCAERO Cc1cc(N2CC[C@H]([N@H+](C)CC3(O)CCOCC3)C2=O)n(C)n1 ZINC000187112880 396363881 /nfs/dbraw/zinc/36/38/81/396363881.db2.gz KIZBUIIFSHZLPS-ZDUSSCGKSA-N 1 0 322.409 0.307 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186537012 396352191 /nfs/dbraw/zinc/35/21/91/396352191.db2.gz CSWWSADSMDQJHZ-LLVKDONJSA-N 1 0 303.428 0.011 10 0 DCAERO COc1ccccc1CN(C)C(=O)CN1CCCNC(=O)[C@H]1C ZINC000189342301 396393988 /nfs/dbraw/zinc/39/39/88/396393988.db2.gz IWDIIJDYMLSLRS-CYBMUJFWSA-N 1 0 319.405 0.864 10 0 DCAERO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000190603417 396408808 /nfs/dbraw/zinc/40/88/08/396408808.db2.gz ZKYCAVKPQJDODR-OAHLLOKOSA-N 1 0 318.483 0.998 10 0 DCAERO COCC[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191451049 396419541 /nfs/dbraw/zinc/41/95/41/396419541.db2.gz XGZCLGUOLXJQTB-GFCCVEGCSA-N 1 0 312.414 0.017 10 0 DCAERO CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000192029883 396428680 /nfs/dbraw/zinc/42/86/80/396428680.db2.gz ORUSGYFYPDXNEK-WDEREUQCSA-N 1 0 306.428 0.730 10 0 DCAERO Cc1cnn(Cc2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)no2)c1 ZINC000192464527 396431391 /nfs/dbraw/zinc/43/13/91/396431391.db2.gz LXQCMEXCDGMIRZ-BETUJISGSA-N 1 0 315.377 0.861 10 0 DCAERO Cc1cc(=O)[nH]c([C@H](C)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000192594486 396433314 /nfs/dbraw/zinc/43/33/14/396433314.db2.gz XLLIXMNOSXNHQO-UWVGGRQHSA-N 1 0 300.384 0.175 10 0 DCAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@H](C)O ZINC000192688117 396435893 /nfs/dbraw/zinc/43/58/93/396435893.db2.gz OJPYJWLOHYXONX-SNVBAGLBSA-N 1 0 318.443 0.111 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000192826442 396439003 /nfs/dbraw/zinc/43/90/03/396439003.db2.gz ULHFTZFPGBZFKW-QWHCGFSZSA-N 1 0 319.409 0.962 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCN1CCOCC1 ZINC000192895604 396439469 /nfs/dbraw/zinc/43/94/69/396439469.db2.gz XNTZSHDACFAAQW-AWEZNQCLSA-N 1 0 300.447 0.738 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193403238 396450080 /nfs/dbraw/zinc/45/00/80/396450080.db2.gz DAVCHGGLAHAGBT-MFKMUULPSA-N 1 0 312.391 0.750 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)oc1C ZINC000193397293 396450162 /nfs/dbraw/zinc/45/01/62/396450162.db2.gz GDCZFURRTXIODJ-KCJUWKMLSA-N 1 0 316.379 0.651 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000193396479 396450322 /nfs/dbraw/zinc/45/03/22/396450322.db2.gz SHNQBPMBBUUVBN-MNOVXSKESA-N 1 0 312.391 0.734 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193404046 396450911 /nfs/dbraw/zinc/45/09/11/396450911.db2.gz UOAYEEHSEKNKAU-WCBMZHEXSA-N 1 0 302.352 0.343 10 0 DCAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371833966 396478184 /nfs/dbraw/zinc/47/81/84/396478184.db2.gz FZARCURXVNFFHH-ZDUSSCGKSA-N 1 0 322.384 0.753 10 0 DCAERO COc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCOCC1=O ZINC000562297542 396656561 /nfs/dbraw/zinc/65/65/61/396656561.db2.gz PZJLKRSKSJMIBJ-UHFFFAOYSA-N 1 0 321.377 0.554 10 0 DCAERO CC[C@H](CO)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000293894978 396639523 /nfs/dbraw/zinc/63/95/23/396639523.db2.gz NDODOSFFHOWYRR-VXGBXAGGSA-N 1 0 306.362 0.346 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CN(c3ccc4nnc(C5CC5)n4n3)C[C@H]21 ZINC000301629899 396716955 /nfs/dbraw/zinc/71/69/55/396716955.db2.gz CEJNUIFBVJFFMP-VXGBXAGGSA-N 1 0 300.366 0.521 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000591178555 396883376 /nfs/dbraw/zinc/88/33/76/396883376.db2.gz DDFKSAZPCKXHCJ-CYBMUJFWSA-N 1 0 317.455 0.403 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@](C)(C[NH3+])C1 ZINC000630360880 396993873 /nfs/dbraw/zinc/99/38/73/396993873.db2.gz HOFUADHFCRYZRX-ONGXEEELSA-N 1 0 305.425 0.578 10 0 DCAERO C[NH2+]CCOCCNc1cnn(C)c(=O)c1Br ZINC000630530817 397039505 /nfs/dbraw/zinc/03/95/05/397039505.db2.gz QFPXQDCQQXPVOM-UHFFFAOYSA-N 1 0 305.176 0.191 10 0 DCAERO CC(=O)CSCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000597696705 397067589 /nfs/dbraw/zinc/06/75/89/397067589.db2.gz XJPXZKXHRJOLFD-CHWSQXEVSA-N 1 0 300.424 0.630 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000630944560 397143224 /nfs/dbraw/zinc/14/32/24/397143224.db2.gz BRNRFMWFJDQRAR-ILXRZTDVSA-N 1 0 309.410 0.055 10 0 DCAERO CN(Cc1nnnn1C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000572946577 397114648 /nfs/dbraw/zinc/11/46/48/397114648.db2.gz RWENKPIHBLMNFK-NSHDSACASA-N 1 0 309.418 0.472 10 0 DCAERO Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)nc(-c2ccncc2)n1 ZINC000601755016 397237369 /nfs/dbraw/zinc/23/73/69/397237369.db2.gz OCGVDLPSGKFERP-LBPRGKRZSA-N 1 0 319.390 0.714 10 0 DCAERO Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)nc(-c2ccncc2)n1 ZINC000601755013 397237623 /nfs/dbraw/zinc/23/76/23/397237623.db2.gz OCGVDLPSGKFERP-GFCCVEGCSA-N 1 0 319.390 0.714 10 0 DCAERO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000380256061 397269789 /nfs/dbraw/zinc/26/97/89/397269789.db2.gz PNMMEFRFVOHOLU-GIGQVBGESA-N 1 0 316.448 0.896 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1C1CCCC1 ZINC000381107105 397270755 /nfs/dbraw/zinc/27/07/55/397270755.db2.gz DGAPJHQQJMKZAY-UONOGXRCSA-N 1 0 302.440 0.959 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cc(F)ccc1F ZINC000380859698 397270814 /nfs/dbraw/zinc/27/08/14/397270814.db2.gz VNXMCCDTGUCUBC-NSHDSACASA-N 1 0 306.334 0.373 10 0 DCAERO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc21 ZINC000381433523 397272465 /nfs/dbraw/zinc/27/24/65/397272465.db2.gz CZKDZMVTRBKEQU-VHSXEESVSA-N 1 0 311.407 0.610 10 0 DCAERO COCC[N@@H+]1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000399507137 397314872 /nfs/dbraw/zinc/31/48/72/397314872.db2.gz LQUBRYNALFIBGJ-SNVBAGLBSA-N 1 0 300.790 0.956 10 0 DCAERO C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC(=O)N1C ZINC000407955206 397335491 /nfs/dbraw/zinc/33/54/91/397335491.db2.gz QQCTVLCTPYXXOH-CYBMUJFWSA-N 1 0 310.442 0.981 10 0 DCAERO CC(=O)NC(C)(C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000593272495 397346316 /nfs/dbraw/zinc/34/63/16/397346316.db2.gz NCYNBPVEZLDBPW-OAHLLOKOSA-N 1 0 324.469 0.530 10 0 DCAERO COC1CCN(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000408285808 397351924 /nfs/dbraw/zinc/35/19/24/397351924.db2.gz HTFFCSHGVBWHIX-ZDUSSCGKSA-N 1 0 313.442 0.994 10 0 DCAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)C(=O)N1CC(CO)C1 ZINC000577769984 397360758 /nfs/dbraw/zinc/36/07/58/397360758.db2.gz CCSDTDKKIKFABO-UHFFFAOYSA-N 1 0 323.437 0.350 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404140050 397327218 /nfs/dbraw/zinc/32/72/18/397327218.db2.gz YRHMBNZZZVMCHR-CABCVRRESA-N 1 0 315.373 0.345 10 0 DCAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370532981 397498401 /nfs/dbraw/zinc/49/84/01/397498401.db2.gz HMBGUYBMWHMTFO-ZWUHOBOKSA-N 1 0 311.426 0.192 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000371342432 397574317 /nfs/dbraw/zinc/57/43/17/397574317.db2.gz AIVVIQVMIGESOH-UONOGXRCSA-N 1 0 323.437 0.567 10 0 DCAERO CN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371028561 397534344 /nfs/dbraw/zinc/53/43/44/397534344.db2.gz QJQWOPSQTFTAIM-OAHLLOKOSA-N 1 0 310.442 0.444 10 0 DCAERO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000603509463 397614525 /nfs/dbraw/zinc/61/45/25/397614525.db2.gz FYYWNNSXHUIIAC-CABCVRRESA-N 1 0 324.425 0.084 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000603509466 397614769 /nfs/dbraw/zinc/61/47/69/397614769.db2.gz FYYWNNSXHUIIAC-LSDHHAIUSA-N 1 0 324.425 0.084 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000262870131 297108457 /nfs/dbraw/zinc/10/84/57/297108457.db2.gz UYVWFJFBCRNLFR-CHWSQXEVSA-N 1 0 317.455 0.306 10 0 DCAERO COc1cc(OC)cc([C@H](O)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261889342 286241778 /nfs/dbraw/zinc/24/17/78/286241778.db2.gz QHUWYVNKTIOKEH-CQSZACIVSA-N 1 0 324.377 0.361 10 0 DCAERO Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)cc1 ZINC000263331009 292252003 /nfs/dbraw/zinc/25/20/03/292252003.db2.gz UWZNQMNXVIPLGQ-INIZCTEOSA-N 1 0 303.406 0.704 10 0 DCAERO CS(=O)(=O)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194107017 286597668 /nfs/dbraw/zinc/59/76/68/286597668.db2.gz JPKCAGSIVVXLME-JHJVBQTASA-N 1 0 303.424 0.595 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000408113534 286604654 /nfs/dbraw/zinc/60/46/54/286604654.db2.gz SWMSZGJEQCXHFM-MCIONIFRSA-N 1 0 314.451 0.958 10 0 DCAERO COCCCS(=O)(=O)NCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688475 292371403 /nfs/dbraw/zinc/37/14/03/292371403.db2.gz IGZHCFBXPCSIMP-KGLIPLIRSA-N 1 0 321.487 0.357 10 0 DCAERO C[C@@H](NC(=O)CN1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051907845 158014562 /nfs/dbraw/zinc/01/45/62/158014562.db2.gz KEZLRXNRBLYNPX-CQSZACIVSA-N 1 0 324.469 0.387 10 0 DCAERO CCOCCOCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000056971306 158024032 /nfs/dbraw/zinc/02/40/32/158024032.db2.gz IVFGDNJLCQQLGC-KBPBESRZSA-N 1 0 302.415 0.655 10 0 DCAERO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCNC(=O)CC1 ZINC000073363111 158055568 /nfs/dbraw/zinc/05/55/68/158055568.db2.gz WLZGJBHGQOOXPD-UHFFFAOYSA-N 1 0 309.410 0.370 10 0 DCAERO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)n(C)n1 ZINC000077726272 158068893 /nfs/dbraw/zinc/06/88/93/158068893.db2.gz WFHYZCKYVFYTOR-LBPRGKRZSA-N 1 0 309.414 0.760 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCc3ccnn3C)CC2)CCO1 ZINC000079617525 158079079 /nfs/dbraw/zinc/07/90/79/158079079.db2.gz LCUNRRJXNHKISJ-CYBMUJFWSA-N 1 0 321.425 0.815 10 0 DCAERO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000093990971 158122697 /nfs/dbraw/zinc/12/26/97/158122697.db2.gz USMNBIXCNJMRCC-ZIAGYGMSSA-N 1 0 310.442 0.979 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccon1 ZINC000097598684 158125651 /nfs/dbraw/zinc/12/56/51/158125651.db2.gz WEVPCBUUVILTBX-LBPRGKRZSA-N 1 0 303.384 0.205 10 0 DCAERO Cn1cc(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000107281806 158134915 /nfs/dbraw/zinc/13/49/15/158134915.db2.gz FFUDQEKOWXHPNA-INIZCTEOSA-N 1 0 319.453 0.591 10 0 DCAERO CC(=O)N[C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284396 158135491 /nfs/dbraw/zinc/13/54/91/158135491.db2.gz SOECTOUWYOKOPQ-HIFRSBDPSA-N 1 0 310.442 0.140 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000116784223 158166873 /nfs/dbraw/zinc/16/68/73/158166873.db2.gz JPEQHLPUNVZRPV-DZGCQCFKSA-N 1 0 323.437 0.567 10 0 DCAERO Cc1ccccc1C(=O)NCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116978214 158168831 /nfs/dbraw/zinc/16/88/31/158168831.db2.gz DPTDBMBCZKDENJ-CQSZACIVSA-N 1 0 319.405 0.514 10 0 DCAERO CO[C@]1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123300865 158229396 /nfs/dbraw/zinc/22/93/96/158229396.db2.gz TVFYHJHUVUBTDZ-FZMZJTMJSA-N 1 0 314.407 0.790 10 0 DCAERO CCOC(=O)CCCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123573567 158232170 /nfs/dbraw/zinc/23/21/70/158232170.db2.gz WKUWLKINCHZSPP-ZIAGYGMSSA-N 1 0 313.442 0.860 10 0 DCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123847267 158234244 /nfs/dbraw/zinc/23/42/44/158234244.db2.gz KCEJDGAVJFMRFN-CYBMUJFWSA-N 1 0 321.425 0.910 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCC[NH2+]C1 ZINC000124152643 158238449 /nfs/dbraw/zinc/23/84/49/158238449.db2.gz UYRZWKHHPCYTAB-NSHDSACASA-N 1 0 316.810 0.982 10 0 DCAERO O=C(NCCCC[NH+]1CCCC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000124126516 158238466 /nfs/dbraw/zinc/23/84/66/158238466.db2.gz ACVRBLVQLDJBGR-CYBMUJFWSA-N 1 0 309.414 0.281 10 0 DCAERO CC[NH2+]Cc1ccccc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000124515139 158243670 /nfs/dbraw/zinc/24/36/70/158243670.db2.gz MOKMJLPBSDHCSF-UHFFFAOYSA-N 1 0 316.361 0.295 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCN1CCOCC1 ZINC000124842747 158247832 /nfs/dbraw/zinc/24/78/32/158247832.db2.gz VVTYNJMWXADJEN-AWEZNQCLSA-N 1 0 300.447 0.594 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000126128800 158262661 /nfs/dbraw/zinc/26/26/61/158262661.db2.gz JMRYNVFXUYVQPY-NSHDSACASA-N 1 0 301.350 0.885 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000134467291 158326924 /nfs/dbraw/zinc/32/69/24/158326924.db2.gz LQJZLXGYXLLPQM-LBPRGKRZSA-N 1 0 311.407 0.340 10 0 DCAERO CCOC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724129 158340093 /nfs/dbraw/zinc/34/00/93/158340093.db2.gz APRZZAWRLHUOJF-GFCCVEGCSA-N 1 0 304.412 0.440 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C(C)=O)CC1 ZINC000136078982 158340997 /nfs/dbraw/zinc/34/09/97/158340997.db2.gz CQJCSHMTTOQNHF-JKSUJKDBSA-N 1 0 322.453 0.236 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1 ZINC000165635993 158364262 /nfs/dbraw/zinc/36/42/62/158364262.db2.gz SRTQKQKQIHORTJ-SSDOTTSWSA-N 1 0 310.297 0.452 10 0 DCAERO Cn1ccnc1COc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000165577202 158364896 /nfs/dbraw/zinc/36/48/96/158364896.db2.gz ILWOJSDQGPJQGI-JSGCOSHPSA-N 1 0 316.361 0.660 10 0 DCAERO Cn1cc(Br)cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165572173 158364990 /nfs/dbraw/zinc/36/49/90/158364990.db2.gz SVSBXPKORCLTBG-SECBINFHSA-N 1 0 302.172 0.587 10 0 DCAERO C[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)CNC(=O)C3)cc2)CC1 ZINC000170247488 158374621 /nfs/dbraw/zinc/37/46/21/158374621.db2.gz NDHXTGMKJBXRHT-KRWDZBQOSA-N 1 0 316.405 0.903 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170742298 158376029 /nfs/dbraw/zinc/37/60/29/158376029.db2.gz XSOVGVGPTRUMMO-ZFWWWQNUSA-N 1 0 322.453 0.282 10 0 DCAERO CC(=O)N1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171907518 158388879 /nfs/dbraw/zinc/38/88/79/158388879.db2.gz LCEFTPMLOSXFPM-HNNXBMFYSA-N 1 0 308.426 0.735 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056593 158390248 /nfs/dbraw/zinc/39/02/48/158390248.db2.gz UGKBMHLCTGQRIN-GJZGRUSLSA-N 1 0 319.453 0.762 10 0 DCAERO Cc1cc(N2CC[C@H](N3CCC([NH+](C)C)CC3)C2=O)n(C)n1 ZINC000173522540 158407913 /nfs/dbraw/zinc/40/79/13/158407913.db2.gz YVNDCKQTWWEJIE-AWEZNQCLSA-N 1 0 305.426 0.860 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2nc3ccc(F)cc3n2C)C1 ZINC000187953679 158541898 /nfs/dbraw/zinc/54/18/98/158541898.db2.gz SKFHBQQNMSDTAQ-WCQYABFASA-N 1 0 320.368 0.748 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)CCO1 ZINC000190938911 158564274 /nfs/dbraw/zinc/56/42/74/158564274.db2.gz YPUUAUDQWBFVJZ-CYBMUJFWSA-N 1 0 305.378 0.117 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000249252836 158704646 /nfs/dbraw/zinc/70/46/46/158704646.db2.gz YBIRJZRNFHEARP-RYUDHWBXSA-N 1 0 318.377 0.019 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC000261818851 158742268 /nfs/dbraw/zinc/74/22/68/158742268.db2.gz UEQQHFHWJRTUFF-SECBINFHSA-N 1 0 316.379 0.368 10 0 DCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261918048 158753245 /nfs/dbraw/zinc/75/32/45/158753245.db2.gz XGFIQAALGLKQBX-WFASDCNBSA-N 1 0 301.390 0.815 10 0 DCAERO O=C(Cc1ccc(-n2cccn2)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262054254 158768389 /nfs/dbraw/zinc/76/83/89/158768389.db2.gz AIZNCTBGZUXWTA-DZGCQCFKSA-N 1 0 300.362 0.111 10 0 DCAERO Cc1csc(N2CCC(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CC2)n1 ZINC000262082387 158771751 /nfs/dbraw/zinc/77/17/51/158771751.db2.gz CMYSMXIDEQRYBY-STQMWFEESA-N 1 0 324.450 0.364 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000262148457 158779052 /nfs/dbraw/zinc/77/90/52/158779052.db2.gz HPGRLQVFIKNGSC-JXSMBQFASA-N 1 0 300.402 0.977 10 0 DCAERO COc1cc(C2(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CC2)ccc1C ZINC000262204363 158784552 /nfs/dbraw/zinc/78/45/52/158784552.db2.gz ILUOCGBYSOTYAW-OCCSQVGLSA-N 1 0 304.390 0.732 10 0 DCAERO CCc1nc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)nn1-c1ccccc1 ZINC000262206098 158784599 /nfs/dbraw/zinc/78/45/99/158784599.db2.gz INZPCMRYTYRQSJ-DGCLKSJQSA-N 1 0 315.377 0.140 10 0 DCAERO CO[C@@H](C)CS(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262209038 158785276 /nfs/dbraw/zinc/78/52/76/158785276.db2.gz DUTVDQKJOWRNNL-ZDUSSCGKSA-N 1 0 300.424 0.855 10 0 DCAERO O=C(COc1ccccc1C(F)(F)F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262351468 158802411 /nfs/dbraw/zinc/80/24/11/158802411.db2.gz ULMMBHUTTDUEID-MWLCHTKSSA-N 1 0 318.295 0.781 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262382372 158807476 /nfs/dbraw/zinc/80/74/76/158807476.db2.gz XEMXEGOBVKFCAF-DZGCQCFKSA-N 1 0 308.426 0.395 10 0 DCAERO O=S1(=O)CCCN1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328677131 159020672 /nfs/dbraw/zinc/02/06/72/159020672.db2.gz RZOHGZRLLIRFQZ-KBPBESRZSA-N 1 0 302.440 0.649 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)[N@H+](C)C1 ZINC000328897695 159038597 /nfs/dbraw/zinc/03/85/97/159038597.db2.gz CVPHLYKKLPOUET-MELADBBJSA-N 1 0 308.382 0.039 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985048 159049630 /nfs/dbraw/zinc/04/96/30/159049630.db2.gz SZSAJUFCLWWHBW-FRRDWIJNSA-N 1 0 321.425 0.213 10 0 DCAERO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329161443 159068793 /nfs/dbraw/zinc/06/87/93/159068793.db2.gz YYRKDPNHOSZTAH-LLVKDONJSA-N 1 0 314.345 0.961 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167785 159069760 /nfs/dbraw/zinc/06/97/60/159069760.db2.gz ILPCHMWZONKTLV-MNOVXSKESA-N 1 0 324.381 0.089 10 0 DCAERO Cn1cc(C(=O)N2CC[NH+]3CCC2CC3)c([C@@H]2CCOC2)n1 ZINC000329318841 159082296 /nfs/dbraw/zinc/08/22/96/159082296.db2.gz IIKJYLCAOFXAPZ-GFCCVEGCSA-N 1 0 304.394 0.844 10 0 DCAERO Cc1nccn1-c1cncc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000329410207 159089512 /nfs/dbraw/zinc/08/95/12/159089512.db2.gz DPOWCBDOSXFFMY-ZDUSSCGKSA-N 1 0 300.366 0.492 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000329409117 159089805 /nfs/dbraw/zinc/08/98/05/159089805.db2.gz BEFJKXCWDJPRJK-DGCLKSJQSA-N 1 0 303.428 0.026 10 0 DCAERO O=C([C@@H]1CCN1Cc1ccccc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330005383 159135579 /nfs/dbraw/zinc/13/55/79/159135579.db2.gz BWJQAZAIZHGPFX-CABCVRRESA-N 1 0 314.389 0.701 10 0 DCAERO O=C(c1cn([C@@H]2CCOC2)nn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000330056175 159139054 /nfs/dbraw/zinc/13/90/54/159139054.db2.gz VLPIKZICVJCSEE-ZIAGYGMSSA-N 1 0 319.409 0.940 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H](C3CC3)C2)CC1=O ZINC000330172692 159148231 /nfs/dbraw/zinc/14/82/31/159148231.db2.gz GQSAOSAKOQYQDN-ZIAGYGMSSA-N 1 0 309.410 0.034 10 0 DCAERO C[C@@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)C[NH+]1CCN(C)CC1 ZINC000332706891 159210735 /nfs/dbraw/zinc/21/07/35/159210735.db2.gz WKHZMZHUKNRESJ-GJZGRUSLSA-N 1 0 324.469 0.435 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000367832469 159359101 /nfs/dbraw/zinc/35/91/01/159359101.db2.gz NOEZDEWOVHMQLI-GRYCIOLGSA-N 1 0 303.428 0.072 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368018392 159370700 /nfs/dbraw/zinc/37/07/00/159370700.db2.gz LKSWWKVEQZCPGS-MXKYZYEVSA-N 1 0 303.362 0.780 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000407986378 160003701 /nfs/dbraw/zinc/00/37/01/160003701.db2.gz TZHXMRMHOAWYCQ-UHFFFAOYSA-N 1 0 311.430 0.572 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)C(C)C)CC2)[N@H+](C)C1 ZINC000408034071 160017564 /nfs/dbraw/zinc/01/75/64/160017564.db2.gz QNIKKDWKHMKPON-KBPBESRZSA-N 1 0 311.426 0.469 10 0 DCAERO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1nnc2n1CCCC2 ZINC000408034268 160017932 /nfs/dbraw/zinc/01/79/32/160017932.db2.gz DGNIVGAIEXRPFA-OLZOCXBDSA-N 1 0 318.425 0.182 10 0 DCAERO CN(C)C(=O)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000408036538 160018757 /nfs/dbraw/zinc/01/87/57/160018757.db2.gz TXXKWNWOBXFFMF-UONOGXRCSA-N 1 0 311.426 0.349 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C(N)=O ZINC000408048745 160022734 /nfs/dbraw/zinc/02/27/34/160022734.db2.gz PIDVOBGQBSWNSC-AAVRWANBSA-N 1 0 309.410 0.210 10 0 DCAERO Cc1n[nH]c(=O)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000408110979 160038194 /nfs/dbraw/zinc/03/81/94/160038194.db2.gz XRJIZRKWSPNJFQ-UWVGGRQHSA-N 1 0 308.382 0.326 10 0 DCAERO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408140076 160045650 /nfs/dbraw/zinc/04/56/50/160045650.db2.gz QGDIGYWBVUHHMZ-QWHCGFSZSA-N 1 0 317.455 0.257 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000408214683 160061422 /nfs/dbraw/zinc/06/14/22/160061422.db2.gz OQMOULFQNMFHNW-KBPBESRZSA-N 1 0 320.455 0.538 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)nc2n1 ZINC000408223043 160062841 /nfs/dbraw/zinc/06/28/41/160062841.db2.gz CJWZCPOEKZEXCR-DGCLKSJQSA-N 1 0 316.409 0.883 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408226356 160063785 /nfs/dbraw/zinc/06/37/85/160063785.db2.gz OVSRDUAMSGPSPI-NWDGAFQWSA-N 1 0 305.444 0.320 10 0 DCAERO CCn1nccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000408290682 160077402 /nfs/dbraw/zinc/07/74/02/160077402.db2.gz KVDWMWJPPKKLFC-NEPJUHHUSA-N 1 0 300.428 0.864 10 0 DCAERO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408308820 160082676 /nfs/dbraw/zinc/08/26/76/160082676.db2.gz WSUMVBJALDNQPO-RYUDHWBXSA-N 1 0 322.413 0.605 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000408383160 160096817 /nfs/dbraw/zinc/09/68/17/160096817.db2.gz GWNQGYAKIANHNU-SECBINFHSA-N 1 0 306.819 0.788 10 0 DCAERO 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/nfs/dbraw/zinc/11/65/67/287116567.db2.gz UCAQBFBIFCAUGN-OLZOCXBDSA-N 1 0 322.471 0.376 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc(C(N)=O)co1 ZINC000251715563 287120037 /nfs/dbraw/zinc/12/00/37/287120037.db2.gz KZRIVMZDSIFEAA-PWSUYJOCSA-N 1 0 306.366 0.757 10 0 DCAERO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC[C@H]1CCC[NH2+]C1 ZINC000262580130 287128376 /nfs/dbraw/zinc/12/83/76/287128376.db2.gz NZTQMLIGNCISER-MGPQQGTHSA-N 1 0 321.421 0.668 10 0 DCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266233871 415138481 /nfs/dbraw/zinc/13/84/81/415138481.db2.gz UCJDOKWZXLAHGV-GWCFXTLKSA-N 1 0 305.382 0.309 10 0 DCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000040634849 415198543 /nfs/dbraw/zinc/19/85/43/415198543.db2.gz GYQJOYATDCGHQE-ZIAGYGMSSA-N 1 0 309.435 0.769 10 0 DCAERO C[NH+](C)C[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 ZINC000047639375 415273759 /nfs/dbraw/zinc/27/37/59/415273759.db2.gz LGCXKXWGUHRSNP-ZDUSSCGKSA-N 1 0 313.423 0.345 10 0 DCAERO 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CCO[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C12CCOCC2 ZINC000186223433 416257151 /nfs/dbraw/zinc/25/71/51/416257151.db2.gz RFBYIGWFKPXUNC-OLZOCXBDSA-N 1 0 320.455 0.490 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186869796 416258028 /nfs/dbraw/zinc/25/80/28/416258028.db2.gz KYBRJESTZDOXTB-ZWNOBZJWSA-N 1 0 311.407 0.370 10 0 DCAERO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000358691047 416269813 /nfs/dbraw/zinc/26/98/13/416269813.db2.gz YXKHAHLGLIINQP-SNVBAGLBSA-N 1 0 310.398 0.163 10 0 DCAERO CC(C)OCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000190204596 416275803 /nfs/dbraw/zinc/27/58/03/416275803.db2.gz DAKNXQXCQQVXEP-UONOGXRCSA-N 1 0 320.455 0.536 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000182955883 416235250 /nfs/dbraw/zinc/23/52/50/416235250.db2.gz PVBBNWBBAZZNTM-GFCCVEGCSA-N 1 0 322.409 0.479 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCCCNC1=O ZINC000193223439 416314585 /nfs/dbraw/zinc/31/45/85/416314585.db2.gz 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ZINC000195297448 416325736 /nfs/dbraw/zinc/32/57/36/416325736.db2.gz OACONNJVSMGJMZ-ZETCQYMHSA-N 1 0 306.771 0.737 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)nc2n1 ZINC000195316072 416326063 /nfs/dbraw/zinc/32/60/63/416326063.db2.gz XZTMPYFFJXPHPQ-LBPRGKRZSA-N 1 0 300.366 0.661 10 0 DCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000237858870 416328798 /nfs/dbraw/zinc/32/87/98/416328798.db2.gz DWHHYEREKXRLMX-CABCVRRESA-N 1 0 322.453 0.271 10 0 DCAERO CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245672505 416331259 /nfs/dbraw/zinc/33/12/59/416331259.db2.gz SMQMOIYRSOOHRL-ZFWWWQNUSA-N 1 0 304.394 0.867 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000359927188 416366710 /nfs/dbraw/zinc/36/67/10/416366710.db2.gz UPOTZBXLENLDRS-RWMBFGLXSA-N 1 0 307.460 0.660 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490040 416392680 /nfs/dbraw/zinc/39/26/80/416392680.db2.gz ILXQPYNNAMVQHY-CHWSQXEVSA-N 1 0 322.361 0.214 10 0 DCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360700654 416404866 /nfs/dbraw/zinc/40/48/66/416404866.db2.gz MQJNQUIZUATYJF-OAHLLOKOSA-N 1 0 303.366 0.429 10 0 DCAERO Cc1noc(COCC(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)n1 ZINC000583619794 416480413 /nfs/dbraw/zinc/48/04/13/416480413.db2.gz IETFJMQUWPFXJW-IUCAKERBSA-N 1 0 322.287 0.775 10 0 DCAERO CN1CC[C@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1=O ZINC000583622215 416480868 /nfs/dbraw/zinc/48/08/68/416480868.db2.gz ZXRBZHZLUSQZDT-KKUMJFAQSA-N 1 0 321.400 0.552 10 0 DCAERO Cc1cc(NC(=O)CN2CCOCC2=O)ccc1C[NH+](C)C ZINC000458271074 416446467 /nfs/dbraw/zinc/44/64/67/416446467.db2.gz UEJSQZWCXGCDEJ-UHFFFAOYSA-N 1 0 305.378 0.854 10 0 DCAERO CS[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@H]1[NH+](C)C ZINC000535729319 416525763 /nfs/dbraw/zinc/52/57/63/416525763.db2.gz MGZVIAVEEFPEEJ-NWDGAFQWSA-N 1 0 305.407 0.847 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N(C)CC2(O)CCOCC2)CC1 ZINC000436393650 416555731 /nfs/dbraw/zinc/55/57/31/416555731.db2.gz VCGBYHSIONLEJC-UHFFFAOYSA-N 1 0 311.426 0.821 10 0 DCAERO COC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000537520270 416556316 /nfs/dbraw/zinc/55/63/16/416556316.db2.gz WKVKPHXSRXYVSL-HNNXBMFYSA-N 1 0 322.405 0.583 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)N(C)CCC[NH+](C)C ZINC000543639325 416642516 /nfs/dbraw/zinc/64/25/16/416642516.db2.gz DJIKQRKDHWPRTO-UHFFFAOYSA-N 1 0 322.475 0.251 10 0 DCAERO Cn1ccc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000440994473 416656833 /nfs/dbraw/zinc/65/68/33/416656833.db2.gz UBTMYYFMTYGCDJ-UHFFFAOYSA-N 1 0 308.430 0.245 10 0 DCAERO CN1CCC2(CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)C1=O ZINC000368393718 416663024 /nfs/dbraw/zinc/66/30/24/416663024.db2.gz PTBODOWDYDBNQS-LLVKDONJSA-N 1 0 324.343 0.871 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000545199391 416666808 /nfs/dbraw/zinc/66/68/08/416666808.db2.gz CGKCOJYZOBNXHJ-UHFFFAOYSA-N 1 0 307.394 0.461 10 0 DCAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000545383438 416673787 /nfs/dbraw/zinc/67/37/87/416673787.db2.gz MBQBILFJXWKDIY-WBVHZDCISA-N 1 0 305.422 0.990 10 0 DCAERO O=C(Cc1c[nH]c2ncccc12)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000548672938 416691108 /nfs/dbraw/zinc/69/11/08/416691108.db2.gz SIDSNTTUHDEVKH-LBPRGKRZSA-N 1 0 310.361 1.475 10 0 DCAERO OC(CN1CCC[C@H]2COC[C@H]21)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223539 416890716 /nfs/dbraw/zinc/89/07/16/416890716.db2.gz CVVPCZBIDXSMNT-XJNFMUPTSA-N 1 0 310.438 0.569 10 0 DCAERO C[C@H]1C[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)C1 ZINC000631950317 416827494 /nfs/dbraw/zinc/82/74/94/416827494.db2.gz FRNOTTZRFVSTEC-DGAVXFQQSA-N 1 0 304.456 0.967 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000369807155 416831040 /nfs/dbraw/zinc/83/10/40/416831040.db2.gz AKRUEBNPJZTNDM-OLZOCXBDSA-N 1 0 312.414 0.017 10 0 DCAERO Cc1cc(NC(=O)NCCNc2cc[nH+]cc2)c(=O)n(C)c1 ZINC000560361802 416844221 /nfs/dbraw/zinc/84/42/21/416844221.db2.gz CZOGWOWBRYHETP-UHFFFAOYSA-N 1 0 301.350 0.744 10 0 DCAERO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000445790564 416898034 /nfs/dbraw/zinc/89/80/34/416898034.db2.gz NFHCCZAIYLYLJR-VXGBXAGGSA-N 1 0 319.361 0.988 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC000448601755 417088332 /nfs/dbraw/zinc/08/83/32/417088332.db2.gz XCFGYGORWUQALJ-UHFFFAOYSA-N 1 0 308.430 0.223 10 0 DCAERO CC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405292566 417124667 /nfs/dbraw/zinc/12/46/67/417124667.db2.gz YVLATEFXXHXTGW-UONOGXRCSA-N 1 0 317.389 0.579 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC2CCC1CC2 ZINC000400142822 417108533 /nfs/dbraw/zinc/10/85/33/417108533.db2.gz JAZFMRPPRTUSGT-HOAMVYINSA-N 1 0 302.440 0.721 10 0 DCAERO CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000524773123 417117976 /nfs/dbraw/zinc/11/79/76/417117976.db2.gz HEOKQRHTOLSRDE-CYBMUJFWSA-N 1 0 318.425 0.143 10 0 DCAERO C[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)[C@H]1CO ZINC000407951324 417128483 /nfs/dbraw/zinc/12/84/83/417128483.db2.gz VVVPENBHMCOFJK-OLZOCXBDSA-N 1 0 309.410 0.944 10 0 DCAERO CC[C@@H]1C[N@H+](CCCS(=O)(=O)NC)C[C@]2(CCOC2)O1 ZINC000408348623 417156846 /nfs/dbraw/zinc/15/68/46/417156846.db2.gz IXNXXJQGGQOUSG-OLZOCXBDSA-N 1 0 306.428 0.196 10 0 DCAERO CC(=O)N1CCC(NC(=O)CN2CC3CCC2(C[NH3+])CC3)CC1 ZINC000569708267 417286533 /nfs/dbraw/zinc/28/65/33/417286533.db2.gz KYSZVAXGSHHVMK-UHFFFAOYSA-N 1 0 322.453 0.317 10 0 DCAERO COCCc1nc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)no1 ZINC000643959894 417424798 /nfs/dbraw/zinc/42/47/98/417424798.db2.gz JGURRBIZIRKHSB-XQQFMLRXSA-N 1 0 310.398 0.336 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000644064791 417462752 /nfs/dbraw/zinc/46/27/52/417462752.db2.gz SZNAGNQOTFCTEO-SDDRHHMPSA-N 1 0 303.428 0.044 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)CN2CCCCC2)CC1 ZINC000634955721 417548327 /nfs/dbraw/zinc/54/83/27/417548327.db2.gz OPEMOYFMSSENPO-KBPBESRZSA-N 1 0 304.456 0.390 10 0 DCAERO CC(C)(C)n1cnc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)n1 ZINC000455150734 417593721 /nfs/dbraw/zinc/59/37/21/417593721.db2.gz XBOUDUDVRDSYJQ-GFCCVEGCSA-N 1 0 324.429 1.001 10 0 DCAERO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000532362021 417672803 /nfs/dbraw/zinc/67/28/03/417672803.db2.gz KSXLXRJFPDLFDS-GZBFAFLISA-N 1 0 301.383 0.428 10 0 DCAERO CC(C)[C@H]1CN(C[C@@H](O)CC2(O)CCOCC2)CC[N@@H+]1C ZINC000630045184 417811794 /nfs/dbraw/zinc/81/17/94/417811794.db2.gz ZDUNWPSAMWXJOH-LSDHHAIUSA-N 1 0 300.443 0.551 10 0 DCAERO Cn1cc(Br)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000662767856 417896739 /nfs/dbraw/zinc/89/67/39/417896739.db2.gz XYLVRSKWKZJNSA-OYNCUSHFSA-N 1 0 313.199 0.992 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000631277321 417844787 /nfs/dbraw/zinc/84/47/87/417844787.db2.gz FGEHMCRVJCYEJY-HNNXBMFYSA-N 1 0 310.442 0.141 10 0 DCAERO CCC(=O)N[C@H]1CCCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000471653158 287519886 /nfs/dbraw/zinc/51/98/86/287519886.db2.gz IXRJPXCSUUNGOV-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000046034755 261106280 /nfs/dbraw/zinc/10/62/80/261106280.db2.gz QBJKOPPFBVXWED-BETUJISGSA-N 1 0 305.444 0.416 10 0 DCAERO CCC[C@H](C(=O)N1CCN([C@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501625 261112702 /nfs/dbraw/zinc/11/27/02/261112702.db2.gz ONLKUAKLRAGHCC-ZIAGYGMSSA-N 1 0 313.442 0.813 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NCc1ccccc1OC)C(C)C ZINC000183668415 261116255 /nfs/dbraw/zinc/11/62/55/261116255.db2.gz BSKXNRSQGKDDSR-HNNXBMFYSA-N 1 0 307.394 0.672 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)C(C)C ZINC000183668689 261116535 /nfs/dbraw/zinc/11/65/35/261116535.db2.gz AFFTZPQANYHWAT-HNNXBMFYSA-N 1 0 307.394 0.542 10 0 DCAERO CO[C@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1C ZINC000189356809 261132049 /nfs/dbraw/zinc/13/20/49/261132049.db2.gz XIJSCJYVHHEHDU-RYUDHWBXSA-N 1 0 300.399 0.801 10 0 DCAERO CN(C)Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)no1 ZINC000359169441 261725872 /nfs/dbraw/zinc/72/58/72/261725872.db2.gz UDCITZLQEOKKEF-UHFFFAOYSA-N 1 0 309.414 0.056 10 0 DCAERO COCCCN(C(=O)COc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000362356554 262026036 /nfs/dbraw/zinc/02/60/36/262026036.db2.gz GRCBVCLXBQSJKY-UHFFFAOYSA-N 1 0 324.425 0.758 10 0 DCAERO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000359155557 271100610 /nfs/dbraw/zinc/10/06/10/271100610.db2.gz QGJPLODMXXIIEF-OCCSQVGLSA-N 1 0 308.426 0.733 10 0 DCAERO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)N1 ZINC000363753857 271204411 /nfs/dbraw/zinc/20/44/11/271204411.db2.gz STOWSSVKQDDMLT-OAHLLOKOSA-N 1 0 315.333 0.844 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CC12COC2 ZINC000449362484 271851938 /nfs/dbraw/zinc/85/19/38/271851938.db2.gz KHHRDBGVCLPWEG-AWEZNQCLSA-N 1 0 318.373 0.797 10 0 DCAERO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C(N)=O ZINC000459475508 271997244 /nfs/dbraw/zinc/99/72/44/271997244.db2.gz FQRHTERUSDJXLM-HNNXBMFYSA-N 1 0 307.350 0.843 10 0 DCAERO O[C@@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691288 272004098 /nfs/dbraw/zinc/00/40/98/272004098.db2.gz GGNJJONEYHCJQI-IRXDYDNUSA-N 1 0 315.421 0.893 10 0 DCAERO Cn1c(C[NH2+]C[C@H](O)Cn2ccnn2)nc2ccc(Cl)cc21 ZINC000459693161 272005072 /nfs/dbraw/zinc/00/50/72/272005072.db2.gz IJRCATLJQRQXJZ-NSHDSACASA-N 1 0 320.784 0.969 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000527352960 287693068 /nfs/dbraw/zinc/69/30/68/287693068.db2.gz UVUUFTKPMGWSSE-UHFFFAOYSA-N 1 0 320.393 0.063 10 0 DCAERO CC(C)N1C(=O)C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1=O ZINC000183598492 275938781 /nfs/dbraw/zinc/93/87/81/275938781.db2.gz KLAXRUCKBYLHBD-LLVKDONJSA-N 1 0 304.350 0.413 10 0 DCAERO CC[N@H+](CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C1CC1 ZINC000125844660 276126335 /nfs/dbraw/zinc/12/63/35/276126335.db2.gz VRYMWQLALQXKHG-LLVKDONJSA-N 1 0 303.428 0.299 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC000329376852 276234688 /nfs/dbraw/zinc/23/46/88/276234688.db2.gz LQAQAXQKHKSJPF-UHOFOFEASA-N 1 0 318.421 0.836 10 0 DCAERO C[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)CCC[NH+](C)C ZINC000539418101 287891131 /nfs/dbraw/zinc/89/11/31/287891131.db2.gz QWKZQEGDTSYDDD-SNVBAGLBSA-N 1 0 312.443 0.899 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000408419859 276768992 /nfs/dbraw/zinc/76/89/92/276768992.db2.gz PEZSQIJINOIKMG-RYUDHWBXSA-N 1 0 308.386 0.085 10 0 DCAERO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C1CCCCC1 ZINC000091019002 276775937 /nfs/dbraw/zinc/77/59/37/276775937.db2.gz LNXLODXMHNLCSM-RYUDHWBXSA-N 1 0 310.398 0.211 10 0 DCAERO CC(=O)N1c2ccc(S(=O)(=O)NCCC[NH3+])cc2C[C@H]1C ZINC000237361988 277021550 /nfs/dbraw/zinc/02/15/50/277021550.db2.gz CLROGNOQKKYBGX-SNVBAGLBSA-N 1 0 311.407 0.611 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCc4ncnn4C3)[C@@H]2C1 ZINC000332842857 277141286 /nfs/dbraw/zinc/14/12/86/277141286.db2.gz ONXHQALUJBETRI-FRRDWIJNSA-N 1 0 304.398 0.329 10 0 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/nfs/dbraw/zinc/56/50/27/279565027.db2.gz GLELSKPCAJBLBI-PVXIVEMSSA-N 1 0 311.426 0.550 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189017853 280101335 /nfs/dbraw/zinc/10/13/35/280101335.db2.gz KVOPZDWUYNHIMG-SNVBAGLBSA-N 1 0 303.366 0.778 10 0 DCAERO COc1ccc(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000549877903 288207818 /nfs/dbraw/zinc/20/78/18/288207818.db2.gz NNSJIHCEGBYKIL-UHFFFAOYSA-N 1 0 321.421 0.764 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190917267 280207645 /nfs/dbraw/zinc/20/76/45/280207645.db2.gz LASGFEYLPDFHIU-SNVBAGLBSA-N 1 0 322.335 0.124 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000408243674 280376807 /nfs/dbraw/zinc/37/68/07/280376807.db2.gz JNEJONMBDYBHTR-NWANDNLSSA-N 1 0 311.426 0.301 10 0 DCAERO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000551899150 288242415 /nfs/dbraw/zinc/24/24/15/288242415.db2.gz AEUYMZVIWBWQLQ-SYQHCUMBSA-N 1 0 300.399 0.047 10 0 DCAERO 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/nfs/dbraw/zinc/09/69/71/290096971.db2.gz FKBPCBPLDKFQTA-ZQDZILKHSA-N 1 0 313.442 0.898 10 0 DCAERO CO[C@H](C)CS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000195286238 294280765 /nfs/dbraw/zinc/28/07/65/294280765.db2.gz UCAQBFBIFCAUGN-QWHCGFSZSA-N 1 0 322.471 0.376 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000261859050 294300908 /nfs/dbraw/zinc/30/09/08/294300908.db2.gz BYFJHHCXLUZUMD-LXTVHRRPSA-N 1 0 304.394 0.503 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000261793448 295272314 /nfs/dbraw/zinc/27/23/14/295272314.db2.gz QKDXDDLCSCQROW-OPRDCNLKSA-N 1 0 307.316 0.641 10 0 DCAERO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000408445105 298050194 /nfs/dbraw/zinc/05/01/94/298050194.db2.gz XOCRHPVVKCKGFH-ZIAGYGMSSA-N 1 0 313.442 0.011 10 0 DCAERO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CCOCC1 ZINC000408441334 298051246 /nfs/dbraw/zinc/05/12/46/298051246.db2.gz HJTHROUFYHGGEJ-UONOGXRCSA-N 1 0 313.442 0.011 10 0 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534372445 /nfs/dbraw/zinc/37/24/45/534372445.db2.gz VKLXFUFNANBSSW-NVXWUHKLSA-N 1 0 319.449 0.684 10 0 DCAERO CC(C)(C)[NH2+]CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000153835063 518756783 /nfs/dbraw/zinc/75/67/83/518756783.db2.gz FLVRWCPHRYHKTO-UHFFFAOYSA-N 1 0 318.377 0.194 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC000245681534 519694563 /nfs/dbraw/zinc/69/45/63/519694563.db2.gz IYJHDTGCJWHHAN-VHSXEESVSA-N 1 0 309.332 0.900 10 0 DCAERO CC(C)[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000249263824 519798973 /nfs/dbraw/zinc/79/89/73/519798973.db2.gz HRTFQSWQTWVBBG-LSDHHAIUSA-N 1 0 313.442 0.180 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249040528 520047322 /nfs/dbraw/zinc/04/73/22/520047322.db2.gz GPXDOQLMDREFPW-KBPBESRZSA-N 1 0 304.456 0.941 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000131371563 522205399 /nfs/dbraw/zinc/20/53/99/522205399.db2.gz XRJMJYLSWQUJSL-CYBMUJFWSA-N 1 0 323.393 0.315 10 0 DCAERO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000249582983 523612555 /nfs/dbraw/zinc/61/25/55/523612555.db2.gz RWCDKIAOKDOKFX-CJNGLKHVSA-N 1 0 311.426 0.195 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000157295744 524014396 /nfs/dbraw/zinc/01/43/96/524014396.db2.gz WOINQCARUNRXPI-XJKSGUPXSA-N 1 0 307.369 0.504 10 0 DCAERO COc1ccc(CNC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)cc1 ZINC000190877571 524049591 /nfs/dbraw/zinc/04/95/91/524049591.db2.gz ALHYEWCGGIFMFC-QWHCGFSZSA-N 1 0 310.394 0.375 10 0 DCAERO C[C@H]1CC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)O1 ZINC000156475015 524339613 /nfs/dbraw/zinc/33/96/13/524339613.db2.gz BZIPLNOHGIIYLL-AAEUAGOBSA-N 1 0 323.397 0.067 10 0 DCAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185141071 524713684 /nfs/dbraw/zinc/71/36/84/524713684.db2.gz WADCSTMVUMQMEJ-JHJVBQTASA-N 1 0 315.797 0.816 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]n1 ZINC000158504711 524833587 /nfs/dbraw/zinc/83/35/87/524833587.db2.gz CNBGZXZDYDCCSM-WFASDCNBSA-N 1 0 323.441 0.795 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccnc2)CC[N@@H+]1C ZINC000158469867 525415751 /nfs/dbraw/zinc/41/57/51/525415751.db2.gz DZLXBJYDSFCZSL-TZMCWYRMSA-N 1 0 304.394 0.753 10 0 DCAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249192034 525645326 /nfs/dbraw/zinc/64/53/26/525645326.db2.gz AKIXBKPZSUTCQQ-OLZOCXBDSA-N 1 0 302.440 0.281 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000237812168 525867961 /nfs/dbraw/zinc/86/79/61/525867961.db2.gz JMBWMOXCKATFFT-CYBMUJFWSA-N 1 0 300.366 0.598 10 0 DCAERO O=C(NCC[NH+]1CCCCCC1)c1cc2c(cn1)nc[nH]c2=O ZINC000188198633 526310682 /nfs/dbraw/zinc/31/06/82/526310682.db2.gz QWQUIGNCPOGOQY-UHFFFAOYSA-N 1 0 315.377 0.924 10 0 DCAERO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000245632287 526557351 /nfs/dbraw/zinc/55/73/51/526557351.db2.gz TZIRTRAVKFKEBM-JKSUJKDBSA-N 1 0 319.405 0.664 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cn1 ZINC000261878826 527322488 /nfs/dbraw/zinc/32/24/88/527322488.db2.gz FCONUHVUTGQBPW-OWCLPIDISA-N 1 0 314.389 0.573 10 0 DCAERO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000157508964 528034600 /nfs/dbraw/zinc/03/46/00/528034600.db2.gz RNXCOGGGTRTTSV-NSHDSACASA-N 1 0 313.423 0.757 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178881135 528887984 /nfs/dbraw/zinc/88/79/84/528887984.db2.gz UQUCAOBHZGCREF-LBPRGKRZSA-N 1 0 305.382 0.538 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000262517986 528963641 /nfs/dbraw/zinc/96/36/41/528963641.db2.gz CZTVUHWGPMSAET-GFCCVEGCSA-N 1 0 313.398 0.032 10 0 DCAERO CC[C@@H](C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)[NH+](C)C ZINC000328628223 529278311 /nfs/dbraw/zinc/27/83/11/529278311.db2.gz GZTVDDVGRIAQRR-RYUDHWBXSA-N 1 0 300.403 0.021 10 0 DCAERO CCCc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n2ncnc2n1 ZINC000285112466 535401042 /nfs/dbraw/zinc/40/10/42/535401042.db2.gz RAEIONHWTUXPMX-ZIAGYGMSSA-N 1 0 316.409 0.986 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000284883723 536479613 /nfs/dbraw/zinc/47/96/13/536479613.db2.gz GBRPCSSNWMTNQL-UONOGXRCSA-N 1 0 303.362 0.331 10 0 DCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(c2ccccc2F)CC1 ZINC000077566168 545679251 /nfs/dbraw/zinc/67/92/51/545679251.db2.gz DTGQRQYCRUAQOD-WBMJQRKESA-N 1 0 320.412 0.942 10 0 DCAERO CCNS(=O)(=O)c1ccccc1NC[C@@H]1CN(C)CCO1 ZINC000091673789 545718670 /nfs/dbraw/zinc/71/86/70/545718670.db2.gz ZGKXBMKXNMZILV-GFCCVEGCSA-N 1 0 313.423 0.727 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111245017 545733981 /nfs/dbraw/zinc/73/39/81/545733981.db2.gz SBKNNALCFOIHHP-JQWIXIFHSA-N 1 0 307.316 0.656 10 0 DCAERO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000175633032 545886778 /nfs/dbraw/zinc/88/67/78/545886778.db2.gz YQBMKDVLRXEEJW-UKRRQHHQSA-N 1 0 312.458 0.879 10 0 DCAERO Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000178886408 545897022 /nfs/dbraw/zinc/89/70/22/545897022.db2.gz GOCPXKXQPLVMLN-ZBFHGGJFSA-N 1 0 319.453 0.809 10 0 DCAERO O=S(=O)(CC[NH2+][C@@H]1CCCOC1)NC[C@H]1CCCCO1 ZINC000180748311 545901179 /nfs/dbraw/zinc/90/11/79/545901179.db2.gz AJYQEXKJGXYKKQ-CHWSQXEVSA-N 1 0 306.428 0.244 10 0 DCAERO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)CN2CCCC2=O)cc1 ZINC000182393944 545904917 /nfs/dbraw/zinc/90/49/17/545904917.db2.gz MUTBSSLINFIRTB-ZBFHGGJFSA-N 1 0 322.405 0.692 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1C ZINC000248385514 545968660 /nfs/dbraw/zinc/96/86/60/545968660.db2.gz IVJMCJCOMZGZGA-OLZOCXBDSA-N 1 0 307.442 0.970 10 0 DCAERO O=C(COc1cccc(C(F)(F)F)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261897583 545977888 /nfs/dbraw/zinc/97/78/88/545977888.db2.gz ACTAHFDEOYUXEH-JOYOIKCWSA-N 1 0 318.295 0.781 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000262069984 545978754 /nfs/dbraw/zinc/97/87/54/545978754.db2.gz BOFJICMCVBWYRI-JSGCOSHPSA-N 1 0 303.362 0.124 10 0 DCAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262105281 545979104 /nfs/dbraw/zinc/97/91/04/545979104.db2.gz DZJCFYRFURNVDV-MWODSPESSA-N 1 0 300.305 0.429 10 0 DCAERO O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262154263 545980025 /nfs/dbraw/zinc/98/00/25/545980025.db2.gz HYJMLPBNFIVCAJ-ZYHUDNBSSA-N 1 0 302.296 0.944 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000262150361 545980295 /nfs/dbraw/zinc/98/02/95/545980295.db2.gz HQSVHCDAVJADCS-GXSJLCMTSA-N 1 0 304.268 0.895 10 0 DCAERO CCCOc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262282680 545982560 /nfs/dbraw/zinc/98/25/60/545982560.db2.gz OBCQPTYGCBHZSM-WFASDCNBSA-N 1 0 308.378 0.551 10 0 DCAERO CCn1cc(Br)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262419655 545985157 /nfs/dbraw/zinc/98/51/57/545985157.db2.gz ZYSKUAPVZGDDCJ-KCJUWKMLSA-N 1 0 316.199 0.581 10 0 DCAERO Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000332834849 546062419 /nfs/dbraw/zinc/06/24/19/546062419.db2.gz XZWPHUYMNAZNQC-LSDHHAIUSA-N 1 0 320.441 0.512 10 0 DCAERO COCCn1cc(C[N@@H+]2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)cn1 ZINC000668577040 546789599 /nfs/dbraw/zinc/78/95/99/546789599.db2.gz PJIZUDPIVBBUFW-GXTWGEPZSA-N 1 0 306.370 0.262 10 0 DCAERO CCC[C@H](C)C(=O)NC[C@@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073664 547658986 /nfs/dbraw/zinc/65/89/86/547658986.db2.gz SIVUESGIZXBXAQ-OUCADQQQSA-N 1 0 302.440 0.706 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCn1cncn1)C2 ZINC000888094792 661162703 /nfs/dbraw/zinc/16/27/03/661162703.db2.gz JPYBYAHXYQNLRT-LUYZLQTOSA-N 1 0 321.425 0.264 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353369645 665448805 /nfs/dbraw/zinc/44/88/05/665448805.db2.gz CLTISDHUBRQOKH-KGLIPLIRSA-N 1 0 311.451 0.756 10 0 DCAERO CCS(=O)(=O)CCNC(=O)NCCN1CCCC[C@H]1C ZINC000069224153 665487241 /nfs/dbraw/zinc/48/72/41/665487241.db2.gz PFGSWEAKBLOTRV-GFCCVEGCSA-N 1 0 305.444 0.595 10 0 DCAERO OC[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000090283164 658503852 /nfs/dbraw/zinc/50/38/52/658503852.db2.gz LBJONEPCMRUHMN-RKDXNWHRSA-N 1 0 310.177 0.676 10 0 DCAERO C/C=C\Cc1nnc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)o1 ZINC000096791871 658717039 /nfs/dbraw/zinc/71/70/39/658717039.db2.gz LXPQTQFKSWBYNG-KRURLVKSSA-N 1 0 306.366 0.469 10 0 DCAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000191910563 659406403 /nfs/dbraw/zinc/40/64/03/659406403.db2.gz DTHVBFBYQXZADM-NEPJUHHUSA-N 1 0 310.398 0.909 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000329010708 659804361 /nfs/dbraw/zinc/80/43/61/659804361.db2.gz ZQTKCBKJHIUUGR-CHWSQXEVSA-N 1 0 302.382 0.581 10 0 DCAERO c1nn(-c2ccccc2)nc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261810720 661715530 /nfs/dbraw/zinc/71/55/30/661715530.db2.gz GLGUMDFQLNNINH-KRWDZBQOSA-N 1 0 312.421 0.747 10 0 DCAERO COc1cccc([C@H](O)CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261948983 661915532 /nfs/dbraw/zinc/91/55/32/661915532.db2.gz OATVBZWPKDIWMY-CQSZACIVSA-N 1 0 308.378 0.600 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000321133600 662605059 /nfs/dbraw/zinc/60/50/59/662605059.db2.gz CMHLITBIPCBQSB-LBPRGKRZSA-N 1 0 304.460 0.118 10 0 DCAERO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915528 663114220 /nfs/dbraw/zinc/11/42/20/663114220.db2.gz POXCFEXHLUVBTE-QWHCGFSZSA-N 1 0 303.362 0.930 10 0 DCAERO Cn1nccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717086547 668575729 /nfs/dbraw/zinc/57/57/29/668575729.db2.gz WFILEGYTVDLNGT-HTQZYQBOSA-N 1 0 312.317 0.320 10 0 DCAERO O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)C12CC[NH+](CC1)C2 ZINC000907665785 663710824 /nfs/dbraw/zinc/71/08/24/663710824.db2.gz HWKDEDOJVRAKHI-UONOGXRCSA-N 1 0 319.409 0.466 10 0 DCAERO NC(=O)C[C@]1(O)CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000911342891 664039564 /nfs/dbraw/zinc/03/95/64/664039564.db2.gz HPYKJXOJFSTXQT-XJKCOSOUSA-N 1 0 309.410 0.232 10 0 DCAERO COCCC1(C(=O)N2CC[C@@H](n3ccnn3)C2)CC[NH+](C)CC1 ZINC000911822439 664112903 /nfs/dbraw/zinc/11/29/03/664112903.db2.gz KJLSIDGLKPGTLV-CQSZACIVSA-N 1 0 321.425 0.800 10 0 DCAERO O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000165318060 664408312 /nfs/dbraw/zinc/40/83/12/664408312.db2.gz CYSNTFVOJDZSGS-TVQRCGJNSA-N 1 0 312.370 0.774 10 0 DCAERO O=C(c1cc2n(n1)CCO2)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223801591 664423308 /nfs/dbraw/zinc/42/33/08/664423308.db2.gz BIYPVNPRZDGSHO-JTQLQIEISA-N 1 0 304.350 0.406 10 0 DCAERO CN1C(=O)c2cccn2C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000169774690 664561114 /nfs/dbraw/zinc/56/11/14/664561114.db2.gz IBHUITSNDPTGJR-CQSZACIVSA-N 1 0 304.394 0.544 10 0 DCAERO COCCn1cnn(CN2CCO[C@@H](C[NH+](C)C)C2)c1=S ZINC000152966360 664779625 /nfs/dbraw/zinc/77/96/25/664779625.db2.gz YJXXMZRDQJBHHO-LBPRGKRZSA-N 1 0 315.443 0.280 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cn2cc(Br)cn2)CCO1 ZINC000152967462 664779813 /nfs/dbraw/zinc/77/98/13/664779813.db2.gz SSPWGCDQGDNKBY-NSHDSACASA-N 1 0 303.204 0.866 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cn2nnc3ccccc3c2=O)CCO1 ZINC000153005426 664787228 /nfs/dbraw/zinc/78/72/28/664787228.db2.gz CACYBZHFYRQJTE-LBPRGKRZSA-N 1 0 303.366 0.011 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356112536 665367098 /nfs/dbraw/zinc/36/70/98/665367098.db2.gz LQXSZFKWWRLNCK-GFCCVEGCSA-N 1 0 317.374 0.549 10 0 DCAERO CN(C)C(=O)C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000179680377 665393644 /nfs/dbraw/zinc/39/36/44/665393644.db2.gz UTNCDZKDBYMBQI-UHFFFAOYSA-N 1 0 309.332 0.855 10 0 DCAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000700757549 666759299 /nfs/dbraw/zinc/75/92/99/666759299.db2.gz ZGLFJAMVPBXKSY-OIBJUYFYSA-N 1 0 320.212 0.873 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(Cn2cncn2)no1 ZINC000702188896 666923871 /nfs/dbraw/zinc/92/38/71/666923871.db2.gz QEHHZCSEUMDCCD-ZDUSSCGKSA-N 1 0 313.365 0.841 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000702339775 666944548 /nfs/dbraw/zinc/94/45/48/666944548.db2.gz GMIZPKKYDGZVDJ-NSHDSACASA-N 1 0 300.200 0.954 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCNC(=O)C1(C)C ZINC000702360744 666945986 /nfs/dbraw/zinc/94/59/86/666945986.db2.gz YWPGFWXDUJTMEQ-AWEZNQCLSA-N 1 0 318.421 0.183 10 0 DCAERO COC(=O)N(C)CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702426487 666955762 /nfs/dbraw/zinc/95/57/62/666955762.db2.gz CFSZUWIYROONPJ-AWEZNQCLSA-N 1 0 322.409 0.260 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]CC2(C)COC2)[C@H](O)C1 ZINC000702832766 667001009 /nfs/dbraw/zinc/00/10/09/667001009.db2.gz RCIHBAXNGGUIPZ-VXGBXAGGSA-N 1 0 300.399 0.840 10 0 DCAERO OC[C@H]1CN(Cc2ccncc2Br)C[C@H]1CO ZINC000702872202 667005640 /nfs/dbraw/zinc/00/56/40/667005640.db2.gz COMBTAOPSDNOAQ-PHIMTYICSA-N 1 0 301.184 0.877 10 0 DCAERO CN1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000702842296 667010383 /nfs/dbraw/zinc/01/03/83/667010383.db2.gz MZTUGHHIIJNVLO-TZMCWYRMSA-N 1 0 313.442 0.898 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1 ZINC000862937445 667095561 /nfs/dbraw/zinc/09/55/61/667095561.db2.gz ACMCFBGOSNUNPU-KGLIPLIRSA-N 1 0 315.381 0.014 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H](O)C(F)(F)F ZINC000706003383 667395531 /nfs/dbraw/zinc/39/55/31/667395531.db2.gz NOAGXVRCXSCFBI-ZMLRMANQSA-N 1 0 320.311 0.958 10 0 DCAERO O=C1[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CCN1C1CCC1 ZINC000708943001 667443923 /nfs/dbraw/zinc/44/39/23/667443923.db2.gz QWKNHVMEZGGESB-CYBMUJFWSA-N 1 0 300.424 0.554 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@H]1C(F)(F)F ZINC000709801328 667445779 /nfs/dbraw/zinc/44/57/79/667445779.db2.gz CIAZSOOUBZPJNH-RKDXNWHRSA-N 1 0 301.334 0.396 10 0 DCAERO CCOCCS(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710139085 667445842 /nfs/dbraw/zinc/44/58/42/667445842.db2.gz OXPWXFBFIOMEIH-UHFFFAOYSA-N 1 0 305.425 0.326 10 0 DCAERO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000710135330 667445864 /nfs/dbraw/zinc/44/58/64/667445864.db2.gz QUDFKBMRTJIABF-XTZNXHDOSA-N 1 0 311.473 0.941 10 0 DCAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000710960109 667447319 /nfs/dbraw/zinc/44/73/19/667447319.db2.gz MLJLZOJZQBJWSN-GFCCVEGCSA-N 1 0 306.428 0.542 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000717359230 667640661 /nfs/dbraw/zinc/64/06/61/667640661.db2.gz JYESRJZTQIIYNC-MROQNXINSA-N 1 0 302.415 0.963 10 0 DCAERO CCn1cnnc1[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000935514722 669734589 /nfs/dbraw/zinc/73/45/89/669734589.db2.gz FRGWEEOOWLIWNN-LBPRGKRZSA-N 1 0 309.414 0.976 10 0 DCAERO O=C(CC[NH2+]CC1CC1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000717197779 669750562 /nfs/dbraw/zinc/75/05/62/669750562.db2.gz XKGNTXPNYAIOBP-OLZOCXBDSA-N 1 0 300.424 0.554 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000717227448 669767610 /nfs/dbraw/zinc/76/76/10/669767610.db2.gz LMZUEUDLIYLBPN-UHFFFAOYSA-N 1 0 302.440 0.707 10 0 DCAERO COc1ccc([C@@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000040860985 669822559 /nfs/dbraw/zinc/82/25/59/669822559.db2.gz BVVPTEARTBFGDX-SNVBAGLBSA-N 1 0 317.386 0.635 10 0 DCAERO COc1cccc([C@@H](O)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000159668868 669940389 /nfs/dbraw/zinc/94/03/89/669940389.db2.gz MWXBYPSFGGXAML-MRXNPFEDSA-N 1 0 322.405 0.957 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000075863758 670067332 /nfs/dbraw/zinc/06/73/32/670067332.db2.gz VIVAMFYHDVRSAF-UHFFFAOYSA-N 1 0 301.456 0.751 10 0 DCAERO Cn1cc(C[NH2+]C[C@H]2COCCN2C)c(Br)n1 ZINC000712474244 670149721 /nfs/dbraw/zinc/14/97/21/670149721.db2.gz AKWWFZIVADPXMM-JTQLQIEISA-N 1 0 303.204 0.603 10 0 DCAERO CCn1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)nc1C ZINC000712513356 670149728 /nfs/dbraw/zinc/14/97/28/670149728.db2.gz IWYDWYMXZCEFAT-UHFFFAOYSA-N 1 0 300.428 0.974 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713838301 670170515 /nfs/dbraw/zinc/17/05/15/670170515.db2.gz QUCBAJILQWKJDM-KBPBESRZSA-N 1 0 305.378 0.254 10 0 DCAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000714243841 670182286 /nfs/dbraw/zinc/18/22/86/670182286.db2.gz MTOHHIMOAPCSRB-NQBHXWOUSA-N 1 0 319.448 0.791 10 0 DCAERO CC(C)C[NH+]1CCC2(CC(=O)O[C@@H]2CS(N)(=O)=O)CC1 ZINC000757228921 670360526 /nfs/dbraw/zinc/36/05/26/670360526.db2.gz YOTZINFVAHJKTR-LLVKDONJSA-N 1 0 304.412 0.329 10 0 DCAERO O=c1n2ccccc2nn1CC[NH+]1CCC(C2OCCO2)CC1 ZINC000110458068 671103768 /nfs/dbraw/zinc/10/37/68/671103768.db2.gz ULRDQNQJSHJVNZ-UHFFFAOYSA-N 1 0 318.377 0.581 10 0 DCAERO COCC[N@@H+]1CCN(Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000117321796 671193324 /nfs/dbraw/zinc/19/33/24/671193324.db2.gz ZVMWWMLHSMOFBV-CYBMUJFWSA-N 1 0 305.382 0.106 10 0 DCAERO CCn1nc(C)c(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000824701504 671437460 /nfs/dbraw/zinc/43/74/60/671437460.db2.gz WPUOXHGLMJQLOM-GFCCVEGCSA-N 1 0 310.402 0.078 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000718348694 685304606 /nfs/dbraw/zinc/30/46/06/685304606.db2.gz RXOIYTFWUZEJTQ-AVGNSLFASA-N 1 0 304.481 0.733 10 0 DCAERO Cn1cc(C[NH2+]C2CC(CC(N)=O)C2)c(Br)n1 ZINC000718512466 685305157 /nfs/dbraw/zinc/30/51/57/685305157.db2.gz GGVZAIRGZQUPNB-UHFFFAOYSA-N 1 0 301.188 0.926 10 0 DCAERO C[C@H]1[C@H](NC(=O)c2c(Br)nnn2C)CC[N@@H+]1C ZINC000719386058 685309935 /nfs/dbraw/zinc/30/99/35/685309935.db2.gz RJFUABJAQPMWIP-NKWVEPMBSA-N 1 0 302.176 0.400 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720809317 685315724 /nfs/dbraw/zinc/31/57/24/685315724.db2.gz GMEUMXUYQIXLNO-UWVGGRQHSA-N 1 0 315.361 0.786 10 0 DCAERO CO[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCS(=O)(=O)C1 ZINC000721177613 685317257 /nfs/dbraw/zinc/31/72/57/685317257.db2.gz IKSFMSYJKCBBME-ZDUSSCGKSA-N 1 0 319.423 0.465 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000720927348 685317291 /nfs/dbraw/zinc/31/72/91/685317291.db2.gz VZJKHAPVQNQKTM-MCIONIFRSA-N 1 0 301.456 0.484 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)[C@H]1OC ZINC000724315119 685319869 /nfs/dbraw/zinc/31/98/69/685319869.db2.gz SMPUDGXJJLKQII-KLSIYMRESA-N 1 0 303.424 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320.393 0.366 10 0 DCAERO C[C@@H](CN1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105130241 194077534 /nfs/dbraw/zinc/07/75/34/194077534.db2.gz VPPVGCPHIJRNAG-LSDHHAIUSA-N 1 0 310.442 0.587 10 0 DCAERO CC[C@@H]1CN(CC(=O)Nc2cc(C)no2)CC[N@@H+]1CCOC ZINC000105836585 194142147 /nfs/dbraw/zinc/14/21/47/194142147.db2.gz KVJBQHPWSYJYRD-CYBMUJFWSA-N 1 0 310.398 0.964 10 0 DCAERO Cc1cc(NC(=O)CN(C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000105862041 194148856 /nfs/dbraw/zinc/14/88/56/194148856.db2.gz GSBHPYSOUBOQOD-LBPRGKRZSA-N 1 0 324.425 0.946 10 0 DCAERO Cc1cccc(OC[C@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105904642 194165927 /nfs/dbraw/zinc/16/59/27/194165927.db2.gz JCSPVTBSLQXMQP-NVXWUHKLSA-N 1 0 308.422 0.997 10 0 DCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061655415 184181492 /nfs/dbraw/zinc/18/14/92/184181492.db2.gz DWOFRLAVFUVNOE-VIFPVBQESA-N 1 0 305.425 0.460 10 0 DCAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000063018097 184267603 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ZINC000246572671 395953399 /nfs/dbraw/zinc/95/33/99/395953399.db2.gz YDANMXWFEVBMDO-AAEUAGOBSA-N 1 0 320.397 0.330 10 0 DCAERO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](C)CO ZINC000247178375 395968969 /nfs/dbraw/zinc/96/89/69/395968969.db2.gz LPAQHMFQDQSFPT-AAVRWANBSA-N 1 0 301.431 0.802 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000247311586 395971426 /nfs/dbraw/zinc/97/14/26/395971426.db2.gz OBYMJKLALPZKQY-ZJUUUORDSA-N 1 0 318.830 0.931 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247376248 395972164 /nfs/dbraw/zinc/97/21/64/395972164.db2.gz STEDORGQEXYIRA-JHJVBQTASA-N 1 0 317.455 0.244 10 0 DCAERO C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)N1CCOCC1 ZINC000247473739 395974403 /nfs/dbraw/zinc/97/44/03/395974403.db2.gz RXIXQGLBOJUZAF-ILXRZTDVSA-N 1 0 310.442 0.585 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-n1cnnn1 ZINC000247491406 395975372 /nfs/dbraw/zinc/97/53/72/395975372.db2.gz 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CC[N@H+](CC(=O)N[C@@H]1CCCn2nc(COC)nc21)C1CC1 ZINC000153788992 396026119 /nfs/dbraw/zinc/02/61/19/396026119.db2.gz XKEXPTKBPOCBPA-GFCCVEGCSA-N 1 0 307.398 0.860 10 0 DCAERO CC(C)C(=O)N1CC[C@H](c2nnc3n2CC[N@@H+](CCO)CC3)C1 ZINC000257194091 396036309 /nfs/dbraw/zinc/03/63/09/396036309.db2.gz SMSMIEIFUYHVNA-ZDUSSCGKSA-N 1 0 321.425 0.100 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000155149113 396047675 /nfs/dbraw/zinc/04/76/75/396047675.db2.gz UYMJWFPJOZDTJB-VXGBXAGGSA-N 1 0 315.373 0.834 10 0 DCAERO COc1ccccc1NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261616151 396049667 /nfs/dbraw/zinc/04/96/67/396049667.db2.gz BRWIWKWBKVJBTE-CQSZACIVSA-N 1 0 318.421 0.613 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000261649808 396052672 /nfs/dbraw/zinc/05/26/72/396052672.db2.gz HLSPXXXMIMBYRE-SECBINFHSA-N 1 0 316.379 0.353 10 0 DCAERO COc1ccc(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261670318 396054635 /nfs/dbraw/zinc/05/46/35/396054635.db2.gz 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C[C@@H](CNC(=O)NC[C@@H](CO)c1ccccc1)N1CCOCC1 ZINC000175772413 396142171 /nfs/dbraw/zinc/14/21/71/396142171.db2.gz ABFXOQAUWDASAM-HOCLYGCPSA-N 1 0 321.421 0.782 10 0 DCAERO Cn1nc(CC(=O)N2CCC[NH2+]CC2)c2ccccc2c1=O ZINC000262220516 396112287 /nfs/dbraw/zinc/11/22/87/396112287.db2.gz ZCEGYRFRFCAYMO-UHFFFAOYSA-N 1 0 300.362 0.298 10 0 DCAERO Cc1cc(C)c(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(=O)[nH]1 ZINC000262274077 396117309 /nfs/dbraw/zinc/11/73/09/396117309.db2.gz YQGNHBSIBQMKCM-ZDUSSCGKSA-N 1 0 308.382 0.120 10 0 DCAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262292449 396118884 /nfs/dbraw/zinc/11/88/84/396118884.db2.gz HSAPDBRDPYZEMN-CZUORRHYSA-N 1 0 310.442 0.269 10 0 DCAERO [NH3+]CC1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CCOCC1 ZINC000262334697 396126439 /nfs/dbraw/zinc/12/64/39/396126439.db2.gz SOJUJGHKLMHATB-CQSZACIVSA-N 1 0 323.437 0.603 10 0 DCAERO O=C(N1CCN2CCCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342207 396127062 /nfs/dbraw/zinc/12/70/62/396127062.db2.gz 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ZINC000261921153 396079217 /nfs/dbraw/zinc/07/92/17/396079217.db2.gz UZLWZZNVHPGKJJ-UHFFFAOYSA-N 1 0 304.350 0.323 10 0 DCAERO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261924996 396080419 /nfs/dbraw/zinc/08/04/19/396080419.db2.gz ZDIMAUDQIVLDRC-KGLIPLIRSA-N 1 0 311.426 0.505 10 0 DCAERO C[C@H]1CN(C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000261940933 396081847 /nfs/dbraw/zinc/08/18/47/396081847.db2.gz XKJWCEFMRDQIPN-STQMWFEESA-N 1 0 313.442 0.498 10 0 DCAERO Cc1cc(CN2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)on1 ZINC000261954296 396083624 /nfs/dbraw/zinc/08/36/24/396083624.db2.gz ORRPQFNNFWERPG-OCCSQVGLSA-N 1 0 308.382 0.004 10 0 DCAERO C[NH+]1CCN(CCNC(=O)Cc2cn3ccsc3n2)CC1 ZINC000069644779 396085577 /nfs/dbraw/zinc/08/55/77/396085577.db2.gz QJNHOAQRIALTJP-UHFFFAOYSA-N 1 0 307.423 0.302 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cn(-c2ccccc2)nn1 ZINC000262560441 396155153 /nfs/dbraw/zinc/15/51/53/396155153.db2.gz QNMLTGBTYKVXIK-QWHCGFSZSA-N 1 0 315.377 0.823 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262569101 396156548 /nfs/dbraw/zinc/15/65/48/396156548.db2.gz XEFDJJCJOIPBOA-NFFDBFGFSA-N 1 0 306.410 0.920 10 0 DCAERO COc1ccc(COCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262570111 396157087 /nfs/dbraw/zinc/15/70/87/396157087.db2.gz YWMPBBWKTVSMIC-ZFWWWQNUSA-N 1 0 308.378 0.441 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000262586728 396158997 /nfs/dbraw/zinc/15/89/97/396158997.db2.gz PIGPIBMZXOTNRM-NEPJUHHUSA-N 1 0 303.428 0.044 10 0 DCAERO CCC(CC)(C[NH3+])NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000262592027 396159012 /nfs/dbraw/zinc/15/90/12/396159012.db2.gz CMJJZYRQXFNUHE-UHFFFAOYSA-N 1 0 305.386 0.423 10 0 DCAERO C[C@H](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000262622833 396163843 /nfs/dbraw/zinc/16/38/43/396163843.db2.gz HKPQNXHDUGHBEM-FRRDWIJNSA-N 1 0 317.455 0.162 10 0 DCAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262638452 396166150 /nfs/dbraw/zinc/16/61/50/396166150.db2.gz QDNSQIPSLWLPCR-YVECIDJPSA-N 1 0 302.440 0.928 10 0 DCAERO C[C@@H](CCO)C1(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCC1 ZINC000262768609 396180201 /nfs/dbraw/zinc/18/02/01/396180201.db2.gz ICANILYSEWOKQO-NSHDSACASA-N 1 0 306.410 0.974 10 0 DCAERO COCC(=O)N[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(OC)c2)C1 ZINC000075403552 396180452 /nfs/dbraw/zinc/18/04/52/396180452.db2.gz XPQMPUDRHXUTLQ-KBPBESRZSA-N 1 0 308.378 0.393 10 0 DCAERO O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1C[NH2+]C1 ZINC000263297637 396212061 /nfs/dbraw/zinc/21/20/61/396212061.db2.gz MSOOZNOIVVDBGC-UHFFFAOYSA-N 1 0 301.346 0.398 10 0 DCAERO COc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263171386 396204334 /nfs/dbraw/zinc/20/43/34/396204334.db2.gz FUKKKDUCXKYZSB-GHMZBOCLSA-N 1 0 302.321 0.967 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(-n3cnnn3)cc2)n1 ZINC000263173504 396204571 /nfs/dbraw/zinc/20/45/71/396204571.db2.gz FZXVBHPEBQYLMW-GFCCVEGCSA-N 1 0 312.337 0.288 10 0 DCAERO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263297847 396212663 /nfs/dbraw/zinc/21/26/63/396212663.db2.gz WQGKCOKTVZRMRG-MWLCHTKSSA-N 1 0 322.331 0.340 10 0 DCAERO CCC[C@H](C(=O)NC[C@H]1COC2(CCOCC2)O1)[NH+](C)C ZINC000180816983 396234683 /nfs/dbraw/zinc/23/46/83/396234683.db2.gz CDKOBNAPRABQOR-QWHCGFSZSA-N 1 0 300.399 0.755 10 0 DCAERO C[NH+](C)CC1(NC(=O)Cn2cnc3c2ncnc3N)CCC1 ZINC000281729856 396235876 /nfs/dbraw/zinc/23/58/76/396235876.db2.gz NYPXADNDJLSHDM-UHFFFAOYSA-N 1 0 303.370 0.009 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2noc(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000181841288 396242935 /nfs/dbraw/zinc/24/29/35/396242935.db2.gz PNCSRTYALTZMFY-ZYHUDNBSSA-N 1 0 311.386 0.365 10 0 DCAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182858066 396255732 /nfs/dbraw/zinc/25/57/32/396255732.db2.gz OTUNLWSJOKUUMQ-SNVBAGLBSA-N 1 0 311.407 0.605 10 0 DCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183026215 396258850 /nfs/dbraw/zinc/25/88/50/396258850.db2.gz KRIBFYGEKYYXLJ-QWHCGFSZSA-N 1 0 314.455 0.802 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177031 396222887 /nfs/dbraw/zinc/22/28/87/396222887.db2.gz XMIDNEDQNNRSQU-VXGBXAGGSA-N 1 0 308.403 0.553 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC000179412717 396226809 /nfs/dbraw/zinc/22/68/09/396226809.db2.gz NTASFFWXXYBOBE-AWEZNQCLSA-N 1 0 313.442 0.596 10 0 DCAERO CCc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)n(C)n1 ZINC000077697379 396229433 /nfs/dbraw/zinc/22/94/33/396229433.db2.gz NFQZJEHBWSHJFL-LLVKDONJSA-N 1 0 309.414 0.768 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cnn(C)c2)CC1 ZINC000184946655 396311367 /nfs/dbraw/zinc/31/13/67/396311367.db2.gz WMUJQWLXVBUXFL-ZDUSSCGKSA-N 1 0 323.441 0.654 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCO[C@@]2(CCOC2)C1 ZINC000184390011 396293732 /nfs/dbraw/zinc/29/37/32/396293732.db2.gz FXALNJGHZZUIBJ-INIZCTEOSA-N 1 0 309.410 0.814 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000184823031 396308028 /nfs/dbraw/zinc/30/80/28/396308028.db2.gz BCVUXTFTOMKZDS-LSDHHAIUSA-N 1 0 319.405 0.945 10 0 DCAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000185470034 396327990 /nfs/dbraw/zinc/32/79/90/396327990.db2.gz MNCODQLEEGJVAP-NSHDSACASA-N 1 0 309.395 0.597 10 0 DCAERO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCC[C@H]4C3)n2C)n1 ZINC000283402370 396335162 /nfs/dbraw/zinc/33/51/62/396335162.db2.gz FKZDZFDUUPVJMT-AWEZNQCLSA-N 1 0 315.425 0.961 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000186117868 396341632 /nfs/dbraw/zinc/34/16/32/396341632.db2.gz WKCAOINNVVEFGL-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO Cn1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C)cn1 ZINC000283553957 396343339 /nfs/dbraw/zinc/34/33/39/396343339.db2.gz QCVZFDDFMRTXHL-CYBMUJFWSA-N 1 0 301.398 0.890 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000186798835 396358615 /nfs/dbraw/zinc/35/86/15/396358615.db2.gz JAFLZVMEHGSQLJ-YPMHNXCESA-N 1 0 302.440 0.848 10 0 DCAERO C[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)CC[N@@H+]1CC(C)(C)O ZINC000186938187 396360332 /nfs/dbraw/zinc/36/03/32/396360332.db2.gz OFKIUAKPEUFGJI-LBPRGKRZSA-N 1 0 322.409 0.694 10 0 DCAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3c[nH]c(=S)[nH]3)C2)CC1 ZINC000187142250 396364040 /nfs/dbraw/zinc/36/40/40/396364040.db2.gz GUTLJLKMYDBLRG-LBPRGKRZSA-N 1 0 323.466 0.941 10 0 DCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285955841 396364816 /nfs/dbraw/zinc/36/48/16/396364816.db2.gz WKZYVFGKGKDULL-XQQFMLRXSA-N 1 0 321.377 0.329 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000187371159 396368464 /nfs/dbraw/zinc/36/84/64/396368464.db2.gz DCDQTWWBJQFIHT-LBPRGKRZSA-N 1 0 324.429 0.289 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1=O ZINC000186490948 396350408 /nfs/dbraw/zinc/35/04/08/396350408.db2.gz WRNIXCHBPGXBEM-SNVBAGLBSA-N 1 0 308.382 0.060 10 0 DCAERO CCO[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCOCC2 ZINC000186497701 396351405 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ZINC000192713501 396435714 /nfs/dbraw/zinc/43/57/14/396435714.db2.gz UXYZINQUVWBIHC-AWEZNQCLSA-N 1 0 323.441 0.606 10 0 DCAERO CC1(C)[C@H](NS(=O)(=O)CC[NH+]2CCCC2)[C@H]2CCO[C@@H]21 ZINC000192711088 396435947 /nfs/dbraw/zinc/43/59/47/396435947.db2.gz BVMWHUHKXIKMIK-UPJWGTAASA-N 1 0 302.440 0.815 10 0 DCAERO C[C@H]([NH3+])CCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000193303870 396449003 /nfs/dbraw/zinc/44/90/03/396449003.db2.gz VIGOFMFNNDEHTQ-GXTWGEPZSA-N 1 0 301.456 0.438 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)o1 ZINC000193416101 396450773 /nfs/dbraw/zinc/45/07/73/396450773.db2.gz ZMEMJYIZNQSHLZ-WCBMZHEXSA-N 1 0 316.379 0.651 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000193476397 396452068 /nfs/dbraw/zinc/45/20/68/396452068.db2.gz AJSXBHMMEWQGCU-LBPRGKRZSA-N 1 0 306.366 0.118 10 0 DCAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000371833965 396478250 /nfs/dbraw/zinc/47/82/50/396478250.db2.gz FZARCURXVNFFHH-CYBMUJFWSA-N 1 0 322.384 0.753 10 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/nfs/dbraw/zinc/74/52/05/396745205.db2.gz GESXJUYMRSPVKQ-JTQLQIEISA-N 1 0 306.370 0.377 10 0 DCAERO CS[C@@H]1CCC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311846352 396761350 /nfs/dbraw/zinc/76/13/50/396761350.db2.gz VBFCTHXQLFNKKY-QJPTWQEYSA-N 1 0 308.469 0.568 10 0 DCAERO Cn1nncc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000376000472 396859719 /nfs/dbraw/zinc/85/97/19/396859719.db2.gz PGHFHRGFQDSLGW-ZDUSSCGKSA-N 1 0 306.414 0.057 10 0 DCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)COc1ccccc1Cl ZINC000629611537 396809585 /nfs/dbraw/zinc/80/95/85/396809585.db2.gz ZZRAFRANQJLKSZ-KGYLQXTDSA-N 1 0 301.770 0.819 10 0 DCAERO O[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)COc1ccc(Cl)cc1 ZINC000629609608 396809758 /nfs/dbraw/zinc/80/97/58/396809758.db2.gz BCCPRIMSKZVEAZ-XBFCOCLRSA-N 1 0 301.770 0.819 10 0 DCAERO CC(C)c1cc(N2CCC[N@H+](CCO)CC2)n2ncnc2n1 ZINC000591371800 396910515 /nfs/dbraw/zinc/91/05/15/396910515.db2.gz LEDIUSXDSZYOOU-UHFFFAOYSA-N 1 0 304.398 0.752 10 0 DCAERO 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/nfs/dbraw/zinc/28/51/54/397285154.db2.gz ASSPLARELKZUEU-FMSGJZPZSA-N 1 0 300.399 0.393 10 0 DCAERO CCS[C@@H]1CCC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388286037 397297045 /nfs/dbraw/zinc/29/70/45/397297045.db2.gz TUGMQYDJVRGHCH-QJPTWQEYSA-N 1 0 308.469 0.568 10 0 DCAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ncnc3[nH]ccc32)C1 ZINC000614070725 397376655 /nfs/dbraw/zinc/37/66/55/397376655.db2.gz KHEQALIBWVALKU-OAHLLOKOSA-N 1 0 303.366 0.438 10 0 DCAERO CC(=O)N[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000620964114 397324609 /nfs/dbraw/zinc/32/46/09/397324609.db2.gz UTQCDDGMEVOCGO-GJZGRUSLSA-N 1 0 313.442 0.716 10 0 DCAERO O=C(c1cc(Br)c[nH]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404222438 397329555 /nfs/dbraw/zinc/32/95/55/397329555.db2.gz LQZIZDLJUYVUGE-WDEREUQCSA-N 1 0 314.183 0.980 10 0 DCAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000370431596 397485057 /nfs/dbraw/zinc/48/50/57/397485057.db2.gz WRDRJYSMIUHKDB-VXGBXAGGSA-N 1 0 307.398 0.972 10 0 DCAERO 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ZINC000261992650 158761975 /nfs/dbraw/zinc/76/19/75/158761975.db2.gz SZTZBYKEZDHZFG-NGFQHRJXSA-N 1 0 306.410 0.797 10 0 DCAERO Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)[nH]n2)cc1 ZINC000262091074 158772114 /nfs/dbraw/zinc/77/21/14/158772114.db2.gz DAKGWYXSTCVWJP-WFASDCNBSA-N 1 0 300.362 0.695 10 0 DCAERO O=C(Cn1cnc2ccccc2c1=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262197807 158784148 /nfs/dbraw/zinc/78/41/48/158784148.db2.gz MSMJCKQFJOWMEN-FUNVUKJBSA-N 1 0 312.373 0.796 10 0 DCAERO C[C@@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C1C[NH2+]C1 ZINC000262214741 158786182 /nfs/dbraw/zinc/78/61/82/158786182.db2.gz OMPXIYLLXFNDAZ-GFCCVEGCSA-N 1 0 317.389 0.953 10 0 DCAERO CCc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccn1 ZINC000262351641 158802946 /nfs/dbraw/zinc/80/29/46/158802946.db2.gz UNFXCYBGDAPUFU-FZMZJTMJSA-N 1 0 315.377 0.140 10 0 DCAERO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262364746 158803826 /nfs/dbraw/zinc/80/38/26/158803826.db2.gz VLMTZDHIAIZWTI-ZYHUDNBSSA-N 1 0 318.295 0.824 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000262745065 158838131 /nfs/dbraw/zinc/83/81/31/158838131.db2.gz DJTBKYOYYFLOPC-WDEREUQCSA-N 1 0 311.407 0.417 10 0 DCAERO C[NH2+]CCN(C)C(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000263245174 158865019 /nfs/dbraw/zinc/86/50/19/158865019.db2.gz MPSFWXMIDOUXCN-UHFFFAOYSA-N 1 0 304.437 0.893 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(Cc3nnnn3C3CC3)CC2)CCO1 ZINC000328678202 159020758 /nfs/dbraw/zinc/02/07/58/159020758.db2.gz SQQKQNGHCTUCHC-GFCCVEGCSA-N 1 0 306.414 0.693 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1CCOC ZINC000329053106 159055639 /nfs/dbraw/zinc/05/56/39/159055639.db2.gz XAGMXLGQMGGANF-CHWSQXEVSA-N 1 0 321.425 0.479 10 0 DCAERO CS[C@H]1CN(C(=O)c2c(C)nn(C)c2N)C[C@H]1[NH+]1CCCC1 ZINC000329091910 159060932 /nfs/dbraw/zinc/06/09/32/159060932.db2.gz JRQUSUCBLYEFCO-NEPJUHHUSA-N 1 0 323.466 0.963 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC000329205895 159073671 /nfs/dbraw/zinc/07/36/71/159073671.db2.gz XGCIALWGHIECSY-KBPBESRZSA-N 1 0 301.350 0.274 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)nc2n1 ZINC000329442271 159093573 /nfs/dbraw/zinc/09/35/73/159093573.db2.gz KJLPHKRTWWXGCV-CYBMUJFWSA-N 1 0 314.393 0.907 10 0 DCAERO CCn1nccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000329975849 159132733 /nfs/dbraw/zinc/13/27/33/159132733.db2.gz DVKSWSSLSRVOPS-LBPRGKRZSA-N 1 0 300.428 0.913 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000332731570 159210564 /nfs/dbraw/zinc/21/05/64/159210564.db2.gz LETOHHBAGAMJNH-GJZGRUSLSA-N 1 0 324.469 0.578 10 0 DCAERO C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000332810602 159214126 /nfs/dbraw/zinc/21/41/26/159214126.db2.gz WQGFCPATLAKAPP-KBPBESRZSA-N 1 0 306.414 0.936 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000332981830 159218448 /nfs/dbraw/zinc/21/84/48/159218448.db2.gz OSVZVZRADBANIJ-OCCSQVGLSA-N 1 0 308.426 0.779 10 0 DCAERO C[C@H](O)C(=O)N1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000407996733 160005895 /nfs/dbraw/zinc/00/58/95/160005895.db2.gz TYCTYSIOAPAIKA-KGLIPLIRSA-N 1 0 311.426 0.303 10 0 DCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408015887 160011882 /nfs/dbraw/zinc/01/18/82/160011882.db2.gz DTVMPGRQJJNNHM-RYUDHWBXSA-N 1 0 303.428 0.109 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018156 160012788 /nfs/dbraw/zinc/01/27/88/160012788.db2.gz PSKSDBVOAWALAT-OLZOCXBDSA-N 1 0 317.455 0.641 10 0 DCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000408028017 160016086 /nfs/dbraw/zinc/01/60/86/160016086.db2.gz CDQVHFLWUVHZKN-HUUCEWRRSA-N 1 0 322.453 0.140 10 0 DCAERO O=C(NCc1cn2c(n1)CCCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408029816 160016696 /nfs/dbraw/zinc/01/66/96/160016696.db2.gz JJQPIIAALUNMDJ-CQSZACIVSA-N 1 0 303.410 0.226 10 0 DCAERO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3COCCN3C)CC2)c1 ZINC000408037792 160019464 /nfs/dbraw/zinc/01/94/64/160019464.db2.gz HOTLBWZLHQPCKX-AWEZNQCLSA-N 1 0 320.393 0.069 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)CC[N@@H+]1C[C@H](C)O ZINC000408045127 160021732 /nfs/dbraw/zinc/02/17/32/160021732.db2.gz YKKMTLVCCAUDDM-OUCADQQQSA-N 1 0 302.440 0.158 10 0 DCAERO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408049426 160022641 /nfs/dbraw/zinc/02/26/41/160022641.db2.gz ZMFVRTPSCDFDEO-INIZCTEOSA-N 1 0 311.426 0.303 10 0 DCAERO Cc1cnc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000408065025 160026533 /nfs/dbraw/zinc/02/65/33/160026533.db2.gz YTYVGJBXIHUIGS-AWEZNQCLSA-N 1 0 304.394 0.856 10 0 DCAERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnc2ccccn2c1=O ZINC000408071005 160028701 /nfs/dbraw/zinc/02/87/01/160028701.db2.gz OPUXIMNYNQVKSK-VXGBXAGGSA-N 1 0 300.362 0.859 10 0 DCAERO C[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408127962 160042786 /nfs/dbraw/zinc/04/27/86/160042786.db2.gz IAKBUSDIPIPGSM-SGMGOOAPSA-N 1 0 311.426 0.192 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000408129270 160043595 /nfs/dbraw/zinc/04/35/95/160043595.db2.gz ZDQIUKNLLPUTNM-OLZOCXBDSA-N 1 0 311.426 0.158 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408135062 160045294 /nfs/dbraw/zinc/04/52/94/160045294.db2.gz XBUVFPUVEUSDQW-RYUDHWBXSA-N 1 0 310.398 0.165 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408135280 160045415 /nfs/dbraw/zinc/04/54/15/160045415.db2.gz XRXQYNDQRYVVHD-LBPRGKRZSA-N 1 0 310.398 0.167 10 0 DCAERO C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[S@@]1=O ZINC000408211596 160060863 /nfs/dbraw/zinc/06/08/63/160060863.db2.gz PXXMETVHPAHURC-QKVFXAPYSA-N 1 0 313.467 0.182 10 0 DCAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000408351210 160090168 /nfs/dbraw/zinc/09/01/68/160090168.db2.gz CLHMIVQHIADKBX-UHFFFAOYSA-N 1 0 306.819 0.788 10 0 DCAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000035018803 286884895 /nfs/dbraw/zinc/88/48/95/286884895.db2.gz HQPXPGBDPMLAAW-GHMZBOCLSA-N 1 0 313.423 0.899 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000193686602 287061429 /nfs/dbraw/zinc/06/14/29/287061429.db2.gz MENBGKWVWRHJEK-LBPRGKRZSA-N 1 0 324.425 0.698 10 0 DCAERO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2cccs2)c(=O)[nH]c1=O ZINC000195340919 287062732 /nfs/dbraw/zinc/06/27/32/287062732.db2.gz KWTJBZKXDKOPDZ-QMMMGPOBSA-N 1 0 322.390 0.734 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000246491139 287084318 /nfs/dbraw/zinc/08/43/18/287084318.db2.gz XIFRZHYQYMDZMZ-MCIONIFRSA-N 1 0 319.471 0.662 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246505764 287084598 /nfs/dbraw/zinc/08/45/98/287084598.db2.gz YAAVBTZBPNMPCV-MELADBBJSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H](C)CO1 ZINC000246695732 287086806 /nfs/dbraw/zinc/08/68/06/287086806.db2.gz ZBRQYFAOGSCQQY-YNEHKIRRSA-N 1 0 305.444 0.224 10 0 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/nfs/dbraw/zinc/11/15/14/287111514.db2.gz UDMNSTGSTORXKY-YNEHKIRRSA-N 1 0 305.444 0.414 10 0 DCAERO Cc1nccc(N2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000333819046 287147043 /nfs/dbraw/zinc/14/70/43/287147043.db2.gz KONLVLLAIZQJGG-CQSZACIVSA-N 1 0 318.425 0.759 10 0 DCAERO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000375887501 287228506 /nfs/dbraw/zinc/22/85/06/287228506.db2.gz JFDHZJCAHCCYRL-MELADBBJSA-N 1 0 310.394 0.366 10 0 DCAERO CNC(=O)C1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000608328208 412311829 /nfs/dbraw/zinc/31/18/29/412311829.db2.gz QVBHSGVFYCVECA-UHFFFAOYSA-N 1 0 322.413 0.435 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1Cn1c(=O)[nH]c2ccccc2c1=O ZINC000069587002 415400514 /nfs/dbraw/zinc/40/05/14/415400514.db2.gz QKKPULHWWCFBFR-LBPRGKRZSA-N 1 0 303.362 0.801 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096947 415482653 /nfs/dbraw/zinc/48/26/53/415482653.db2.gz BPQXXHCQHSTJEI-OCCSQVGLSA-N 1 0 308.426 0.246 10 0 DCAERO 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/nfs/dbraw/zinc/63/10/68/415631068.db2.gz DZXPFGIMDYALAO-OAHLLOKOSA-N 1 0 308.426 0.877 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cn(C)cn1 ZINC000333386411 415631486 /nfs/dbraw/zinc/63/14/86/415631486.db2.gz YFWLIFFYIAXZSB-GFCCVEGCSA-N 1 0 300.428 0.819 10 0 DCAERO CCOc1nnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000106840991 415647851 /nfs/dbraw/zinc/64/78/51/415647851.db2.gz DKNCBXOIWBIRLK-MNOVXSKESA-N 1 0 300.428 0.824 10 0 DCAERO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000333441605 415649435 /nfs/dbraw/zinc/64/94/35/415649435.db2.gz WEGHEQFFLZMYSY-UWVGGRQHSA-N 1 0 322.331 0.591 10 0 DCAERO CN(CC(N)=O)C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113958 415578638 /nfs/dbraw/zinc/57/86/38/415578638.db2.gz QCSLYZOUSFYEKG-GDBMZVCRSA-N 1 0 321.396 0.931 10 0 DCAERO COCC[N@H+](C)CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000110689988 415685273 /nfs/dbraw/zinc/68/52/73/415685273.db2.gz FTFGBKVPRKPKSK-GFCCVEGCSA-N 1 0 312.439 0.806 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nnc2n1CCCC2 ZINC000113597328 415719825 /nfs/dbraw/zinc/71/98/25/415719825.db2.gz SPJRPFWMWYCJNF-QWHCGFSZSA-N 1 0 318.425 0.993 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000114963383 415724411 /nfs/dbraw/zinc/72/44/11/415724411.db2.gz FBTROYNGUNTQHI-STQMWFEESA-N 1 0 320.441 0.796 10 0 DCAERO COCC1(CNC(=O)N2CCO[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000333722223 415725905 /nfs/dbraw/zinc/72/59/05/415725905.db2.gz UUBPRFZECMIUDK-AWEZNQCLSA-N 1 0 311.426 0.823 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000333638539 415701113 /nfs/dbraw/zinc/70/11/13/415701113.db2.gz BUMQBCDPUIIRLQ-FZMZJTMJSA-N 1 0 310.419 0.915 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333648654 415705587 /nfs/dbraw/zinc/70/55/87/415705587.db2.gz JLUCKYKSOSQYBR-CXAGYDPISA-N 1 0 322.453 0.187 10 0 DCAERO COC(=O)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112270051 415709833 /nfs/dbraw/zinc/70/98/33/415709833.db2.gz PHGLUPHXAPQQAR-UHFFFAOYSA-N 1 0 320.393 0.516 10 0 DCAERO Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCO2)cn1 ZINC000333777782 415738244 /nfs/dbraw/zinc/73/82/44/415738244.db2.gz DFUMNAVVSXVOSK-ZBFHGGJFSA-N 1 0 321.425 0.819 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000120527708 415774450 /nfs/dbraw/zinc/77/44/50/415774450.db2.gz WWKDPQMXBPGUOF-KGLIPLIRSA-N 1 0 321.425 0.446 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000122658913 415836352 /nfs/dbraw/zinc/83/63/52/415836352.db2.gz NHKDPDZDBBPVFZ-XQHKEYJVSA-N 1 0 305.444 0.400 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CCOC)n2)C1 ZINC000124203014 415850409 /nfs/dbraw/zinc/85/04/09/415850409.db2.gz DBUHLAUJVMWHGR-LBPRGKRZSA-N 1 0 323.397 0.069 10 0 DCAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000334104579 415808009 /nfs/dbraw/zinc/80/80/09/415808009.db2.gz XMWQMERIDWREMK-MELADBBJSA-N 1 0 322.413 0.342 10 0 DCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000334115361 415810574 /nfs/dbraw/zinc/81/05/74/415810574.db2.gz GSDBPKFCQZDJAD-UONOGXRCSA-N 1 0 307.398 0.597 10 0 DCAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CN2CCOCC2)C1(C)C ZINC000133117541 415939852 /nfs/dbraw/zinc/93/98/52/415939852.db2.gz GONTVNOOPCANSW-RRFJBIMHSA-N 1 0 300.443 0.815 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)cc(O)cc1=O ZINC000133129576 415942104 /nfs/dbraw/zinc/94/21/04/415942104.db2.gz RJMSKAJQTOMZJG-ZIAGYGMSSA-N 1 0 319.405 0.948 10 0 DCAERO C[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000134243292 415956537 /nfs/dbraw/zinc/95/65/37/415956537.db2.gz HYGGNSLPFLUUSF-OLZOCXBDSA-N 1 0 305.426 0.582 10 0 DCAERO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000408041775 287323187 /nfs/dbraw/zinc/32/31/87/287323187.db2.gz OKCHOYALQCWHFW-HZSPNIEDSA-N 1 0 309.410 0.176 10 0 DCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000344715114 415974913 /nfs/dbraw/zinc/97/49/13/415974913.db2.gz NIGDXEHIFAEWFH-NWDGAFQWSA-N 1 0 303.362 0.960 10 0 DCAERO O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000153258703 415979083 /nfs/dbraw/zinc/97/90/83/415979083.db2.gz RWNBPBHDCFPAIW-CQSZACIVSA-N 1 0 315.373 0.817 10 0 DCAERO O=C(C[C@@H]1NC(=O)NC1=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153674791 415986084 /nfs/dbraw/zinc/98/60/84/415986084.db2.gz UKWDEIVKTLDEIB-NEPJUHHUSA-N 1 0 308.382 0.061 10 0 DCAERO C[C@H]1CC[C@H](C)[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000174475432 416079701 /nfs/dbraw/zinc/07/97/01/416079701.db2.gz ZCUIWVDOQZDSQD-RYUDHWBXSA-N 1 0 300.428 0.819 10 0 DCAERO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173922577 416069622 /nfs/dbraw/zinc/06/96/22/416069622.db2.gz HAIHWHJAZPYEIS-STQMWFEESA-N 1 0 312.414 0.016 10 0 DCAERO CCCCOCCNC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173944421 416069678 /nfs/dbraw/zinc/06/96/78/416069678.db2.gz AXMANDPLHWJCOL-OAHLLOKOSA-N 1 0 313.442 0.326 10 0 DCAERO COC(=O)CCCS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174003530 416072179 /nfs/dbraw/zinc/07/21/79/416072179.db2.gz BFXFPYSHCPPULH-RYUDHWBXSA-N 1 0 306.428 0.588 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000338318548 416076537 /nfs/dbraw/zinc/07/65/37/416076537.db2.gz RTLAIQUVKFONNW-ZJUUUORDSA-N 1 0 316.345 0.267 10 0 DCAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)CN1CCOCC1 ZINC000163439394 416015341 /nfs/dbraw/zinc/01/53/41/416015341.db2.gz IKDBXZOIUCSBEE-JKSUJKDBSA-N 1 0 324.469 0.834 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000170844101 416034053 /nfs/dbraw/zinc/03/40/53/416034053.db2.gz SWXUCKVWAKGCDB-SNVBAGLBSA-N 1 0 322.340 0.026 10 0 DCAERO CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170844549 416034690 /nfs/dbraw/zinc/03/46/90/416034690.db2.gz QXFBRUXUQQPCRD-CYBMUJFWSA-N 1 0 318.377 0.147 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000171164732 416039088 /nfs/dbraw/zinc/03/90/88/416039088.db2.gz AEVWRZGRAZWPBR-AWEZNQCLSA-N 1 0 312.458 0.881 10 0 DCAERO CN(C)C(=O)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174759080 416085697 /nfs/dbraw/zinc/08/56/97/416085697.db2.gz YGIVKZUUEJQYQX-UHFFFAOYSA-N 1 0 318.421 0.851 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000174869437 416087187 /nfs/dbraw/zinc/08/71/87/416087187.db2.gz AMILQAXINLSALW-UMVBOHGHSA-N 1 0 324.421 0.945 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000175152923 416096659 /nfs/dbraw/zinc/09/66/59/416096659.db2.gz PSGTUWOJBSICAA-HUUCEWRRSA-N 1 0 319.453 0.903 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCn2ccnc21 ZINC000175127657 416096939 /nfs/dbraw/zinc/09/69/39/416096939.db2.gz IDFVRRJONFSJAO-UONOGXRCSA-N 1 0 306.410 0.988 10 0 DCAERO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178089742 416156672 /nfs/dbraw/zinc/15/66/72/416156672.db2.gz KHONPKNVBVOXDV-AGIUHOORSA-N 1 0 317.455 0.351 10 0 DCAERO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176626191 416131047 /nfs/dbraw/zinc/13/10/47/416131047.db2.gz VKKXNMUXEVIWDJ-CQSZACIVSA-N 1 0 317.455 0.212 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357849038 416141071 /nfs/dbraw/zinc/14/10/71/416141071.db2.gz LDHYCGDSIUDRIQ-ZDUSSCGKSA-N 1 0 314.430 0.217 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357849037 416141660 /nfs/dbraw/zinc/14/16/60/416141660.db2.gz LDHYCGDSIUDRIQ-CYBMUJFWSA-N 1 0 314.430 0.217 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000357899101 416148989 /nfs/dbraw/zinc/14/89/89/416148989.db2.gz FHISVAHJQKHJQT-GJZGRUSLSA-N 1 0 308.426 0.363 10 0 DCAERO COC1(C(=O)Nc2ccc(N3CCOCC3)nc2)CC[NH2+]CC1 ZINC000178676886 416168935 /nfs/dbraw/zinc/16/89/35/416168935.db2.gz CUQBIABAKNMLGG-UHFFFAOYSA-N 1 0 320.393 0.625 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178706880 416169242 /nfs/dbraw/zinc/16/92/42/416169242.db2.gz FPYHARKVAGZGBZ-UHFFFAOYSA-N 1 0 302.378 0.508 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccccc1 ZINC000180145448 416193368 /nfs/dbraw/zinc/19/33/68/416193368.db2.gz XOXHZZCMAWFGMQ-WFASDCNBSA-N 1 0 307.419 0.767 10 0 DCAERO COCc1noc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000182073158 416214623 /nfs/dbraw/zinc/21/46/23/416214623.db2.gz RFEUJGJDSZNKQX-GFCCVEGCSA-N 1 0 310.398 0.901 10 0 DCAERO C[C@@H]1CC[C@@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000182377714 416221364 /nfs/dbraw/zinc/22/13/64/416221364.db2.gz BACBITDTKZXUFQ-VXGBXAGGSA-N 1 0 319.409 0.554 10 0 DCAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178304131 416160475 /nfs/dbraw/zinc/16/04/75/416160475.db2.gz YMGKKKBKBIZTMS-ZDUSSCGKSA-N 1 0 300.428 0.595 10 0 DCAERO CN1CC[N@H+](C[C@H](O)CN2CCOCC2)C2(CCCCC2)C1 ZINC000178404982 416162338 /nfs/dbraw/zinc/16/23/38/416162338.db2.gz OKTBFAPGRVTAJA-MRXNPFEDSA-N 1 0 311.470 0.630 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NCC2=CC[NH2+]CC2)[C@H]1c1cccnc1 ZINC000186309653 416256626 /nfs/dbraw/zinc/25/66/26/416256626.db2.gz FNUMIGDLWHDQIV-GOEBONIOSA-N 1 0 314.389 0.637 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000186726696 416257706 /nfs/dbraw/zinc/25/77/06/416257706.db2.gz LIKNQSBVNZRDAB-GXTWGEPZSA-N 1 0 303.410 0.807 10 0 DCAERO Cc1cc(N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)n[nH]1 ZINC000187160006 416259765 /nfs/dbraw/zinc/25/97/65/416259765.db2.gz HXJSKUZWKVPQNG-UHFFFAOYSA-N 1 0 319.331 0.909 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H](CO)O1 ZINC000187977759 416262200 /nfs/dbraw/zinc/26/22/00/416262200.db2.gz MJVIMYHCIOHLBF-YUELXQCFSA-N 1 0 312.410 0.238 10 0 DCAERO CNC(=O)NC(=O)CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189631646 416267872 /nfs/dbraw/zinc/26/78/72/416267872.db2.gz BVKIZTIPBOWWNM-UHFFFAOYSA-N 1 0 320.397 0.255 10 0 DCAERO COC(=O)Cc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000189640899 416268675 /nfs/dbraw/zinc/26/86/75/416268675.db2.gz IYPYZUGABSDAND-HNNXBMFYSA-N 1 0 320.389 0.805 10 0 DCAERO 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416796915 /nfs/dbraw/zinc/79/69/15/416796915.db2.gz CWCFPGBUPFLJDM-SCRDCRAPSA-N 1 0 301.383 0.162 10 0 DCAERO CCOCC[C@@H](O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000444670237 416856726 /nfs/dbraw/zinc/85/67/26/416856726.db2.gz AOKMSABKVVWXNG-CYBMUJFWSA-N 1 0 302.415 0.343 10 0 DCAERO CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000371647324 416918372 /nfs/dbraw/zinc/91/83/72/416918372.db2.gz RPIWSVXAWZRSTA-RYUDHWBXSA-N 1 0 315.439 0.087 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)N(C)C1CCCCC1 ZINC000624396269 417026726 /nfs/dbraw/zinc/02/67/26/417026726.db2.gz IXIXOBPLCIBIAK-UHFFFAOYSA-N 1 0 307.460 0.664 10 0 DCAERO CCc1cnc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)s1 ZINC000388257720 417096693 /nfs/dbraw/zinc/09/66/93/417096693.db2.gz KBYUEPCVHIHYTR-SECBINFHSA-N 1 0 305.425 0.113 10 0 DCAERO CC(C)c1nnc(C(=O)N2CCN(CC[NH+](C)C)CC2)s1 ZINC000448601253 417086485 /nfs/dbraw/zinc/08/64/85/417086485.db2.gz RFDBCNSSZHQBAB-UHFFFAOYSA-N 1 0 311.455 0.981 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C[NH3+] ZINC000405850645 417123857 /nfs/dbraw/zinc/12/38/57/417123857.db2.gz JJZWNPZTJZIBAE-BXKDBHETSA-N 1 0 303.359 0.205 10 0 DCAERO OCCOCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404205097 417119404 /nfs/dbraw/zinc/11/94/04/417119404.db2.gz MNKHSRABKYOAKZ-ZWKOTPCHSA-N 1 0 320.433 0.971 10 0 DCAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000408120648 417142382 /nfs/dbraw/zinc/14/23/82/417142382.db2.gz AQMQGYCPSWQDGS-OLZOCXBDSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC000408185676 417147275 /nfs/dbraw/zinc/14/72/75/417147275.db2.gz DOYXYBDPFHBDNM-NSHDSACASA-N 1 0 305.444 0.067 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)CN2CCOCC2)CC12COC2 ZINC000451137096 417307534 /nfs/dbraw/zinc/30/75/34/417307534.db2.gz OKOVTNOFPASXTL-UONOGXRCSA-N 1 0 312.410 0.219 10 0 DCAERO CN1C(=O)CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1=O ZINC000570325858 417337723 /nfs/dbraw/zinc/33/77/23/417337723.db2.gz SZCWWPQULKYVEX-WXRRBKDZSA-N 1 0 322.409 0.450 10 0 DCAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1CCOCC1=O ZINC000452347439 417468257 /nfs/dbraw/zinc/46/82/57/417468257.db2.gz ZTZVONAJLAUKOZ-AWEZNQCLSA-N 1 0 311.426 0.472 10 0 DCAERO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1C[NH3+] ZINC000638904242 417581373 /nfs/dbraw/zinc/58/13/73/417581373.db2.gz PYTRYQQRDRBRRX-HTQZYQBOSA-N 1 0 301.188 0.849 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C)CC12COC2 ZINC000455448826 417606028 /nfs/dbraw/zinc/60/60/28/417606028.db2.gz QGAIQUVORPFQFH-RYUDHWBXSA-N 1 0 313.398 0.158 10 0 DCAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000456524053 417653709 /nfs/dbraw/zinc/65/37/09/417653709.db2.gz FVZASBAALQFIOR-WMLDXEAASA-N 1 0 321.421 0.542 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605695 417818619 /nfs/dbraw/zinc/81/86/19/417818619.db2.gz QNLNWZZKAZSLAK-LLVKDONJSA-N 1 0 305.444 0.386 10 0 DCAERO CC(C)(C)CCS(=O)(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000658408131 417960726 /nfs/dbraw/zinc/96/07/26/417960726.db2.gz AMKXACXLJYJRPS-UHFFFAOYSA-N 1 0 302.400 0.497 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000181395421 545902793 /nfs/dbraw/zinc/90/27/93/545902793.db2.gz WWHPSZUJQDNENO-AWEZNQCLSA-N 1 0 307.442 0.971 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)C(C)C ZINC000183671936 545908609 /nfs/dbraw/zinc/90/86/09/545908609.db2.gz AIZKMDDTCIECAC-CQSZACIVSA-N 1 0 313.348 0.941 10 0 DCAERO CO[C@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1C ZINC000189356793 261131247 /nfs/dbraw/zinc/13/12/47/261131247.db2.gz XIJSCJYVHHEHDU-NEPJUHHUSA-N 1 0 300.399 0.801 10 0 DCAERO CC[C@@H](C(N)=O)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191979881 261138435 /nfs/dbraw/zinc/13/84/35/261138435.db2.gz GESJFPILOZFIIJ-ZDUSSCGKSA-N 1 0 313.442 0.988 10 0 DCAERO COCCO[C@@H]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000193892600 261144038 /nfs/dbraw/zinc/14/40/38/261144038.db2.gz AXBPIBOVKCAAEN-CQSZACIVSA-N 1 0 320.455 0.539 10 0 DCAERO CCO[C@@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)[C@H]1OC ZINC000362110307 262000569 /nfs/dbraw/zinc/00/05/69/262000569.db2.gz RMVGECIONOFAGQ-BFHYXJOUSA-N 1 0 308.382 0.407 10 0 DCAERO CCOc1ncnc2c1CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)CC2 ZINC000374621190 262159011 /nfs/dbraw/zinc/15/90/11/262159011.db2.gz UYZSFDPMWCNNKX-MFKMUULPSA-N 1 0 306.366 0.266 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H](O)COCC2CC2)CC1 ZINC000358658394 271065142 /nfs/dbraw/zinc/06/51/42/271065142.db2.gz DXAJXFRFZKAJLV-OAHLLOKOSA-N 1 0 311.426 0.725 10 0 DCAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000459280114 271989523 /nfs/dbraw/zinc/98/95/23/271989523.db2.gz BYOYGAJWPDSCKK-CABCVRRESA-N 1 0 310.442 0.444 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)[N@H+](C)C1 ZINC000329041778 274083262 /nfs/dbraw/zinc/08/32/62/274083262.db2.gz SXZSYYLTTBCCFN-SNPRPXQTSA-N 1 0 320.437 0.703 10 0 DCAERO CN(CC1CC1)C(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000531472244 287778278 /nfs/dbraw/zinc/77/82/78/287778278.db2.gz CCYBYIMRERAVSY-INIZCTEOSA-N 1 0 322.409 0.165 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H](O)C(F)(F)F ZINC000261594650 276161576 /nfs/dbraw/zinc/16/15/76/276161576.db2.gz AUUIANPHJXDOIN-APOZVJGGSA-N 1 0 310.316 0.558 10 0 DCAERO CC[C@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC000123901729 276607581 /nfs/dbraw/zinc/60/75/81/276607581.db2.gz MLKPLVCHRWMKOM-CYBMUJFWSA-N 1 0 309.414 0.753 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)NCC2(CO)COC2)[C@H]1c1ccccc1 ZINC000247965326 277166593 /nfs/dbraw/zinc/16/65/93/277166593.db2.gz DMYBZADKRVMYOM-LSDHHAIUSA-N 1 0 319.405 0.740 10 0 DCAERO COC1(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCOCC1 ZINC000299746566 277186418 /nfs/dbraw/zinc/18/64/18/277186418.db2.gz YEEFBDMMXZBBLX-NXEZZACHSA-N 1 0 310.316 0.778 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000262182076 277904441 /nfs/dbraw/zinc/90/44/41/277904441.db2.gz RALRRJSPGPUMRD-GUTXKFCHSA-N 1 0 321.425 0.583 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000329383698 278068732 /nfs/dbraw/zinc/06/87/32/278068732.db2.gz OQNVRIFNLJLAGY-UQOMUDLDSA-N 1 0 309.410 0.053 10 0 DCAERO CC(=O)N[C@@H](C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107284398 278128054 /nfs/dbraw/zinc/12/80/54/278128054.db2.gz SOECTOUWYOKOPQ-DZGCQCFKSA-N 1 0 310.442 0.140 10 0 DCAERO NC(=O)c1c[nH+]ccc1NCc1cccc(N2CCOCC2)n1 ZINC000547827826 288083034 /nfs/dbraw/zinc/08/30/34/288083034.db2.gz GJJPJEZCWNJXMM-UHFFFAOYSA-N 1 0 313.361 0.446 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000118881468 279121981 /nfs/dbraw/zinc/12/19/81/279121981.db2.gz ZXKAFGXUCGQDAI-LLVKDONJSA-N 1 0 312.414 0.409 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000125463370 279296845 /nfs/dbraw/zinc/29/68/45/279296845.db2.gz PMAPYLCBRNRELJ-GFCCVEGCSA-N 1 0 320.393 0.267 10 0 DCAERO C[C@H](CNC(=O)[C@@H]1CCCn2ccnc21)C[NH+]1CCN(C)CC1 ZINC000176298973 279341518 /nfs/dbraw/zinc/34/15/18/279341518.db2.gz CWKJCDGZIONOBB-HUUCEWRRSA-N 1 0 319.453 0.760 10 0 DCAERO O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000332911351 279984863 /nfs/dbraw/zinc/98/48/63/279984863.db2.gz KRBKVOUZLWGMGJ-UONOGXRCSA-N 1 0 301.394 0.923 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C(F)(F)F ZINC000408047281 280142563 /nfs/dbraw/zinc/14/25/63/280142563.db2.gz GAMVODBZTLYDAV-QWHCGFSZSA-N 1 0 324.343 0.749 10 0 DCAERO CC(C)[C@H](C(=O)N1CCC[C@](O)(C(N)=O)C1)[NH+]1CCCCC1 ZINC000367005290 280149511 /nfs/dbraw/zinc/14/95/11/280149511.db2.gz YZDUKXAEDUCRFG-CZUORRHYSA-N 1 0 311.426 0.336 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000408243672 280376662 /nfs/dbraw/zinc/37/66/62/280376662.db2.gz JNEJONMBDYBHTR-BPLDGKMQSA-N 1 0 311.426 0.301 10 0 DCAERO COC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000552887443 288281570 /nfs/dbraw/zinc/28/15/70/288281570.db2.gz OWJMWXRXNWQGNN-HNNXBMFYSA-N 1 0 321.421 0.900 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCCOCc1ccccc1 ZINC000552954528 288282936 /nfs/dbraw/zinc/28/29/36/288282936.db2.gz MPKFXEDHAZIRSA-UHFFFAOYSA-N 1 0 321.421 0.730 10 0 DCAERO COC[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000554178694 288314385 /nfs/dbraw/zinc/31/43/85/288314385.db2.gz GNEUFUCEOLGNBI-MRXNPFEDSA-N 1 0 321.421 0.171 10 0 DCAERO Cn1cc(OCC(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000554567068 288329332 /nfs/dbraw/zinc/32/93/32/288329332.db2.gz USWJTVUQSLIORQ-UHFFFAOYSA-N 1 0 322.409 0.560 10 0 DCAERO C[C@H](CNC(=O)[C@@](C)(O)Cn1ccccc1=O)[NH+]1CCCC1 ZINC000555295647 288348433 /nfs/dbraw/zinc/34/84/33/288348433.db2.gz RZMPBBBJZPUARN-CJNGLKHVSA-N 1 0 307.394 0.200 10 0 DCAERO CN(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000555656234 288359537 /nfs/dbraw/zinc/35/95/37/288359537.db2.gz QLQBNRUZDBJIPS-CYBMUJFWSA-N 1 0 324.425 0.409 10 0 DCAERO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000036870002 281838148 /nfs/dbraw/zinc/83/81/48/281838148.db2.gz 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/nfs/dbraw/zinc/09/28/85/297092885.db2.gz VOFYLUPZJJQFMC-CHWSQXEVSA-N 1 0 314.451 0.896 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CN1CCOCC1 ZINC000175181570 298712613 /nfs/dbraw/zinc/71/26/13/298712613.db2.gz VSBRYEFIUDQEGX-HZPDHXFCSA-N 1 0 322.453 0.610 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000173744557 300311729 /nfs/dbraw/zinc/31/17/29/300311729.db2.gz LKMRANKISASUKB-WDEREUQCSA-N 1 0 303.428 0.009 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262419052 302743395 /nfs/dbraw/zinc/74/33/95/302743395.db2.gz ZXBDVDAAVPLPSI-NSHDSACASA-N 1 0 308.426 0.840 10 0 DCAERO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000332929595 333270929 /nfs/dbraw/zinc/27/09/29/333270929.db2.gz PKRGMDUDBREBCH-WCFLWFBJSA-N 1 0 311.451 0.897 10 0 DCAERO CC[NH+](CC)C[C@H](O)COc1cccc2c1C[C@@H](O)[C@H](O)C2 ZINC000584623511 337375266 /nfs/dbraw/zinc/37/52/66/337375266.db2.gz XACXQJRABSEONP-NUEKZKHPSA-N 1 0 309.406 0.589 10 0 DCAERO 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/nfs/dbraw/zinc/38/93/27/659389327.db2.gz GRBIKJMKOJBKAL-UHFFFAOYSA-N 1 0 301.437 0.167 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1COc2ccccc2C1 ZINC000261622964 661327343 /nfs/dbraw/zinc/32/73/43/661327343.db2.gz AZROWAWUERHZJI-CQSZACIVSA-N 1 0 317.389 0.128 10 0 DCAERO CC1([C@@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)OCCO1 ZINC000248468272 661520266 /nfs/dbraw/zinc/52/02/66/661520266.db2.gz UBCDRNSFBFDZRY-ZIAGYGMSSA-N 1 0 312.410 0.445 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)O1 ZINC000248863146 661534319 /nfs/dbraw/zinc/53/43/19/661534319.db2.gz AMKDWKPCAPAZNS-FQUUOJAGSA-N 1 0 310.394 0.650 10 0 DCAERO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261867770 661764832 /nfs/dbraw/zinc/76/48/32/661764832.db2.gz ZGRLGMNQZVSMQT-JTQLQIEISA-N 1 0 320.436 0.366 10 0 DCAERO Cc1cc(-n2c(C)cc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)c2C)no1 ZINC000262129572 662099973 /nfs/dbraw/zinc/09/99/73/662099973.db2.gz GJSLWVBAAKEPAS-TZMCWYRMSA-N 1 0 318.377 0.701 10 0 DCAERO 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10 0 DCAERO [NH3+][C@H]1CCCCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000709031820 667443926 /nfs/dbraw/zinc/44/39/26/667443926.db2.gz DPWKMJOFRKYDGI-RYUDHWBXSA-N 1 0 320.480 0.637 10 0 DCAERO CCCS(=O)(=O)CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709827509 667445682 /nfs/dbraw/zinc/44/56/82/667445682.db2.gz RYVNGAMZIZWFRR-NXEZZACHSA-N 1 0 302.362 0.880 10 0 DCAERO CCCCN(C)S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710137205 667445865 /nfs/dbraw/zinc/44/58/65/667445865.db2.gz GRXNPJZYEWPLDO-UHFFFAOYSA-N 1 0 318.468 0.937 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000134013739 667503821 /nfs/dbraw/zinc/50/38/21/667503821.db2.gz GJDCHWVEKPBVDM-ZDUSSCGKSA-N 1 0 318.439 0.497 10 0 DCAERO COc1cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc(Br)c1O ZINC000717314133 667559216 /nfs/dbraw/zinc/55/92/16/667559216.db2.gz BPGNYWCNADOPRP-GMSGAONNSA-N 1 0 320.183 0.995 10 0 DCAERO CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000886082629 667730412 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C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1nnnn1C1CC1 ZINC000249615501 685182937 /nfs/dbraw/zinc/18/29/37/685182937.db2.gz PAJGHWUVRXBJSR-PWSUYJOCSA-N 1 0 305.386 0.559 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089755321 1175344450 /nfs/dbraw/zinc/34/44/50/1175344450.db2.gz MUCJATWUIQJHOX-JOYOIKCWSA-N 1 0 310.375 0.546 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000093061680 1175632580 /nfs/dbraw/zinc/63/25/80/1175632580.db2.gz IWCJKPRAMSFYBW-UHFFFAOYSA-N 1 0 308.451 0.886 10 0 DCAERO C[NH+]1CCC(C(=O)NCCNC(=O)c2ccccc2O)CC1 ZINC000151846982 1180544910 /nfs/dbraw/zinc/54/49/10/1180544910.db2.gz FQRKDGDBEIOGPL-UHFFFAOYSA-N 1 0 305.378 0.580 10 0 DCAERO CN(C)c1nccc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262122155 1185161850 /nfs/dbraw/zinc/16/18/50/1185161850.db2.gz XIWBBDVRIMCDIP-MRXNPFEDSA-N 1 0 304.442 0.664 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc32)[C@H](C)C1 ZINC000194015540 1188113959 /nfs/dbraw/zinc/11/39/59/1188113959.db2.gz 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O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2cnccn2)[n-]1 ZINC000073696140 191342554 /nfs/dbraw/zinc/34/25/54/191342554.db2.gz FDDFBZYVBRVYPC-UHFFFAOYSA-N 1 0 300.366 0.728 10 0 DCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000081482745 192273029 /nfs/dbraw/zinc/27/30/29/192273029.db2.gz OVMTXQBZWVRQLB-LBPRGKRZSA-N 1 0 324.425 0.507 10 0 DCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000236870271 202044924 /nfs/dbraw/zinc/04/49/24/202044924.db2.gz JLBYQOVUHFCIPP-QWHCGFSZSA-N 1 0 312.341 0.990 10 0 DCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000236905945 202062639 /nfs/dbraw/zinc/06/26/39/202062639.db2.gz NNOILQQCZFCGNJ-YPMHNXCESA-N 1 0 307.398 0.507 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)NCC[NH+](C)C)C2=O)n(C)n1 ZINC000179219445 199000200 /nfs/dbraw/zinc/00/02/00/199000200.db2.gz LSFUKUNSNFZGAK-LBPRGKRZSA-N 1 0 322.413 0.085 10 0 DCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000245809211 283303326 /nfs/dbraw/zinc/30/33/26/283303326.db2.gz FQKMMAMGSHBDNP-RWMBFGLXSA-N 1 0 305.444 0.414 10 0 DCAERO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180117942 199119193 /nfs/dbraw/zinc/11/91/93/199119193.db2.gz XGBGYCBXTRSUCY-SMDDNHRTSA-N 1 0 316.423 0.772 10 0 DCAERO CN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000180534278 199172287 /nfs/dbraw/zinc/17/22/87/199172287.db2.gz METDFIGJBLQDFS-ZDUSSCGKSA-N 1 0 311.426 0.424 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000261712109 283390337 /nfs/dbraw/zinc/39/03/37/283390337.db2.gz VIJYCUPPTJOXJW-KGLIPLIRSA-N 1 0 311.426 0.662 10 0 DCAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)[N@H+](C)C1CC1 ZINC000173108993 237154507 /nfs/dbraw/zinc/15/45/07/237154507.db2.gz GILUXYSBGPFSJQ-IJLUTSLNSA-N 1 0 305.444 0.413 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)N1CCC[N@H+](C)CC1 ZINC000181698096 237268749 /nfs/dbraw/zinc/26/87/49/237268749.db2.gz OUTWMGYGGBAFDL-UHFFFAOYSA-N 1 0 303.366 0.755 10 0 DCAERO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC1(CO)CC1 ZINC000186825070 237324813 /nfs/dbraw/zinc/32/48/13/237324813.db2.gz MRNJQXWLPXZTNH-MRVPVSSYSA-N 1 0 311.304 0.467 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188029259 237365592 /nfs/dbraw/zinc/36/55/92/237365592.db2.gz KZRIVMZDSIFEAA-ZYHUDNBSSA-N 1 0 306.366 0.757 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCC[C@@H]1CCO ZINC000188422510 237371430 /nfs/dbraw/zinc/37/14/30/237371430.db2.gz DLHNIVUTNRLRHS-ILXRZTDVSA-N 1 0 313.442 0.684 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cn2ccnc2s1 ZINC000188804191 237380990 /nfs/dbraw/zinc/38/09/90/237380990.db2.gz HEWCLLCRALBJIL-LLVKDONJSA-N 1 0 308.407 0.972 10 0 DCAERO CC(=O)Nc1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000188299449 200223506 /nfs/dbraw/zinc/22/35/06/200223506.db2.gz RXUUFTAWPGKAGV-UHFFFAOYSA-N 1 0 313.361 0.944 10 0 DCAERO COC[C@@](C)([NH3+])CNc1ncc(I)cn1 ZINC000308818217 291251793 /nfs/dbraw/zinc/25/17/93/291251793.db2.gz FTUNZGYTEOFKHC-VIFPVBQESA-N 1 0 322.150 0.857 10 0 DCAERO C[C@H]([NH2+][C@@H]1COC[C@H]1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400337491 239252552 /nfs/dbraw/zinc/25/25/52/239252552.db2.gz HVOBHAFJMXLRJJ-WUHRBBMRSA-N 1 0 300.399 0.981 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)Cn2ccnc2C)CC12COC2 ZINC000457813570 241037765 /nfs/dbraw/zinc/03/77/65/241037765.db2.gz KSRFEDPUWVIUDH-LBPRGKRZSA-N 1 0 307.350 0.230 10 0 DCAERO CCN1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000233489531 261154055 /nfs/dbraw/zinc/15/40/55/261154055.db2.gz DXTMGYUYVBKKMA-RYUDHWBXSA-N 1 0 304.412 0.295 10 0 DCAERO CNC(=O)c1ccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000266009965 205024843 /nfs/dbraw/zinc/02/48/43/205024843.db2.gz NBTKGEZUMYEVQT-VXGBXAGGSA-N 1 0 307.398 0.747 10 0 DCAERO CC(=O)Nc1ccc(N2C(=O)C[C@@H](SCC[NH3+])C2=O)cc1 ZINC000016900247 182063197 /nfs/dbraw/zinc/06/31/97/182063197.db2.gz FPQNIXRVPPVQPP-GFCCVEGCSA-N 1 0 307.375 0.969 10 0 DCAERO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000104846976 194046085 /nfs/dbraw/zinc/04/60/85/194046085.db2.gz ZXGMQXZNMPMRTP-UHFFFAOYSA-N 1 0 301.346 0.736 10 0 DCAERO CC[C@@H]1CN([C@@H](C)C(=O)NCCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000105826757 194137435 /nfs/dbraw/zinc/13/74/35/194137435.db2.gz KYIJYGSSWDPVCT-QLFBSQMISA-N 1 0 315.458 0.305 10 0 DCAERO CCOc1ccnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1 ZINC000105820077 194135885 /nfs/dbraw/zinc/13/58/85/194135885.db2.gz RSLLXOAVSOIKTE-UHFFFAOYSA-N 1 0 321.425 0.866 10 0 DCAERO CN(c1cccnn1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000105868192 194151860 /nfs/dbraw/zinc/15/18/60/194151860.db2.gz BJXOAQPJXXWZOQ-CQSZACIVSA-N 1 0 303.410 0.998 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873795 194153538 /nfs/dbraw/zinc/15/35/38/194153538.db2.gz ROSNWNISJZEVNY-GHMZBOCLSA-N 1 0 322.413 0.540 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246800 183779285 /nfs/dbraw/zinc/77/92/85/183779285.db2.gz UFMSFAVKEKZVTO-SNVBAGLBSA-N 1 0 316.379 0.652 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080657 194389682 /nfs/dbraw/zinc/38/96/82/194389682.db2.gz TXXUTSFXWLLIGK-GJZGRUSLSA-N 1 0 306.410 0.985 10 0 DCAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000063018099 184267240 /nfs/dbraw/zinc/26/72/40/184267240.db2.gz IPMFVJURPRZDIO-RYUDHWBXSA-N 1 0 311.469 0.472 10 0 DCAERO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2 ZINC000065210487 184314445 /nfs/dbraw/zinc/31/44/45/184314445.db2.gz YIFCQVADZJKFBE-UHFFFAOYSA-N 1 0 311.407 0.300 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)CN2CCc3ncn(C)c3C2)C1 ZINC000065293028 184324065 /nfs/dbraw/zinc/32/40/65/184324065.db2.gz AILNSTWEXRBREH-CQSZACIVSA-N 1 0 319.453 0.626 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCCNC1=O ZINC000247478187 285025085 /nfs/dbraw/zinc/02/50/85/285025085.db2.gz ITUILAAGPCHDQO-OLZOCXBDSA-N 1 0 312.414 0.065 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(Cn2ccnn2)CC1 ZINC000333842443 252768367 /nfs/dbraw/zinc/76/83/67/252768367.db2.gz 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ZINC000096074361 257135795 /nfs/dbraw/zinc/13/57/95/257135795.db2.gz LTBLTYSOACIUBZ-INIZCTEOSA-N 1 0 318.377 0.301 10 0 DCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950428 285352016 /nfs/dbraw/zinc/35/20/16/285352016.db2.gz FTCUIQRRSFJDGV-VXGBXAGGSA-N 1 0 312.332 0.069 10 0 DCAERO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000188671239 533372946 /nfs/dbraw/zinc/37/29/46/533372946.db2.gz QYGQVBBSPXQOAC-SMDDNHRTSA-N 1 0 319.409 0.955 10 0 DCAERO Cn1nccc1[C@H]1[C@H]([NH2+]CCn2cncn2)CC(=O)N1C1CC1 ZINC000285366756 131161357 /nfs/dbraw/zinc/16/13/57/131161357.db2.gz YBKQJWKUKQOXML-IUODEOHRSA-N 1 0 315.381 0.106 10 0 DCAERO O=C(NC[C@@H]1CCCS1)NCC1CC[NH+](CCO)CC1 ZINC000121034254 132151895 /nfs/dbraw/zinc/15/18/95/132151895.db2.gz MRZRPQQMJYIPLO-ZDUSSCGKSA-N 1 0 301.456 0.886 10 0 DCAERO COCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000035161749 395719350 /nfs/dbraw/zinc/71/93/50/395719350.db2.gz LTVFUNQFFDOIJF-ZDUSSCGKSA-N 1 0 315.439 0.986 10 0 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ZINC000054887065 395907801 /nfs/dbraw/zinc/90/78/01/395907801.db2.gz ACGDZAXCTAXQLQ-CQSZACIVSA-N 1 0 311.426 0.329 10 0 DCAERO C[NH2+]C[C@H](C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000237300684 395909293 /nfs/dbraw/zinc/90/92/93/395909293.db2.gz AXKGKPCLFPTIPK-NSHDSACASA-N 1 0 315.368 0.778 10 0 DCAERO C[NH2+]C[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000237334044 395910308 /nfs/dbraw/zinc/91/03/08/395910308.db2.gz UEAUTMWMROBOAT-AWEZNQCLSA-N 1 0 305.422 0.991 10 0 DCAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000055265160 395914631 /nfs/dbraw/zinc/91/46/31/395914631.db2.gz IWAOPVXRSWUHDO-MGPQQGTHSA-N 1 0 319.471 0.662 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000127137298 395914934 /nfs/dbraw/zinc/91/49/34/395914934.db2.gz NJJPXHWZOUWHIX-OLZOCXBDSA-N 1 0 312.414 0.017 10 0 DCAERO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCC[NH3+] ZINC000237617031 395916505 /nfs/dbraw/zinc/91/65/05/395916505.db2.gz ALIGDAPTNAGNIR-UHFFFAOYSA-N 1 0 306.409 0.026 10 0 DCAERO C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000119548898 395872484 /nfs/dbraw/zinc/87/24/84/395872484.db2.gz SKXZCLRKFOOLRO-RYUDHWBXSA-N 1 0 319.471 0.791 10 0 DCAERO C[NH+](C)C[C@H]1CCCCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000119946769 395879039 /nfs/dbraw/zinc/87/90/39/395879039.db2.gz ODLLWHOIQBOPRZ-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416077 395928777 /nfs/dbraw/zinc/92/87/77/395928777.db2.gz DVZWJMPUGIMQFV-GJZGRUSLSA-N 1 0 310.442 0.444 10 0 DCAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000245676753 395934052 /nfs/dbraw/zinc/93/40/52/395934052.db2.gz FYPYEFNDAFBXHU-CABCVRRESA-N 1 0 312.458 0.690 10 0 DCAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000245710126 395934433 /nfs/dbraw/zinc/93/44/33/395934433.db2.gz PAIDBCNSZUCYGF-OWCLPIDISA-N 1 0 309.406 0.779 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1CC ZINC000246076518 395941220 /nfs/dbraw/zinc/94/12/20/395941220.db2.gz YWVFGUWVISZMDK-KBPBESRZSA-N 1 0 311.426 0.472 10 0 DCAERO Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000138477108 395952229 /nfs/dbraw/zinc/95/22/29/395952229.db2.gz JZNBBZRLBWXGCB-CQSZACIVSA-N 1 0 321.425 0.293 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1N1CCOCC1 ZINC000246628413 395954391 /nfs/dbraw/zinc/95/43/91/395954391.db2.gz ZFGMFSJFIDYFBE-GDBMZVCRSA-N 1 0 321.421 0.891 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247016599 395963425 /nfs/dbraw/zinc/96/34/25/395963425.db2.gz RZFAAELXZIIKSE-OLZOCXBDSA-N 1 0 302.440 0.896 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000246998730 395963911 /nfs/dbraw/zinc/96/39/11/395963911.db2.gz BJAYMSBNAJIZEB-JYJNAYRXSA-N 1 0 308.422 0.813 10 0 DCAERO CCOCC[N@@H+]1CCN(C[C@@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000247376942 395972222 /nfs/dbraw/zinc/97/22/22/395972222.db2.gz FXIFHXMNMQGERP-LSDHHAIUSA-N 1 0 313.442 0.012 10 0 DCAERO CS(=O)(=O)c1ccc([C@@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247436766 395973179 /nfs/dbraw/zinc/97/31/79/395973179.db2.gz ZGIQJLDXTBUYOJ-HOCLYGCPSA-N 1 0 324.446 0.904 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247553657 395975802 /nfs/dbraw/zinc/97/58/02/395975802.db2.gz ZMTKCKRCQXOMLC-RDBSUJKOSA-N 1 0 308.426 0.875 10 0 DCAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)no1 ZINC000247556993 395976708 /nfs/dbraw/zinc/97/67/08/395976708.db2.gz QYVJPYOUYALNDR-ZIAGYGMSSA-N 1 0 322.409 0.616 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCS[C@@H]2COCC[C@H]21 ZINC000248974092 396001114 /nfs/dbraw/zinc/00/11/14/396001114.db2.gz QEPMSGWHRYGWNL-CHWSQXEVSA-N 1 0 320.480 0.618 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247989523 395980997 /nfs/dbraw/zinc/98/09/97/395980997.db2.gz JEVKPICXZQNENE-XJKSGUPXSA-N 1 0 312.410 0.635 10 0 DCAERO CC[C@H]1CN(C(=O)CCCC(=O)OC)CC[N@@H+]1C[C@H](C)O ZINC000248398951 395986297 /nfs/dbraw/zinc/98/62/97/395986297.db2.gz UWYIXUBWYAZTPY-STQMWFEESA-N 1 0 300.399 0.633 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000252657634 396024195 /nfs/dbraw/zinc/02/41/95/396024195.db2.gz CMVIUOCARIPPNU-KGLIPLIRSA-N 1 0 304.456 0.895 10 0 DCAERO CNC(=O)CCC[N@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000155305948 396049389 /nfs/dbraw/zinc/04/93/89/396049389.db2.gz PGLWGCNIEBBPBV-UHFFFAOYSA-N 1 0 307.394 0.769 10 0 DCAERO [NH3+]CC1(C(=O)NCCC(=O)N2CCCCCC2)CCOCC1 ZINC000261855358 396072528 /nfs/dbraw/zinc/07/25/28/396072528.db2.gz BOTCZBLBICOSOY-UHFFFAOYSA-N 1 0 311.426 0.651 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000155557344 396054056 /nfs/dbraw/zinc/05/40/56/396054056.db2.gz UVLIFARQYPBMKT-CQSZACIVSA-N 1 0 316.405 0.756 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000155580176 396054188 /nfs/dbraw/zinc/05/41/88/396054188.db2.gz ZNKHNUDOKDSOHT-ZJUUUORDSA-N 1 0 315.395 0.386 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000156136464 396061192 /nfs/dbraw/zinc/06/11/92/396061192.db2.gz VJNSLGUEDXBVGU-ZYHUDNBSSA-N 1 0 311.407 0.547 10 0 DCAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000261750786 396062004 /nfs/dbraw/zinc/06/20/04/396062004.db2.gz FFJIRJMIBTZCQO-GFCCVEGCSA-N 1 0 315.377 0.952 10 0 DCAERO CC(C)N1C(=O)CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1(C)C ZINC000261758128 396062636 /nfs/dbraw/zinc/06/26/36/396062636.db2.gz LPRBPEPCKQAEOS-CQSZACIVSA-N 1 0 311.426 0.598 10 0 DCAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cn(-c2ccccc2)nn1 ZINC000261811633 396068992 /nfs/dbraw/zinc/06/89/92/396068992.db2.gz HKPKXQGKIQSNFP-KYOSRNDESA-N 1 0 315.377 0.951 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)nn1C ZINC000249163094 396003714 /nfs/dbraw/zinc/00/37/14/396003714.db2.gz JQJGRUPVVPGHTA-STQMWFEESA-N 1 0 319.409 0.752 10 0 DCAERO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000152533963 396012040 /nfs/dbraw/zinc/01/20/40/396012040.db2.gz UKORADOLNASIEK-LBPRGKRZSA-N 1 0 322.413 0.211 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249773192 396012841 /nfs/dbraw/zinc/01/28/41/396012841.db2.gz UMOARGBONLJNFJ-KBPBESRZSA-N 1 0 308.426 0.923 10 0 DCAERO CCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])s1 ZINC000250426163 396014447 /nfs/dbraw/zinc/01/44/47/396014447.db2.gz DQFDXWQZGSGQRB-SNVBAGLBSA-N 1 0 303.453 0.574 10 0 DCAERO CN1CCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000250526827 396015217 /nfs/dbraw/zinc/01/52/17/396015217.db2.gz QWJJUDXEUQDNMD-YPMHNXCESA-N 1 0 303.362 0.559 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000250895677 396015775 /nfs/dbraw/zinc/01/57/75/396015775.db2.gz UZAQLDZIWAORBV-LLVKDONJSA-N 1 0 317.842 0.912 10 0 DCAERO CC[N@H+](CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C1CC1 ZINC000152987412 396018837 /nfs/dbraw/zinc/01/88/37/396018837.db2.gz ZELJPWGMXSBLIF-ZDUSSCGKSA-N 1 0 305.426 0.989 10 0 DCAERO COC[C@H]1CN(C(=O)CN2CCCC2=O)CC12CC[NH2+]CC2 ZINC000169782380 396091955 /nfs/dbraw/zinc/09/19/55/396091955.db2.gz PDOVCBDPUDNVCV-CYBMUJFWSA-N 1 0 309.410 0.083 10 0 DCAERO Cn1c2ccccc2n(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1=O ZINC000170856337 396098830 /nfs/dbraw/zinc/09/88/30/396098830.db2.gz BYECYKMWBGUAFB-CYBMUJFWSA-N 1 0 316.405 0.893 10 0 DCAERO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000262114695 396100443 /nfs/dbraw/zinc/10/04/43/396100443.db2.gz LBYQPOGWHXNFQP-NWDGAFQWSA-N 1 0 317.455 0.286 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575313 396102827 /nfs/dbraw/zinc/10/28/27/396102827.db2.gz IJSBEAFQNZTTPF-NEPJUHHUSA-N 1 0 311.407 0.931 10 0 DCAERO O=C([C@H]1CNC(=O)C1)N1CCCN(Cc2cscn2)CC1 ZINC000171020381 396104060 /nfs/dbraw/zinc/10/40/60/396104060.db2.gz OKWSNPGCHMOJAQ-LLVKDONJSA-N 1 0 308.407 0.314 10 0 DCAERO COCC[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000171139028 396109032 /nfs/dbraw/zinc/10/90/32/396109032.db2.gz 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ZINC000261875604 396075083 /nfs/dbraw/zinc/07/50/83/396075083.db2.gz UCNVHOSYZULEGV-ZDUSSCGKSA-N 1 0 312.391 0.783 10 0 DCAERO CCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000162064190 396078973 /nfs/dbraw/zinc/07/89/73/396078973.db2.gz BAVCMFUYWHEYLF-UHFFFAOYSA-N 1 0 306.366 0.583 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000261925932 396080569 /nfs/dbraw/zinc/08/05/69/396080569.db2.gz CFDONDXFACRFNJ-HNNXBMFYSA-N 1 0 312.435 0.999 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)CCC(C)C ZINC000069500666 396081403 /nfs/dbraw/zinc/08/14/03/396081403.db2.gz CHIVJKHJZCBKAT-AWEZNQCLSA-N 1 0 313.442 0.766 10 0 DCAERO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000162707295 396083119 /nfs/dbraw/zinc/08/31/19/396083119.db2.gz BGDYTQQMCZLRAJ-NEPJUHHUSA-N 1 0 308.382 0.061 10 0 DCAERO CN(C)C(=O)N1CCC(c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263307490 396212767 /nfs/dbraw/zinc/21/27/67/396212767.db2.gz YCALDNMOVQLUTO-LBPRGKRZSA-N 1 0 322.413 0.507 10 0 DCAERO COC(=O)CSCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262508416 396148678 /nfs/dbraw/zinc/14/86/78/396148678.db2.gz CGZJIELBGLUFJR-UTUOFQBUSA-N 1 0 300.424 0.930 10 0 DCAERO Cn1nc(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c2ccccc2c1=O ZINC000262565947 396156201 /nfs/dbraw/zinc/15/62/01/396156201.db2.gz DBPQRDQZFHSOKP-SMDDNHRTSA-N 1 0 314.389 0.720 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177232070 396170195 /nfs/dbraw/zinc/17/01/95/396170195.db2.gz KVHCZGHXBDXOTM-RDJZCZTQSA-N 1 0 317.433 0.955 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177685193 396181292 /nfs/dbraw/zinc/18/12/92/396181292.db2.gz VLECOZKNPYDBCW-LLVKDONJSA-N 1 0 304.350 0.335 10 0 DCAERO COc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177681674 396181332 /nfs/dbraw/zinc/18/13/32/396181332.db2.gz QYIXDRYAOMIUDD-CYBMUJFWSA-N 1 0 303.362 0.940 10 0 DCAERO C[C@@H]1[NH2+]CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H]1C ZINC000262789396 396182406 /nfs/dbraw/zinc/18/24/06/396182406.db2.gz MTLKMNGSPXTBIA-QWRGUYRKSA-N 1 0 316.361 0.311 10 0 DCAERO Cn1cc([C@H]2CNCCN2C(=O)[C@H]2CSCCS2)cn1 ZINC000181420616 396238637 /nfs/dbraw/zinc/23/86/37/396238637.db2.gz WDLCSFODKSDLPH-VXGBXAGGSA-N 1 0 312.464 0.742 10 0 DCAERO C[C@H](C[S@](C)=O)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000182276594 396248956 /nfs/dbraw/zinc/24/89/56/396248956.db2.gz GJHPUDRYOYUFEZ-ODXCJYRJSA-N 1 0 305.444 0.165 10 0 DCAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCn1ccnn1 ZINC000182906867 396256733 /nfs/dbraw/zinc/25/67/33/396256733.db2.gz YNNAAADJXNTEJA-AWEZNQCLSA-N 1 0 309.414 0.578 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000079920582 396272468 /nfs/dbraw/zinc/27/24/68/396272468.db2.gz IFIRSWIGNZQSBE-INIZCTEOSA-N 1 0 310.394 0.689 10 0 DCAERO CCN(CC(=O)NC(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183756350 396274637 /nfs/dbraw/zinc/27/46/37/396274637.db2.gz ZGZHYJYNZNVRBL-CQSZACIVSA-N 1 0 304.394 0.778 10 0 DCAERO CCN(CC1CC1)S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000183901891 396277490 /nfs/dbraw/zinc/27/74/90/396277490.db2.gz FQOJCGIPDHMBQJ-CYBMUJFWSA-N 1 0 305.444 0.226 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CNC(=O)c2ccccc2)n1 ZINC000263306169 396213043 /nfs/dbraw/zinc/21/30/43/396213043.db2.gz XYIPFCLGFSWQDE-LBPRGKRZSA-N 1 0 301.350 0.576 10 0 DCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1n[nH]c2ccc(OC)cc21 ZINC000077472470 396224354 /nfs/dbraw/zinc/22/43/54/396224354.db2.gz OQROUSNMPWVTPL-OTYXRUKQSA-N 1 0 303.366 0.219 10 0 DCAERO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000077606963 396227464 /nfs/dbraw/zinc/22/74/64/396227464.db2.gz LABHPLHMCQFLIM-UHFFFAOYSA-N 1 0 311.407 0.500 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000184074038 396284029 /nfs/dbraw/zinc/28/40/29/396284029.db2.gz TYWUVPIBYJGLHX-KGLIPLIRSA-N 1 0 319.453 0.972 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn2c1CCCC2 ZINC000184379249 396293107 /nfs/dbraw/zinc/29/31/07/396293107.db2.gz PWSQYDSOMZFJFL-AWEZNQCLSA-N 1 0 319.453 0.975 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000185597525 396331128 /nfs/dbraw/zinc/33/11/28/396331128.db2.gz RDUAKUDOPXPKHQ-WCQYABFASA-N 1 0 312.414 0.016 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000186678651 396355617 /nfs/dbraw/zinc/35/56/17/396355617.db2.gz JNIGJUHUNOSDRO-IONNQARKSA-N 1 0 303.409 0.123 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187089919 396363112 /nfs/dbraw/zinc/36/31/12/396363112.db2.gz XADDAMWERIYTMJ-KBPBESRZSA-N 1 0 312.458 0.879 10 0 DCAERO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000186428166 396349774 /nfs/dbraw/zinc/34/97/74/396349774.db2.gz FBYCQXXYZROFLQ-OBJOEFQTSA-N 1 0 319.409 0.465 10 0 DCAERO Cc1c(C(=O)N2CCN(CCO)[C@@H](C)C2)cnn1CC(C)C ZINC000188761501 396385451 /nfs/dbraw/zinc/38/54/51/396385451.db2.gz JLORAAZGGPVXCF-ZDUSSCGKSA-N 1 0 308.426 0.986 10 0 DCAERO CCCCn1nccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189795432 396399399 /nfs/dbraw/zinc/39/93/99/396399399.db2.gz JRTPWAGPAQOEKN-UHFFFAOYSA-N 1 0 319.409 0.928 10 0 DCAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nnnn2C)ncn1 ZINC000189849230 396400136 /nfs/dbraw/zinc/40/01/36/396400136.db2.gz WFCYIVUGBOTVFT-WDEREUQCSA-N 1 0 317.401 0.361 10 0 DCAERO CC1CC[NH+](CCNC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000190210327 396403012 /nfs/dbraw/zinc/40/30/12/396403012.db2.gz RGCFAZLJURYGND-UHFFFAOYSA-N 1 0 308.426 0.638 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000190678433 396410505 /nfs/dbraw/zinc/41/05/05/396410505.db2.gz DVTHKBAMXUOZBF-KBPBESRZSA-N 1 0 300.447 0.689 10 0 DCAERO O=C(CN1CSCC1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192771262 396437625 /nfs/dbraw/zinc/43/76/25/396437625.db2.gz JGEIDXLAXFIKCU-UHFFFAOYSA-N 1 0 311.451 0.854 10 0 DCAERO C[C@H]([NH3+])CCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000193229061 396446447 /nfs/dbraw/zinc/44/64/47/396446447.db2.gz JBJVPCYPFJDHCY-LBPRGKRZSA-N 1 0 322.413 0.747 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000193243911 396446677 /nfs/dbraw/zinc/44/66/77/396446677.db2.gz AONMIRWCCLXCAX-NSHDSACASA-N 1 0 314.407 0.982 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1ncnc2c1CN(C)CC2 ZINC000291624023 396503067 /nfs/dbraw/zinc/50/30/67/396503067.db2.gz AXYCNFWMBKKLMN-IUODEOHRSA-N 1 0 305.426 0.356 10 0 DCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000193255361 396447719 /nfs/dbraw/zinc/44/77/19/396447719.db2.gz LEWVCLFQMJCYOS-GXTWGEPZSA-N 1 0 307.369 0.810 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000193293157 396448011 /nfs/dbraw/zinc/44/80/11/396448011.db2.gz WJYCZYBNYFMLKR-CQSZACIVSA-N 1 0 310.442 0.271 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cn1 ZINC000193385020 396449981 /nfs/dbraw/zinc/44/99/81/396449981.db2.gz MYGKQCJEJHVVDE-LBPRGKRZSA-N 1 0 322.413 0.483 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)o1 ZINC000193416126 396450714 /nfs/dbraw/zinc/45/07/14/396450714.db2.gz ZMEMJYIZNQSHLZ-PSASIEDQSA-N 1 0 316.379 0.651 10 0 DCAERO CCCC[NH+]1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000371982436 396481574 /nfs/dbraw/zinc/48/15/74/396481574.db2.gz AKDDOVIGRGYMBW-INIZCTEOSA-N 1 0 324.469 0.977 10 0 DCAERO CN1CCO[C@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567403 396566345 /nfs/dbraw/zinc/56/63/45/396566345.db2.gz ADLAOOBUOGLCSQ-SSDOTTSWSA-N 1 0 320.212 0.966 10 0 DCAERO C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H](C)[N@H+]1C ZINC000294068486 396651041 /nfs/dbraw/zinc/65/10/41/396651041.db2.gz VQJQTRQMEINQSZ-TXEJJXNPSA-N 1 0 302.378 0.881 10 0 DCAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000374053138 396635160 /nfs/dbraw/zinc/63/51/60/396635160.db2.gz HREXRUFTVZUFAT-LLVKDONJSA-N 1 0 320.397 0.705 10 0 DCAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000309738739 396759875 /nfs/dbraw/zinc/75/98/75/396759875.db2.gz RGZYBRACNGJOAR-CVEARBPZSA-N 1 0 303.406 0.613 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cccc(Cl)c1 ZINC000311596824 396761303 /nfs/dbraw/zinc/76/13/03/396761303.db2.gz HQZLYDADLKJXID-GFCCVEGCSA-N 1 0 304.799 0.748 10 0 DCAERO C[NH2+][C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1cnn(C)c1 ZINC000375971444 396853954 /nfs/dbraw/zinc/85/39/54/396853954.db2.gz BHFXNMYAGNGRIA-AWEZNQCLSA-N 1 0 302.382 0.810 10 0 DCAERO O=S(=O)(c1cc(F)ccc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000573076080 397129591 /nfs/dbraw/zinc/12/95/91/397129591.db2.gz XPXDAZALTAVWOB-WDEREUQCSA-N 1 0 320.773 0.840 10 0 DCAERO c1c(C[NH2+]CCCOC[C@H]2CCCO2)nnn1C[C@@H]1CCOC1 ZINC000631036669 397158442 /nfs/dbraw/zinc/15/84/42/397158442.db2.gz GQZLDFSOMLOWFV-GOEBONIOSA-N 1 0 324.425 0.990 10 0 DCAERO c1c(CNCCOC[C@H]2CCCO2)nnn1C[C@@H]1CCOC1 ZINC000631074308 397164616 /nfs/dbraw/zinc/16/46/16/397164616.db2.gz YGFNBILPGPSVPF-DZGCQCFKSA-N 1 0 310.398 0.600 10 0 DCAERO c1c(C[NH2+]CCCO[C@@H]2CCOC2)nnn1C[C@H]1CCOC1 ZINC000631090204 397168491 /nfs/dbraw/zinc/16/84/91/397168491.db2.gz WRZVSNHOWAFRNC-UKRRQHHQSA-N 1 0 310.398 0.600 10 0 DCAERO C[C@H](CNC(=O)N1CCOCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000378434127 397240693 /nfs/dbraw/zinc/24/06/93/397240693.db2.gz UGUOPKCTLDBYRN-HUUCEWRRSA-N 1 0 312.458 0.690 10 0 DCAERO CNS(=O)(=O)CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000407950642 397333152 /nfs/dbraw/zinc/33/31/52/397333152.db2.gz CCLQSYNUYOBTHG-UHFFFAOYSA-N 1 0 303.472 0.876 10 0 DCAERO c1nnc2ccc(N3CC[NH+](C[C@@H]4CCCOC4)CC3)nn12 ZINC000407950550 397333971 /nfs/dbraw/zinc/33/39/71/397333971.db2.gz ANFBQIIKUJFITN-ZDUSSCGKSA-N 1 0 302.382 0.673 10 0 DCAERO Cn1nc(C(=O)N2CC[NH2+]C(C)(C)C2)c(=O)c2ccccc21 ZINC000408318157 397352747 /nfs/dbraw/zinc/35/27/47/397352747.db2.gz CNENQTXBKXPQDY-UHFFFAOYSA-N 1 0 300.362 0.758 10 0 DCAERO Cc1nc2ccnn2cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070666 397375084 /nfs/dbraw/zinc/37/50/84/397375084.db2.gz NSLJDJOFNGZGGD-INIZCTEOSA-N 1 0 317.393 0.566 10 0 DCAERO COC(=O)CCCN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602522378 397427609 /nfs/dbraw/zinc/42/76/09/397427609.db2.gz SGBCSQPXEZXJKA-OAHLLOKOSA-N 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/nfs/dbraw/zinc/01/80/16/158018016.db2.gz RPYWOIVQMLACIV-UHFFFAOYSA-N 1 0 302.440 0.756 10 0 DCAERO O=C(c1cccc(-n2cnnn2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605532 158028639 /nfs/dbraw/zinc/02/86/39/158028639.db2.gz GOYCRTDSBAPTAS-UHFFFAOYSA-N 1 0 312.377 0.973 10 0 DCAERO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)[NH+]1CCCCCC1 ZINC000078714894 158074597 /nfs/dbraw/zinc/07/45/97/158074597.db2.gz BXFBEBPBHMMDHU-UONOGXRCSA-N 1 0 311.426 0.614 10 0 DCAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)N1CCOCC1 ZINC000078714902 158074626 /nfs/dbraw/zinc/07/46/26/158074626.db2.gz BXFBEBPBHMMDHU-KBPBESRZSA-N 1 0 311.426 0.614 10 0 DCAERO CCCNC(=O)NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886061 158132113 /nfs/dbraw/zinc/13/21/13/158132113.db2.gz QXVIPEPRGHKZKU-UHFFFAOYSA-N 1 0 307.398 0.831 10 0 DCAERO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000111262979 158140290 /nfs/dbraw/zinc/14/02/90/158140290.db2.gz CBZVRSRATYHVKJ-ILXRZTDVSA-N 1 0 323.437 0.614 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)NC1CC1 ZINC000113595385 158149242 /nfs/dbraw/zinc/14/92/42/158149242.db2.gz ZKSVLSKXNRAVFU-TZMCWYRMSA-N 1 0 308.426 0.923 10 0 DCAERO CCN(CC)C(=O)CCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785445 158167606 /nfs/dbraw/zinc/16/76/06/158167606.db2.gz ORCREDUHOHKMMB-CQSZACIVSA-N 1 0 313.442 0.814 10 0 DCAERO Cc1cnn(CCCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116891294 158168286 /nfs/dbraw/zinc/16/82/86/158168286.db2.gz ISWJHAFUMUDOPN-CQSZACIVSA-N 1 0 314.455 0.985 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc(C)cn1 ZINC000118074283 158176330 /nfs/dbraw/zinc/17/63/30/158176330.db2.gz VWXJLQVXVQVBHR-AWEZNQCLSA-N 1 0 309.414 0.602 10 0 DCAERO NC(=O)N1CCC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000121085831 158206274 /nfs/dbraw/zinc/20/62/74/158206274.db2.gz GDTPJVWKENQLQO-CYBMUJFWSA-N 1 0 308.426 0.864 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000123702357 158232643 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[NH3+]C[C@H]1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131083710 158299426 /nfs/dbraw/zinc/29/94/26/158299426.db2.gz YQLNLXLDMPDNHW-LLVKDONJSA-N 1 0 316.361 0.030 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)NC(=O)COc2ccccc2)C1 ZINC000133743180 158321721 /nfs/dbraw/zinc/32/17/21/158321721.db2.gz KFAVOZGIJSFGTM-UONOGXRCSA-N 1 0 319.405 0.781 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)no1 ZINC000168457987 158372410 /nfs/dbraw/zinc/37/24/10/158372410.db2.gz DSAOQGQCFXXMEX-QWHCGFSZSA-N 1 0 321.425 0.794 10 0 DCAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C[C@H](C)O1 ZINC000170936673 158378587 /nfs/dbraw/zinc/37/85/87/158378587.db2.gz ONVYCMCCYPCTMW-VNHYZAJKSA-N 1 0 323.437 0.613 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921885 158378651 /nfs/dbraw/zinc/37/86/51/158378651.db2.gz KLYBXRZPMCUDIL-HNNXBMFYSA-N 1 0 310.442 0.491 10 0 DCAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000171897679 158387511 /nfs/dbraw/zinc/38/75/11/158387511.db2.gz ONTAMABCQBDUON-AWEZNQCLSA-N 1 0 310.442 0.587 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000172259081 158392686 /nfs/dbraw/zinc/39/26/86/158392686.db2.gz UDUDLSUZIYATMH-LBPRGKRZSA-N 1 0 319.471 0.841 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000172804846 158399341 /nfs/dbraw/zinc/39/93/41/158399341.db2.gz RUGVLBUUCOGVHI-JTQLQIEISA-N 1 0 322.331 0.545 10 0 DCAERO O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CCC[NH2+]1 ZINC000178728388 158463318 /nfs/dbraw/zinc/46/33/18/158463318.db2.gz VTCIWTRMAMWDAO-LLVKDONJSA-N 1 0 305.403 0.994 10 0 DCAERO CNC(=O)[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCO1 ZINC000181574648 158487454 /nfs/dbraw/zinc/48/74/54/158487454.db2.gz PVXHKVUDFWLQBA-ZDUSSCGKSA-N 1 0 312.414 0.019 10 0 DCAERO O=C(CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)NCC1CC1 ZINC000183779871 158502647 /nfs/dbraw/zinc/50/26/47/158502647.db2.gz KLXFAZUIECLIAP-AWEZNQCLSA-N 1 0 308.426 0.782 10 0 DCAERO CC1CC[NH+](CCCNC(=O)N2CCCN(C)C(=O)C2)CC1 ZINC000189733249 158554800 /nfs/dbraw/zinc/55/48/00/158554800.db2.gz IPQKOTUBHXAIBE-UHFFFAOYSA-N 1 0 310.442 0.982 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000246843047 158672019 /nfs/dbraw/zinc/67/20/19/158672019.db2.gz FCHHUSPWJZXKSA-QWHCGFSZSA-N 1 0 324.425 0.553 10 0 DCAERO O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261700175 158730272 /nfs/dbraw/zinc/73/02/72/158730272.db2.gz FNSVZDBGXZFIQN-BETUJISGSA-N 1 0 314.451 0.802 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)O1 ZINC000261881071 158748706 /nfs/dbraw/zinc/74/87/06/158748706.db2.gz UPWYYIGAPBMIAB-CABCVRRESA-N 1 0 305.378 0.547 10 0 DCAERO C[C@@H](C[C@H]1CCCO1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261992647 158761477 /nfs/dbraw/zinc/76/14/77/158761477.db2.gz SZTZBYKEZDHZFG-MYPMTAMASA-N 1 0 306.410 0.797 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC1C[NH2+]C1 ZINC000262018234 158764696 /nfs/dbraw/zinc/76/46/96/158764696.db2.gz LNDXOSGUOIYAOQ-UHFFFAOYSA-N 1 0 302.783 0.449 10 0 DCAERO COc1ccc([C@H](O)CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262054106 158768189 /nfs/dbraw/zinc/76/81/89/158768189.db2.gz ZZWYYGSAUZBHCO-CQSZACIVSA-N 1 0 308.378 0.600 10 0 DCAERO O=C(Cc1ccc(-n2cccn2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262054258 158768245 /nfs/dbraw/zinc/76/82/45/158768245.db2.gz AIZNCTBGZUXWTA-UKRRQHHQSA-N 1 0 300.362 0.111 10 0 DCAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262074141 158770591 /nfs/dbraw/zinc/77/05/91/158770591.db2.gz BXFYQGIOGNYUAJ-VHSXEESVSA-N 1 0 308.382 0.098 10 0 DCAERO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262292003 158792609 /nfs/dbraw/zinc/79/26/09/158792609.db2.gz OUALXXAAWSNYBE-GOEBONIOSA-N 1 0 314.389 0.501 10 0 DCAERO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262344861 158801477 /nfs/dbraw/zinc/80/14/77/158801477.db2.gz TZPWMMFBCQCOIV-ZYHUDNBSSA-N 1 0 321.402 0.951 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328723009 159023926 /nfs/dbraw/zinc/02/39/26/159023926.db2.gz SFCWNHPBZIIHCF-HOCLYGCPSA-N 1 0 318.421 0.523 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@H]2C1 ZINC000329155543 159068224 /nfs/dbraw/zinc/06/82/24/159068224.db2.gz BQRUMBCGSAPOEZ-VHSXEESVSA-N 1 0 318.299 0.974 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@@H]2C1 ZINC000329155545 159068460 /nfs/dbraw/zinc/06/84/60/159068460.db2.gz BQRUMBCGSAPOEZ-ZJUUUORDSA-N 1 0 318.299 0.974 10 0 DCAERO CC[C@H]1CCCCN1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190747 159071668 /nfs/dbraw/zinc/07/16/68/159071668.db2.gz REDJIWFCEOGAEG-MELADBBJSA-N 1 0 314.451 0.896 10 0 DCAERO O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329274110 159078346 /nfs/dbraw/zinc/07/83/46/159078346.db2.gz KHNHDSZALVBUAK-QWHCGFSZSA-N 1 0 302.440 0.959 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)[C@H]2C1 ZINC000329533993 159100199 /nfs/dbraw/zinc/10/01/99/159100199.db2.gz KQRCKGKURLUKHS-OWCLPIDISA-N 1 0 323.437 0.567 10 0 DCAERO O=C(CN1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000329672736 159111134 /nfs/dbraw/zinc/11/11/34/159111134.db2.gz URTYUYGFKOXIPM-MJBXVCDLSA-N 1 0 314.451 0.566 10 0 DCAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)[C@H]1CCN(C2CCOCC2)C1=O ZINC000330132195 159144995 /nfs/dbraw/zinc/14/49/95/159144995.db2.gz QEMPYHQTZLAELF-CFVMTHIKSA-N 1 0 312.410 0.238 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000330203743 159149400 /nfs/dbraw/zinc/14/94/00/159149400.db2.gz AZSVAQFYYCOJNR-GLQYFDAESA-N 1 0 309.410 0.223 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000332745327 159212460 /nfs/dbraw/zinc/21/24/60/159212460.db2.gz DFWFBZYSAAWYRG-KBPBESRZSA-N 1 0 310.442 0.045 10 0 DCAERO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000332780386 159213759 /nfs/dbraw/zinc/21/37/59/159213759.db2.gz RKNUNMVNUQAQQE-QLFBSQMISA-N 1 0 310.442 0.979 10 0 DCAERO O=C(Nc1ccc(N2CCC2=O)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000366885991 159295236 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Cc1nc([C@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)no1 ZINC000408030141 160017009 /nfs/dbraw/zinc/01/70/09/160017009.db2.gz KEZLSVPCLJWUAN-OLZOCXBDSA-N 1 0 305.382 0.431 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000408045343 160022044 /nfs/dbraw/zinc/02/20/44/160022044.db2.gz FOWGOWYPPFKSEZ-BBRMVZONSA-N 1 0 311.426 0.208 10 0 DCAERO COC(=O)c1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000408059361 160025761 /nfs/dbraw/zinc/02/57/61/160025761.db2.gz AWGBWRIMGAOWCG-MNOVXSKESA-N 1 0 309.322 0.006 10 0 DCAERO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408093381 160034157 /nfs/dbraw/zinc/03/41/57/160034157.db2.gz VHZHWXFOCHEZSJ-HRDYMLBCSA-N 1 0 311.304 0.466 10 0 DCAERO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([NH+](C)C)CC1 ZINC000408113954 160038973 /nfs/dbraw/zinc/03/89/73/160038973.db2.gz ZLUCBIZMQSYVHD-CHWSQXEVSA-N 1 0 310.442 0.125 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CC[S@@](=O)[C@@H](C)C2)CC1 ZINC000408210303 160060788 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/nfs/dbraw/zinc/80/18/26/415801826.db2.gz DAFYMXXUYQLMBH-UHFFFAOYSA-N 1 0 305.382 0.308 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000127104074 415881993 /nfs/dbraw/zinc/88/19/93/415881993.db2.gz FCRDFNSKTRFCCI-ZDUSSCGKSA-N 1 0 317.455 0.595 10 0 DCAERO CNC(=O)C1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000127200418 415885897 /nfs/dbraw/zinc/88/58/97/415885897.db2.gz RATQBCMZFGUISY-NSHDSACASA-N 1 0 321.343 0.998 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)COC1CCOCC1 ZINC000127526588 415888134 /nfs/dbraw/zinc/88/81/34/415888134.db2.gz PUCWMFWOQBBCQW-CABCVRRESA-N 1 0 300.443 0.959 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000128147258 415896745 /nfs/dbraw/zinc/89/67/45/415896745.db2.gz COPAKQYRKFLJOF-KGLIPLIRSA-N 1 0 310.442 0.981 10 0 DCAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000129834773 415913285 /nfs/dbraw/zinc/91/32/85/415913285.db2.gz NSHPAPQZJOXUOK-HNNXBMFYSA-N 1 0 320.437 0.685 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1CC ZINC000124910610 415855659 /nfs/dbraw/zinc/85/56/59/415855659.db2.gz URSYBVMIQRHXTJ-CQSZACIVSA-N 1 0 307.394 0.948 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000336914172 415858909 /nfs/dbraw/zinc/85/89/09/415858909.db2.gz KTIZZOBVLYFWPE-UTUOFQBUSA-N 1 0 303.428 0.298 10 0 DCAERO CN1C[C@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCC1=O ZINC000133735052 415949548 /nfs/dbraw/zinc/94/95/48/415949548.db2.gz ZJHCAZNMOGUCGD-HUUCEWRRSA-N 1 0 303.406 0.896 10 0 DCAERO COCC[NH2+]CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000158725450 416001277 /nfs/dbraw/zinc/00/12/77/416001277.db2.gz KEOPDEGTYDQCQW-AWEZNQCLSA-N 1 0 305.378 0.534 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000154927691 415991999 /nfs/dbraw/zinc/99/19/99/415991999.db2.gz SFPIBLKGTQRHJK-ZNMIVQPWSA-N 1 0 313.442 0.948 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)NCc2cccc(-n3cncn3)c2)[N@H+](C)C1 ZINC000345096135 416042792 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C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cnn(C)c2)CC1 ZINC000176888552 416137243 /nfs/dbraw/zinc/13/72/43/416137243.db2.gz VHNNJTRQSCRABC-AWEZNQCLSA-N 1 0 322.453 0.904 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000357851547 416141041 /nfs/dbraw/zinc/14/10/41/416141041.db2.gz VAKSQOHLFZFIQT-QWHCGFSZSA-N 1 0 313.446 0.818 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177329212 416144479 /nfs/dbraw/zinc/14/44/79/416144479.db2.gz MZBYABXBCMQYHO-LBPRGKRZSA-N 1 0 310.402 0.381 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN1CCOC1=O ZINC000177529097 416148090 /nfs/dbraw/zinc/14/80/90/416148090.db2.gz XJXMNFYQKXLCOG-CYBMUJFWSA-N 1 0 312.414 0.954 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000177594099 416148122 /nfs/dbraw/zinc/14/81/22/416148122.db2.gz TUSGQCOAVKFRMJ-WDEREUQCSA-N 1 0 310.398 0.306 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177761885 416151244 /nfs/dbraw/zinc/15/12/44/416151244.db2.gz AJIOBDKXCIDPHS-DZGCQCFKSA-N 1 0 322.453 0.282 10 0 DCAERO Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)n2ncnc2n1 ZINC000301266729 416080695 /nfs/dbraw/zinc/08/06/95/416080695.db2.gz FRZJWCMVEXWJQE-GFCCVEGCSA-N 1 0 300.370 0.881 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358379918 416233121 /nfs/dbraw/zinc/23/31/21/416233121.db2.gz DVFKGSWGOFLDEA-UHFFFAOYSA-N 1 0 319.409 0.744 10 0 DCAERO Cc1cnn(-c2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000358048962 416176512 /nfs/dbraw/zinc/17/65/12/416176512.db2.gz NTKLOXYITWNHFW-KRWDZBQOSA-N 1 0 314.389 0.977 10 0 DCAERO Cc1nc(CN2CCC[N@@H+]([C@@H](C)CN3CCOCC3)CC2)no1 ZINC000180615613 416199215 /nfs/dbraw/zinc/19/92/15/416199215.db2.gz PJHQCUSTQVLFAN-AWEZNQCLSA-N 1 0 323.441 0.606 10 0 DCAERO C[C@@H](CCNC(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCCCC1 ZINC000181713384 416211894 /nfs/dbraw/zinc/21/18/94/416211894.db2.gz YEVKJUBBRTXNQT-LSDHHAIUSA-N 1 0 312.458 0.881 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330643470 416221692 /nfs/dbraw/zinc/22/16/92/416221692.db2.gz FEBMEPABYRJIJH-UMVBOHGHSA-N 1 0 311.426 0.613 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330643469 416221723 /nfs/dbraw/zinc/22/17/23/416221723.db2.gz FEBMEPABYRJIJH-KCQAQPDRSA-N 1 0 311.426 0.613 10 0 DCAERO O=C([C@@H]1CCC[N@H+](CCCn2ccnc2)C1)N1CCOCC1 ZINC000182620115 416227528 /nfs/dbraw/zinc/22/75/28/416227528.db2.gz CLNNXSFNBQHEEC-OAHLLOKOSA-N 1 0 306.410 0.844 10 0 DCAERO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178117822 416158085 /nfs/dbraw/zinc/15/80/85/416158085.db2.gz BARMBCPOVKHVCL-CHWSQXEVSA-N 1 0 317.393 0.459 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178318111 416160418 /nfs/dbraw/zinc/16/04/18/416160418.db2.gz MLDVEQNBHBOUKC-OLZOCXBDSA-N 1 0 319.409 0.705 10 0 DCAERO COCC[NH2+]CC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000178352497 416163345 /nfs/dbraw/zinc/16/33/45/416163345.db2.gz QFKXOIWITJEBNZ-UHFFFAOYSA-N 1 0 319.405 0.643 10 0 DCAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000187188557 416259911 /nfs/dbraw/zinc/25/99/11/416259911.db2.gz SPMGJJCLVDSSCL-UONOGXRCSA-N 1 0 304.456 0.893 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189017875 416263694 /nfs/dbraw/zinc/26/36/94/416263694.db2.gz KVOPZDWUYNHIMG-JTQLQIEISA-N 1 0 303.366 0.778 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1CCO ZINC000190035834 416273200 /nfs/dbraw/zinc/27/32/00/416273200.db2.gz VLQVGRVECWRHBO-LLVKDONJSA-N 1 0 309.341 0.289 10 0 DCAERO Cc1ccc(F)c(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000190051756 416273788 /nfs/dbraw/zinc/27/37/88/416273788.db2.gz IPBSYHSXTALRNV-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO CC(C)Cn1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000359065443 416304792 /nfs/dbraw/zinc/30/47/92/416304792.db2.gz TXZNHYUTUYDCBT-UHFFFAOYSA-N 1 0 307.442 0.859 10 0 DCAERO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000193917361 416321318 /nfs/dbraw/zinc/32/13/18/416321318.db2.gz KIJFIHIZMYGGDY-RYSNWHEDSA-N 1 0 310.442 0.931 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H]3C[C@H](O)C3(C)C)ccn2)CC1 ZINC000190694150 416281875 /nfs/dbraw/zinc/28/18/75/416281875.db2.gz SATSIDJHQSZRBD-KBPBESRZSA-N 1 0 318.421 0.723 10 0 DCAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)CN1CCOCC1 ZINC000247323349 416332771 /nfs/dbraw/zinc/33/27/71/416332771.db2.gz IKDBXZOIUCSBEE-HOTGVXAUSA-N 1 0 324.469 0.834 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000247472514 416332959 /nfs/dbraw/zinc/33/29/59/416332959.db2.gz RUBZSNBZYFUZEW-UTUOFQBUSA-N 1 0 301.412 0.052 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)C(=O)N(C)C ZINC000253190719 416334668 /nfs/dbraw/zinc/33/46/68/416334668.db2.gz SQGRJANRAKVUSR-MELADBBJSA-N 1 0 321.425 0.549 10 0 DCAERO [NH3+]CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000237788586 416328865 /nfs/dbraw/zinc/32/88/65/416328865.db2.gz OYXRXWBSPSUQHH-HNNXBMFYSA-N 1 0 303.406 0.933 10 0 DCAERO CN1CCO[C@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000246387318 416331921 /nfs/dbraw/zinc/33/19/21/416331921.db2.gz IFDVRKGELDKLMQ-HZPDHXFCSA-N 1 0 320.437 0.919 10 0 DCAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCNC(=O)CC1 ZINC000246379924 416331977 /nfs/dbraw/zinc/33/19/77/416331977.db2.gz HLPRTDMFBXAJAF-MCIONIFRSA-N 1 0 310.442 0.884 10 0 DCAERO C[C@@H]1C[NH+](CCCNC(=O)c2cccc3ncnn32)C[C@@H](C)O1 ZINC000359835258 416362292 /nfs/dbraw/zinc/36/22/92/416362292.db2.gz QLJNMQZJDCTONS-CHWSQXEVSA-N 1 0 317.393 0.958 10 0 DCAERO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cnn4ccccc34)C2=O)n1 ZINC000360093429 416370183 /nfs/dbraw/zinc/37/01/83/416370183.db2.gz RMOOCWOBVJFOCN-CYBMUJFWSA-N 1 0 310.361 0.963 10 0 DCAERO C[NH+](C)CC1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCCC1 ZINC000458665527 416487568 /nfs/dbraw/zinc/48/75/68/416487568.db2.gz QLZJTVPSDBWQJQ-CYBMUJFWSA-N 1 0 324.429 0.060 10 0 DCAERO CN(C)c1ncc(CNC(=O)NCCNc2cc[nH+]cc2)n1C ZINC000435551094 416525180 /nfs/dbraw/zinc/52/51/80/416525180.db2.gz RMIWSCUUENZWOX-UHFFFAOYSA-N 1 0 317.397 0.214 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020960 416534622 /nfs/dbraw/zinc/53/46/22/416534622.db2.gz VAXLQZRBVWFGDO-DOMZBBRYSA-N 1 0 303.410 0.697 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CCS1(=O)=O ZINC000362054904 416551402 /nfs/dbraw/zinc/55/14/02/416551402.db2.gz DZCANQBRCSDIKN-IJLUTSLNSA-N 1 0 303.428 0.298 10 0 DCAERO Cn1ccnc1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534109911 416492924 /nfs/dbraw/zinc/49/29/24/416492924.db2.gz IWJOKBYBAJUNGD-CABCVRRESA-N 1 0 324.425 0.099 10 0 DCAERO O=C(NCCCCC[NH+]1CCCC1)N1CCN2CCOC[C@H]2C1 ZINC000458839441 416504876 /nfs/dbraw/zinc/50/48/76/416504876.db2.gz CYHBQEOOCUXHSZ-MRXNPFEDSA-N 1 0 324.469 0.979 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSC[C@H]1CCO ZINC000538186605 416565409 /nfs/dbraw/zinc/56/54/09/416565409.db2.gz UCWXELYOBINSHW-TZMCWYRMSA-N 1 0 313.467 0.980 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H]1C ZINC000365978207 416612816 /nfs/dbraw/zinc/61/28/16/416612816.db2.gz LGVOJWHTCYPLSB-AVGNSLFASA-N 1 0 306.410 0.743 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000539416251 416579322 /nfs/dbraw/zinc/57/93/22/416579322.db2.gz VRUNUUPWVANPEH-UHFFFAOYSA-N 1 0 319.471 0.602 10 0 DCAERO CNc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000367018884 416640968 /nfs/dbraw/zinc/64/09/68/416640968.db2.gz DJYIIYLWGLSWPJ-LLVKDONJSA-N 1 0 310.423 1.168 10 0 DCAERO C[N@H+](CCCO)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000440959118 416656464 /nfs/dbraw/zinc/65/64/64/416656464.db2.gz RGOKQIKAJHGENJ-UHFFFAOYSA-N 1 0 311.451 0.707 10 0 DCAERO c1[nH+]cn2cc(CNc3ccnc(N4CCOCC4)n3)ccc12 ZINC000556843678 416717968 /nfs/dbraw/zinc/71/79/68/416717968.db2.gz XKWIZARZBBUGIF-UHFFFAOYSA-N 1 0 310.361 1.573 10 0 DCAERO O=C(Cc1cccc(O)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369087325 416721652 /nfs/dbraw/zinc/72/16/52/416721652.db2.gz GWKGADNJSPESLR-HOTGVXAUSA-N 1 0 304.390 0.992 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@H]1[NH+](C)C ZINC000516598026 416729776 /nfs/dbraw/zinc/72/97/76/416729776.db2.gz PVWQFMZJBDJHPW-NGFQHRJXSA-N 1 0 323.437 0.469 10 0 DCAERO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CCO2 ZINC000558702493 416788110 /nfs/dbraw/zinc/78/81/10/416788110.db2.gz QNUQZXAVGOGBBV-JONQDZQNSA-N 1 0 315.410 0.423 10 0 DCAERO Cc1nc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)sc1C ZINC000631924590 416804617 /nfs/dbraw/zinc/80/46/17/416804617.db2.gz YXGVMWKHCIAXRE-JTQLQIEISA-N 1 0 305.425 0.168 10 0 DCAERO CO[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631952993 416830045 /nfs/dbraw/zinc/83/00/45/416830045.db2.gz ZXFMASJRFJLTEQ-CHWSQXEVSA-N 1 0 306.428 0.099 10 0 DCAERO CCOCCS(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000631964401 416835559 /nfs/dbraw/zinc/83/55/59/416835559.db2.gz CGYCTXJPXRZGDF-CQSZACIVSA-N 1 0 300.424 0.902 10 0 DCAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000631961443 416837026 /nfs/dbraw/zinc/83/70/26/416837026.db2.gz PKDJHZDQFIADEN-NSHDSACASA-N 1 0 324.468 0.097 10 0 DCAERO CCCN(C(=O)CN1CC[NH+](CC)CC1)[C@@H](C)C(=O)OCC ZINC000444625506 416853970 /nfs/dbraw/zinc/85/39/70/416853970.db2.gz OXROPABKNDZKGR-AWEZNQCLSA-N 1 0 313.442 0.814 10 0 DCAERO Cc1nn(C)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1C ZINC000446784895 416948973 /nfs/dbraw/zinc/94/89/73/416948973.db2.gz KJPNORSHOLSLGD-UHFFFAOYSA-N 1 0 316.365 0.021 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)CCc1ccccc1 ZINC000624396325 417026139 /nfs/dbraw/zinc/02/61/39/417026139.db2.gz LSQAJZWGQAEZIT-UHFFFAOYSA-N 1 0 300.424 0.727 10 0 DCAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000447347326 416993632 /nfs/dbraw/zinc/99/36/32/416993632.db2.gz KKMYSHOEVGMRRN-BFHYXJOUSA-N 1 0 302.415 0.389 10 0 DCAERO CC[C@H]1CN(CC)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632417748 417074278 /nfs/dbraw/zinc/07/42/78/417074278.db2.gz MKFHGSXJALFMLD-UONOGXRCSA-N 1 0 319.471 0.063 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccnnc2)C1 ZINC000616633910 417087636 /nfs/dbraw/zinc/08/76/36/417087636.db2.gz GOTBLIOBETXYBE-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000383289600 417091034 /nfs/dbraw/zinc/09/10/34/417091034.db2.gz KPWVPFWICBWDCF-VXGBXAGGSA-N 1 0 303.428 0.059 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000405864747 417123788 /nfs/dbraw/zinc/12/37/88/417123788.db2.gz OXUDTOXYHYQQJZ-CHWSQXEVSA-N 1 0 305.444 0.403 10 0 DCAERO CN1CCN(C(=O)c2nscc2Br)[C@H](C[NH3+])C1 ZINC000404953703 417120319 /nfs/dbraw/zinc/12/03/19/417120319.db2.gz QNKYADBARRABNM-SSDOTTSWSA-N 1 0 319.228 0.621 10 0 DCAERO CC(C)O[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000404767062 417120912 /nfs/dbraw/zinc/12/09/12/417120912.db2.gz WXMGVIOEZFIRNO-OLZOCXBDSA-N 1 0 306.428 0.194 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC[N@@H+]1C ZINC000408064174 417137528 /nfs/dbraw/zinc/13/75/28/417137528.db2.gz TXZBFEJYJHFGFR-OFQRWUPVSA-N 1 0 321.425 0.362 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](Cc2cnn(CCOC)c2)CC12COC2 ZINC000449367242 417144030 /nfs/dbraw/zinc/14/40/30/417144030.db2.gz URWHRJJGWFDVQG-CQSZACIVSA-N 1 0 323.393 0.541 10 0 DCAERO C[C@@H](NC(=O)c1ccccc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000527119467 417214278 /nfs/dbraw/zinc/21/42/78/417214278.db2.gz MQWWHMUKSYYFGR-CQSZACIVSA-N 1 0 319.405 0.643 10 0 DCAERO O=C([C@@H]1OCC[C@@H]1Cn1ccnc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000621837362 417315401 /nfs/dbraw/zinc/31/54/01/417315401.db2.gz GBQIUGJLVKIZIE-BZUAXINKSA-N 1 0 318.421 0.985 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC12COC2 ZINC000452620055 417493028 /nfs/dbraw/zinc/49/30/28/417493028.db2.gz YKXRXXSEDNJJBY-AWEZNQCLSA-N 1 0 324.421 0.756 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC12COC2 ZINC000452608193 417493044 /nfs/dbraw/zinc/49/30/44/417493044.db2.gz AGMBPPIIUKLEJK-MJBXVCDLSA-N 1 0 324.421 0.897 10 0 DCAERO CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000644110850 417474418 /nfs/dbraw/zinc/47/44/18/417474418.db2.gz OFIREFOYPWEYQT-NWDGAFQWSA-N 1 0 303.428 0.011 10 0 DCAERO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634712377 417529453 /nfs/dbraw/zinc/52/94/53/417529453.db2.gz DVCDLEBJMKGGIV-LSDHHAIUSA-N 1 0 314.470 0.989 10 0 DCAERO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000575344466 417529981 /nfs/dbraw/zinc/52/99/81/417529981.db2.gz GEWKBGYVQQTKOJ-LLVKDONJSA-N 1 0 301.350 0.341 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000532116945 417660229 /nfs/dbraw/zinc/66/02/29/417660229.db2.gz LDGKLGABWAIBDF-RYUDHWBXSA-N 1 0 309.414 0.326 10 0 DCAERO CN(Cc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000532331566 417673408 /nfs/dbraw/zinc/67/34/08/417673408.db2.gz DPAXTYSZJAUHRJ-LBPRGKRZSA-N 1 0 306.414 0.823 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000629916336 417801229 /nfs/dbraw/zinc/80/12/29/417801229.db2.gz QTSRTDXYSAZHRK-HNNXBMFYSA-N 1 0 305.378 0.466 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1nscc1Br ZINC000653138786 418035395 /nfs/dbraw/zinc/03/53/95/418035395.db2.gz JWTGDQAZLPLIQJ-IYSWYEEDSA-N 1 0 306.185 0.216 10 0 DCAERO C[C@@H]1C[C@H]1c1nnc2ccc(N3CC[NH+](CCCO)CC3)nn21 ZINC000450295085 287444222 /nfs/dbraw/zinc/44/42/22/287444222.db2.gz UWASXGBJIXZUQZ-CHWSQXEVSA-N 1 0 316.409 0.752 10 0 DCAERO C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@@H](C[NH3+])C1 ZINC000333473328 287541242 /nfs/dbraw/zinc/54/12/42/287541242.db2.gz AOXUWDJKGMADLD-UPJWGTAASA-N 1 0 308.426 0.957 10 0 DCAERO O=C(c1occc1Br)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299743192 229381672 /nfs/dbraw/zinc/38/16/72/229381672.db2.gz MLZAUGNTIFXEJZ-BDAKNGLRSA-N 1 0 301.140 0.855 10 0 DCAERO NC(=O)c1ncn([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000299739331 229372094 /nfs/dbraw/zinc/37/20/94/229372094.db2.gz NIUIJMIKABVGIA-KBPBESRZSA-N 1 0 315.377 0.748 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000183935893 261117748 /nfs/dbraw/zinc/11/77/48/261117748.db2.gz GCRPWAVXBZWLFK-UHFFFAOYSA-N 1 0 312.414 0.730 10 0 DCAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194884195 261149827 /nfs/dbraw/zinc/14/98/27/261149827.db2.gz SRIYWVUNHVDYGL-ZDUSSCGKSA-N 1 0 307.369 0.852 10 0 DCAERO CO[C@@H](C)[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358121094 261635068 /nfs/dbraw/zinc/63/50/68/261635068.db2.gz KYGAGXWLVBPGMG-OLZOCXBDSA-N 1 0 300.447 0.735 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2CCN(C)CC2)CC1 ZINC000359493183 261750031 /nfs/dbraw/zinc/75/00/31/261750031.db2.gz KHIVIOLQCDEDKH-HNNXBMFYSA-N 1 0 310.486 0.861 10 0 DCAERO Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)cc1F ZINC000396958466 262163688 /nfs/dbraw/zinc/16/36/88/262163688.db2.gz ABPMIBYQHANVDG-UHFFFAOYSA-N 1 0 302.371 0.608 10 0 DCAERO C[C@H](C(=O)N(C)CCC[NH+](C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000537215482 287864450 /nfs/dbraw/zinc/86/44/50/287864450.db2.gz HNDZVOTZAIJLQO-RDBSUJKOSA-N 1 0 323.437 0.960 10 0 DCAERO CCOC(=O)c1cn(C)nc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184013201 276445838 /nfs/dbraw/zinc/44/58/38/276445838.db2.gz AMYXOPGRVHLCIB-SNVBAGLBSA-N 1 0 309.370 0.765 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000540518513 287904246 /nfs/dbraw/zinc/90/42/46/287904246.db2.gz XURKJUFNPHOLLB-UHFFFAOYSA-N 1 0 303.362 0.693 10 0 DCAERO C[NH+](C)Cc1ccsc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000541755435 287925795 /nfs/dbraw/zinc/92/57/95/287925795.db2.gz QEBXZPMVADMOIU-CYBMUJFWSA-N 1 0 309.435 0.966 10 0 DCAERO CCN(CCCNC(=O)N(C)CCC[NH+](C)C)S(C)(=O)=O ZINC000542712530 287944918 /nfs/dbraw/zinc/94/49/18/287944918.db2.gz ULVNNDCEFAJTQX-UHFFFAOYSA-N 1 0 322.475 0.251 10 0 DCAERO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000247464298 277242012 /nfs/dbraw/zinc/24/20/12/277242012.db2.gz IRGBPLTWFMSIQN-OLZOCXBDSA-N 1 0 319.409 0.292 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000261655059 277756073 /nfs/dbraw/zinc/75/60/73/277756073.db2.gz VONDGXDYYBYMKF-VOAKCMCISA-N 1 0 305.444 0.400 10 0 DCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000333157814 278120021 /nfs/dbraw/zinc/12/00/21/278120021.db2.gz FZRNSVUCGSQEDK-GFCCVEGCSA-N 1 0 324.429 0.590 10 0 DCAERO CCC(=O)N1CC[C@@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000546566821 288018843 /nfs/dbraw/zinc/01/88/43/288018843.db2.gz RIFGAHPZZGIZDY-CQSZACIVSA-N 1 0 308.426 0.949 10 0 DCAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000247434824 278199867 /nfs/dbraw/zinc/19/98/67/278199867.db2.gz WXCXXSODAJWLOJ-CABCVRRESA-N 1 0 310.442 0.444 10 0 DCAERO C[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)C(=O)N(C)C ZINC000247937596 278236039 /nfs/dbraw/zinc/23/60/39/278236039.db2.gz CQXSGDLYQFXGJX-HEHGZKQESA-N 1 0 311.426 0.206 10 0 DCAERO C[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2C1)[C@H](C)CO ZINC000248897264 278394122 /nfs/dbraw/zinc/39/41/22/278394122.db2.gz GRQLTIHHSGVLPR-VXGBXAGGSA-N 1 0 312.435 0.696 10 0 DCAERO C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC1(O)CCOCC1 ZINC000547749243 288075327 /nfs/dbraw/zinc/07/53/27/288075327.db2.gz CTORWFFHCBFFEC-UONOGXRCSA-N 1 0 303.399 0.016 10 0 DCAERO O=C(NCC[NH+]1CCC1)NCc1cccc(N2CCOCC2)n1 ZINC000547862057 288085403 /nfs/dbraw/zinc/08/54/03/288085403.db2.gz LLLDPJPZOVPLCV-UHFFFAOYSA-N 1 0 319.409 0.423 10 0 DCAERO Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])sc1S(N)(=O)=O ZINC000261574007 279093405 /nfs/dbraw/zinc/09/34/05/279093405.db2.gz WOVLMVRYOHNERY-CBAPKCEASA-N 1 0 304.441 0.663 10 0 DCAERO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1S(N)(=O)=O ZINC000261822986 279094540 /nfs/dbraw/zinc/09/45/40/279094540.db2.gz UCYFUAHXWCUCFO-IVZWLZJFSA-N 1 0 316.452 0.663 10 0 DCAERO CCN(C(=O)NC[C@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000046280429 279142983 /nfs/dbraw/zinc/14/29/83/279142983.db2.gz UPQYNDXDRHKPPD-STQMWFEESA-N 1 0 319.471 0.935 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000175008349 279149739 /nfs/dbraw/zinc/14/97/39/279149739.db2.gz AQOOXGABKRXORB-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247258429 279309919 /nfs/dbraw/zinc/30/99/19/279309919.db2.gz ZSBZUYCXIIBFFI-HUUCEWRRSA-N 1 0 310.442 0.587 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246112944 279310586 /nfs/dbraw/zinc/31/05/86/279310586.db2.gz KDPBROLPVQAWDJ-BZUAXINKSA-N 1 0 324.469 0.833 10 0 DCAERO Cn1cc(N2CCC[C@@H](N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cn1 ZINC000246638111 279339359 /nfs/dbraw/zinc/33/93/59/279339359.db2.gz IBKKKVJVPQCZJM-DZGCQCFKSA-N 1 0 303.410 0.696 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]3COCC[C@@H]32)cn1 ZINC000261948865 279350233 /nfs/dbraw/zinc/35/02/33/279350233.db2.gz NXDMESQJJXWKMA-UKMLZYKCSA-N 1 0 318.421 0.751 10 0 DCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CCCO)CC1 ZINC000442108603 279360772 /nfs/dbraw/zinc/36/07/72/279360772.db2.gz BAJXIPUMVQUYKL-CQSZACIVSA-N 1 0 300.447 0.284 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C[C@H]1C(N)=O ZINC000408048747 288138858 /nfs/dbraw/zinc/13/88/58/288138858.db2.gz PIDVOBGQBSWNSC-SYQHCUMBSA-N 1 0 309.410 0.210 10 0 DCAERO C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C1=CC[N@H+](C)CC1 ZINC000548720276 288170640 /nfs/dbraw/zinc/17/06/40/288170640.db2.gz CGDWLVZVUYWXFJ-GUYCJALGSA-N 1 0 319.405 0.366 10 0 DCAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175114890 279989697 /nfs/dbraw/zinc/98/96/97/279989697.db2.gz UYWWSSPDPCYISW-QWHCGFSZSA-N 1 0 302.382 0.249 10 0 DCAERO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@]12CCCO2 ZINC000333677787 280047192 /nfs/dbraw/zinc/04/71/92/280047192.db2.gz OHWBPDRBQLIGBT-YCPHGPKFSA-N 1 0 311.426 0.964 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000263269458 280273809 /nfs/dbraw/zinc/27/38/09/280273809.db2.gz WHVRHIRYATVAAJ-HOCLYGCPSA-N 1 0 311.426 0.505 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247472521 288309842 /nfs/dbraw/zinc/30/98/42/288309842.db2.gz RUBZSNBZYFUZEW-WOPDTQHZSA-N 1 0 301.412 0.052 10 0 DCAERO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000559748078 288478630 /nfs/dbraw/zinc/47/86/30/288478630.db2.gz CEMWJINMVPJHIH-XPTSAGLGSA-N 1 0 305.334 0.468 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154714780 289066983 /nfs/dbraw/zinc/06/69/83/289066983.db2.gz KPJFAFAIPXZURD-LBPRGKRZSA-N 1 0 319.471 0.503 10 0 DCAERO CN(C)S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000193441997 289264019 /nfs/dbraw/zinc/26/40/19/289264019.db2.gz TVCKLQNHEZMYFG-MFKMUULPSA-N 1 0 319.377 0.806 10 0 DCAERO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408068760 289620132 /nfs/dbraw/zinc/62/01/32/289620132.db2.gz AQJFVDZHGPSLEU-RDBSUJKOSA-N 1 0 319.471 0.157 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)C(=O)N(C)C ZINC000127790060 289815447 /nfs/dbraw/zinc/81/54/47/289815447.db2.gz SQGRJANRAKVUSR-IHRRRGAJSA-N 1 0 321.425 0.549 10 0 DCAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000304865734 290156933 /nfs/dbraw/zinc/15/69/33/290156933.db2.gz DAQNLZDYZWHCGD-MJBXVCDLSA-N 1 0 304.456 0.893 10 0 DCAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263258077 302741733 /nfs/dbraw/zinc/74/17/33/302741733.db2.gz ROKGWQOGIYXTRL-BMIGLBTASA-N 1 0 323.441 0.184 10 0 DCAERO Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C ZINC000333882245 302995397 /nfs/dbraw/zinc/99/53/97/302995397.db2.gz WKTBTPHRKDKTEG-KGLIPLIRSA-N 1 0 320.441 0.560 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000262355243 303798097 /nfs/dbraw/zinc/79/80/97/303798097.db2.gz UTGXCEVZRKJORG-XQLPTFJDSA-N 1 0 323.437 0.112 10 0 DCAERO Cn1cc(Br)c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000393663040 337093505 /nfs/dbraw/zinc/09/35/05/337093505.db2.gz LDHHBRFAPZDHIR-MRVPVSSYSA-N 1 0 301.188 0.751 10 0 DCAERO COCC(C)(C)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171203855 341773713 /nfs/dbraw/zinc/77/37/13/341773713.db2.gz IUBCZXHEDAAFLY-LLVKDONJSA-N 1 0 306.362 0.658 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246167591 520692265 /nfs/dbraw/zinc/69/22/65/520692265.db2.gz MIMWLWLXKCNKBX-RYUDHWBXSA-N 1 0 306.428 0.684 10 0 DCAERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)n1 ZINC000275728671 534196540 /nfs/dbraw/zinc/19/65/40/534196540.db2.gz ZQHJXNVXPDWVIT-NSHDSACASA-N 1 0 315.377 0.743 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C1 ZINC000246567606 519862838 /nfs/dbraw/zinc/86/28/38/519862838.db2.gz RQCYAXWMOHTKAN-JHJVBQTASA-N 1 0 312.414 0.003 10 0 DCAERO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H](C)[NH3+] ZINC000157128077 520361427 /nfs/dbraw/zinc/36/14/27/520361427.db2.gz BYVLAXLNVUPAOJ-SNVBAGLBSA-N 1 0 306.366 0.779 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000153895278 520522098 /nfs/dbraw/zinc/52/20/98/520522098.db2.gz GAGFVKGHINZYEO-GFCCVEGCSA-N 1 0 319.471 0.695 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000119202085 520622362 /nfs/dbraw/zinc/62/23/62/520622362.db2.gz RJCUALSFDLVORU-STQMWFEESA-N 1 0 307.460 0.662 10 0 DCAERO CC1CC[NH+](CCNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000368898483 521010180 /nfs/dbraw/zinc/01/01/80/521010180.db2.gz ZAOPCRIZADNCMM-HNNXBMFYSA-N 1 0 310.442 0.444 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000247501512 521644603 /nfs/dbraw/zinc/64/46/03/521644603.db2.gz NTBQUXMMPCSCIC-LSDHHAIUSA-N 1 0 321.425 0.778 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154562825 521741508 /nfs/dbraw/zinc/74/15/08/521741508.db2.gz HNBHLBKGYJGGDM-DGCLKSJQSA-N 1 0 307.398 0.890 10 0 DCAERO C[NH+](C)CCOc1ccc(CNC(=O)N2CC(CO)C2)cc1 ZINC000190901652 521797629 /nfs/dbraw/zinc/79/76/29/521797629.db2.gz BMAQENOLHIEZOQ-UHFFFAOYSA-N 1 0 307.394 0.761 10 0 DCAERO CNC(=O)c1ccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nn1 ZINC000266838201 521829845 /nfs/dbraw/zinc/82/98/45/521829845.db2.gz KRGTXSIHRUPTHT-GFCCVEGCSA-N 1 0 321.425 0.365 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC000124601228 522100656 /nfs/dbraw/zinc/10/06/56/522100656.db2.gz HOCHHCJDUQDHJE-KBPBESRZSA-N 1 0 304.394 0.800 10 0 DCAERO C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)CC1(CO)CC1 ZINC000190018967 522483452 /nfs/dbraw/zinc/48/34/52/522483452.db2.gz UOJKZNYUVSMCIG-UHFFFAOYSA-N 1 0 306.362 0.736 10 0 DCAERO COCCCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000237193590 523194837 /nfs/dbraw/zinc/19/48/37/523194837.db2.gz WZTXIOHSDZLQDD-FRRDWIJNSA-N 1 0 318.439 0.166 10 0 DCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266233881 523844030 /nfs/dbraw/zinc/84/40/30/523844030.db2.gz UCJDOKWZXLAHGV-MFKMUULPSA-N 1 0 305.382 0.309 10 0 DCAERO CN1CCO[C@@H](C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246581181 523940633 /nfs/dbraw/zinc/94/06/33/523940633.db2.gz NLSCEEFGCPQWAO-JSGCOSHPSA-N 1 0 307.369 0.851 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)Cn2nc3ccccn3c2=O)CC[N@@H+]1C ZINC000123845695 524899354 /nfs/dbraw/zinc/89/93/54/524899354.db2.gz BETNCKZBQPWQNZ-QWHCGFSZSA-N 1 0 317.393 0.437 10 0 DCAERO C[C@](O)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCCCC1 ZINC000365144674 525175345 /nfs/dbraw/zinc/17/53/45/525175345.db2.gz GDYUWPTZNICKCJ-RDJZCZTQSA-N 1 0 309.454 0.824 10 0 DCAERO CS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000264693235 525255227 /nfs/dbraw/zinc/25/52/27/525255227.db2.gz FGBCIICKVXRIRY-GFCCVEGCSA-N 1 0 324.406 0.797 10 0 DCAERO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)sc2nccn12 ZINC000271044560 525612922 /nfs/dbraw/zinc/61/29/22/525612922.db2.gz GKFWNHSBLSJQHQ-UHFFFAOYSA-N 1 0 307.423 0.681 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000249157423 525868886 /nfs/dbraw/zinc/86/88/86/525868886.db2.gz XKXMQEFKGWHOOQ-OLZOCXBDSA-N 1 0 307.394 0.546 10 0 DCAERO Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CCO2)n[nH]1 ZINC000246275860 526535165 /nfs/dbraw/zinc/53/51/65/526535165.db2.gz MECJFFVMPZYSBF-RFGFWPKPSA-N 1 0 319.409 0.934 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154729305 527175749 /nfs/dbraw/zinc/17/57/49/527175749.db2.gz VZFBNPWIHNGFTF-DGCLKSJQSA-N 1 0 304.394 0.680 10 0 DCAERO [NH3+]C[C@H]1CN(C(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000364198384 527241053 /nfs/dbraw/zinc/24/10/53/527241053.db2.gz ZFJDJFMWURHDEG-ZDUSSCGKSA-N 1 0 306.362 0.577 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCCC[C@@H]2O)cn1 ZINC000262103714 527321595 /nfs/dbraw/zinc/32/15/95/527321595.db2.gz DWGIBTUSJJSDKN-RZFFKMDDSA-N 1 0 306.410 0.390 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1 ZINC000328628940 528229238 /nfs/dbraw/zinc/22/92/38/528229238.db2.gz OFIBWJWZXDUTSP-UHFFFAOYSA-N 1 0 304.394 0.397 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C(N)=O)c3)[C@H]2C1 ZINC000285652295 536479843 /nfs/dbraw/zinc/47/98/43/536479843.db2.gz GADYRFDFINRCRI-UONOGXRCSA-N 1 0 303.362 0.331 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307330 545657754 /nfs/dbraw/zinc/65/77/54/545657754.db2.gz NYAUVIIRVDJTAH-GFCCVEGCSA-N 1 0 311.407 0.803 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154432705 545837543 /nfs/dbraw/zinc/83/75/43/545837543.db2.gz XZYSCKQNEHHWCK-GFCCVEGCSA-N 1 0 321.429 0.300 10 0 DCAERO O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697732 545891787 /nfs/dbraw/zinc/89/17/87/545891787.db2.gz GKVVNJJNMYBGIH-CYBMUJFWSA-N 1 0 315.377 0.599 10 0 DCAERO CCOc1cnc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)cn1 ZINC000189915778 545922520 /nfs/dbraw/zinc/92/25/20/545922520.db2.gz HZTMANDWWUXFCO-OLZOCXBDSA-N 1 0 322.409 0.793 10 0 DCAERO CC(=O)N[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)C(C)C ZINC000236782553 545951899 /nfs/dbraw/zinc/95/18/99/545951899.db2.gz ONJXMDWAPZFKFY-HNNXBMFYSA-N 1 0 306.410 0.838 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Br)cs1 ZINC000262314924 545983530 /nfs/dbraw/zinc/98/35/30/545983530.db2.gz QTVZPRRTLYEOBP-XPUUQOCRSA-N 1 0 305.197 0.821 10 0 DCAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)NS(C)(=O)=O ZINC000250373062 545973050 /nfs/dbraw/zinc/97/30/50/545973050.db2.gz WPLHRQHMISNION-UTUOFQBUSA-N 1 0 317.455 0.351 10 0 DCAERO C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@H]1[NH+](C)C ZINC000251774427 545974232 /nfs/dbraw/zinc/97/42/32/545974232.db2.gz MOJDYKDTOGOSLQ-JOYOIKCWSA-N 1 0 301.387 0.979 10 0 DCAERO CNC(=O)CCOC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261781604 545976742 /nfs/dbraw/zinc/97/67/42/545976742.db2.gz PJJXGJYMERWNME-GXTWGEPZSA-N 1 0 311.426 0.648 10 0 DCAERO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261899025 545977990 /nfs/dbraw/zinc/97/79/90/545977990.db2.gz ADVLVXQQVFWWJT-OCCSQVGLSA-N 1 0 317.393 0.631 10 0 DCAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262074139 545978804 /nfs/dbraw/zinc/97/88/04/545978804.db2.gz BXFYQGIOGNYUAJ-UWVGGRQHSA-N 1 0 308.382 0.098 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Oc2cnccn2)c1 ZINC000262099958 545979163 /nfs/dbraw/zinc/97/91/63/545979163.db2.gz DPKWISPKLBLIGL-OCCSQVGLSA-N 1 0 314.345 0.579 10 0 DCAERO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262213995 545980932 /nfs/dbraw/zinc/98/09/32/545980932.db2.gz IYSQATGNKNQYFL-ZYHUDNBSSA-N 1 0 302.296 0.944 10 0 DCAERO O=C(COc1ccc2ccccc2c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262325274 545983480 /nfs/dbraw/zinc/98/34/80/545983480.db2.gz RTIPNXHVRWZBJT-ZBFHGGJFSA-N 1 0 300.358 0.915 10 0 DCAERO COc1ccc2cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c(C)nc2c1 ZINC000262346680 545984261 /nfs/dbraw/zinc/98/42/61/545984261.db2.gz UEOVKXDHVOWFNY-BLLLJJGKSA-N 1 0 315.373 0.862 10 0 DCAERO O=C(CSc1ccc(F)c(F)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262357750 545984542 /nfs/dbraw/zinc/98/45/42/545984542.db2.gz UWIGCCXCCLYMPC-QPUJVOFHSA-N 1 0 302.346 0.753 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1Br ZINC000262359209 545984609 /nfs/dbraw/zinc/98/46/09/545984609.db2.gz VAAAFGGIGDHOOT-RDDDGLTNSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(CCN1C(=O)CCc2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262355218 545984642 /nfs/dbraw/zinc/98/46/42/545984642.db2.gz UTELTLXHQAGMKC-ZFWWWQNUSA-N 1 0 317.389 0.052 10 0 DCAERO Cc1ccccc1C1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCOCC1 ZINC000262405391 545985291 /nfs/dbraw/zinc/98/52/91/545985291.db2.gz YWBIBTCJLTZYBS-GDBMZVCRSA-N 1 0 318.417 0.740 10 0 DCAERO CN(C(=O)NCc1nc(C(C)(C)C)cs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333164889 546073333 /nfs/dbraw/zinc/07/33/33/546073333.db2.gz HCQPGKFQWZVCPX-UWVGGRQHSA-N 1 0 312.439 0.915 10 0 DCAERO O=C(NCCN1CC[NH2+]CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333470507 546082517 /nfs/dbraw/zinc/08/25/17/546082517.db2.gz ARUQUCXKIDTXQC-HOCLYGCPSA-N 1 0 310.442 0.228 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000333739701 546090727 /nfs/dbraw/zinc/09/07/27/546090727.db2.gz XKHXAJSJJWNXKU-GFCCVEGCSA-N 1 0 300.428 0.960 10 0 DCAERO CS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000401711321 546224781 /nfs/dbraw/zinc/22/47/81/546224781.db2.gz IFUXZDQOZRKMAX-VIFPVBQESA-N 1 0 310.297 0.710 10 0 DCAERO CC(C)(C)OC(=O)N1CCN[C@@H](c2cnnn2C2C[NH2+]C2)C1 ZINC000685952019 548748919 /nfs/dbraw/zinc/74/89/19/548748919.db2.gz PDDWHOXTBKKDHL-LLVKDONJSA-N 1 0 308.386 0.304 10 0 DCAERO COC1(CC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)CCC1 ZINC000888094519 661160015 /nfs/dbraw/zinc/16/00/15/661160015.db2.gz YJWABAXRHRULHJ-OLZOCXBDSA-N 1 0 307.398 0.551 10 0 DCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000237932294 665417128 /nfs/dbraw/zinc/41/71/28/665417128.db2.gz UNZVDUIVAVFRMM-NEPJUHHUSA-N 1 0 311.407 0.209 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@H]1C ZINC000892357114 657730026 /nfs/dbraw/zinc/73/00/26/657730026.db2.gz XUKIIIAFIPGWSM-KGLIPLIRSA-N 1 0 316.409 0.613 10 0 DCAERO [NH3+]C1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCOCC1 ZINC000261808059 658378024 /nfs/dbraw/zinc/37/80/24/658378024.db2.gz VINZSXQLRUVOLO-UHFFFAOYSA-N 1 0 317.389 0.938 10 0 DCAERO CC[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000247058677 658604080 /nfs/dbraw/zinc/60/40/80/658604080.db2.gz FVEODLGBNNMZQK-SOUVJXGZSA-N 1 0 313.442 0.011 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2nnn(C)c2C)C1 ZINC000888078877 658727950 /nfs/dbraw/zinc/72/79/50/658727950.db2.gz FKKARYGLEKSVEY-UPJWGTAASA-N 1 0 307.398 0.495 10 0 DCAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093697339 658860974 /nfs/dbraw/zinc/86/09/74/658860974.db2.gz DSBDOOUGOGSBEN-UONOGXRCSA-N 1 0 302.440 0.959 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723663899 658896892 /nfs/dbraw/zinc/89/68/92/658896892.db2.gz GZLIIMICRRXQIL-RQJABVFESA-N 1 0 302.440 0.815 10 0 DCAERO CN(CC(=O)NC(C)(C)C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000722222060 659382878 /nfs/dbraw/zinc/38/28/78/659382878.db2.gz UQCMQNQOVOBDJC-UHFFFAOYSA-N 1 0 305.444 0.162 10 0 DCAERO CCn1cc(NC(=S)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000726123629 661651962 /nfs/dbraw/zinc/65/19/62/661651962.db2.gz POBVHNPTSAKFSO-UHFFFAOYSA-N 1 0 310.471 0.779 10 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/nfs/dbraw/zinc/61/53/43/663615343.db2.gz RZHNIJWGHAXCOG-JTQLQIEISA-N 1 0 311.345 0.997 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349057669 664355152 /nfs/dbraw/zinc/35/51/52/664355152.db2.gz RNRRYMPLASHRHQ-SMDDNHRTSA-N 1 0 320.418 0.758 10 0 DCAERO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000163696628 664355691 /nfs/dbraw/zinc/35/56/91/664355691.db2.gz CICYTFRMJQXNMQ-MGNBDDOMSA-N 1 0 304.437 0.753 10 0 DCAERO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000167899506 664511684 /nfs/dbraw/zinc/51/16/84/664511684.db2.gz FBCIAGNIQVJWQJ-DOMZBBRYSA-N 1 0 307.373 0.605 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000226799930 664522089 /nfs/dbraw/zinc/52/20/89/664522089.db2.gz KNJSYBBDVCWDCR-LBPRGKRZSA-N 1 0 305.444 0.416 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2nc(-c3cccs3)oc2=O)CCO1 ZINC000153006846 664787186 /nfs/dbraw/zinc/78/71/86/664787186.db2.gz INSLSMRPEPTQSR-LLVKDONJSA-N 1 0 324.406 0.785 10 0 DCAERO CCN1CCO[C@@H](C[NH2+]Cc2cncnc2)[C@@H]1c1cnn(C)c1 ZINC000850365052 665072903 /nfs/dbraw/zinc/07/29/03/665072903.db2.gz FQRRQZKWZMDNFM-HOTGVXAUSA-N 1 0 316.409 0.762 10 0 DCAERO CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000233822359 665329417 /nfs/dbraw/zinc/32/94/17/665329417.db2.gz YLHOFVHFFXKXBH-CYBMUJFWSA-N 1 0 301.408 0.759 10 0 DCAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000071312859 666045882 /nfs/dbraw/zinc/04/58/82/666045882.db2.gz HTAVOGPMZKEWTN-LBPRGKRZSA-N 1 0 311.407 0.419 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CO1 ZINC000702850308 667010503 /nfs/dbraw/zinc/01/05/03/667010503.db2.gz YMKRLSTULWCVJP-NDBYEHHHSA-N 1 0 300.399 0.981 10 0 DCAERO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1 ZINC000702846689 667011084 /nfs/dbraw/zinc/01/10/84/667011084.db2.gz RMZLYTYPVIGKDD-PWSUYJOCSA-N 1 0 311.386 0.133 10 0 DCAERO CCN1C(=O)CO[C@@H](C[NH2+]Cc2cc[nH]n2)[C@@H]1c1nccn1C ZINC000886074626 667728895 /nfs/dbraw/zinc/72/88/95/667728895.db2.gz IAWIJJMPQVQBRN-GXTWGEPZSA-N 1 0 318.381 0.221 10 0 DCAERO CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC000886082445 667730185 /nfs/dbraw/zinc/73/01/85/667730185.db2.gz BLATWZLZHWYBCY-ZNMIVQPWSA-N 1 0 311.426 0.077 10 0 DCAERO C[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cn[nH]n3)C2)ccn1 ZINC000886095121 667731743 /nfs/dbraw/zinc/73/17/43/667731743.db2.gz LWLVLVNAFVTLMR-ZDUSSCGKSA-N 1 0 316.365 0.555 10 0 DCAERO COCC1(CNS(=O)(=O)c2ccns2)CC[NH2+]CC1 ZINC000717805581 667986667 /nfs/dbraw/zinc/98/66/67/667986667.db2.gz RXFPCLLOKLRLJS-UHFFFAOYSA-N 1 0 305.425 0.438 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717080015 668408425 /nfs/dbraw/zinc/40/84/25/668408425.db2.gz JEENEUFRSFJJDQ-HTQZYQBOSA-N 1 0 312.317 0.618 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)CCO1 ZINC000188385724 670007632 /nfs/dbraw/zinc/00/76/32/670007632.db2.gz CBJCWTMTHHUBKM-LBPRGKRZSA-N 1 0 306.410 0.620 10 0 DCAERO COC(=O)N[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000078567042 670079165 /nfs/dbraw/zinc/07/91/65/670079165.db2.gz TUJZZWBGQPUTCF-GFCCVEGCSA-N 1 0 311.386 0.764 10 0 DCAERO CN(CCn1cnnn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000712612806 670149390 /nfs/dbraw/zinc/14/93/90/670149390.db2.gz JBNSAZZEASMMAF-MRXNPFEDSA-N 1 0 316.409 0.242 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242899 670182153 /nfs/dbraw/zinc/18/21/53/670182153.db2.gz JOIMZVIEDHTDHV-YNEHKIRRSA-N 1 0 302.415 0.965 10 0 DCAERO C[C@]1(C(=O)NCc2ncc(Br)s2)C[NH2+]CCO1 ZINC000714942532 670197599 /nfs/dbraw/zinc/19/75/99/670197599.db2.gz FSFXBARWSZKBNS-SNVBAGLBSA-N 1 0 320.212 0.900 10 0 DCAERO [NH3+]CCCN(CCN1CCCS1(=O)=O)CC(F)(F)F ZINC000714369172 670185627 /nfs/dbraw/zinc/18/56/27/670185627.db2.gz TVQARMBBFAFDJK-UHFFFAOYSA-N 1 0 303.350 0.235 10 0 DCAERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1CCO ZINC000189996247 670187746 /nfs/dbraw/zinc/18/77/46/670187746.db2.gz VIKQIZYDSLXIQI-JTQLQIEISA-N 1 0 308.338 0.316 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)NCC1CC([NH3+])C1 ZINC000715114820 670203555 /nfs/dbraw/zinc/20/35/55/670203555.db2.gz YMSZOBYEUHMWIV-UHFFFAOYSA-N 1 0 304.393 0.550 10 0 DCAERO CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2)S(C)(=O)=O ZINC000715366089 670210875 /nfs/dbraw/zinc/21/08/75/670210875.db2.gz JMHKYAYXCRJKPN-BXUZGUMPSA-N 1 0 302.440 0.706 10 0 DCAERO CCCn1cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)nn1 ZINC000715956459 670226156 /nfs/dbraw/zinc/22/61/56/670226156.db2.gz FMBNUGVEUGUWFZ-LLVKDONJSA-N 1 0 303.432 0.620 10 0 DCAERO [NH3+][C@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1C(F)(F)F ZINC000717035953 670947343 /nfs/dbraw/zinc/94/73/43/670947343.db2.gz QACSWSPKZHWBMW-UWVGGRQHSA-N 1 0 315.361 0.233 10 0 DCAERO CN(C)S(=O)(=O)CCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717007002 672083960 /nfs/dbraw/zinc/08/39/60/672083960.db2.gz BPBXRMMCJCJKOB-VHSXEESVSA-N 1 0 317.377 0.479 10 0 DCAERO C[C@H](CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)CS(C)(=O)=O ZINC000717012698 672109890 /nfs/dbraw/zinc/10/98/90/672109890.db2.gz ODFJGSLEJDUFKF-BBBLOLIVSA-N 1 0 302.362 0.879 10 0 DCAERO CC(C)OCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720811972 685315350 /nfs/dbraw/zinc/31/53/50/685315350.db2.gz RWNAHHUKVZOGGP-ZJUUUORDSA-N 1 0 318.361 0.810 10 0 DCAERO C[C@H]1[C@@H](NC(=O)c2c(Br)nnn2C)CC[N@@H+]1C ZINC000719386056 685310123 /nfs/dbraw/zinc/31/01/23/685310123.db2.gz RJFUABJAQPMWIP-BQBZGAKWSA-N 1 0 302.176 0.400 10 0 DCAERO CCOCCS(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720164094 685312395 /nfs/dbraw/zinc/31/23/95/685312395.db2.gz JNKMSYQTTMNEMO-LBPRGKRZSA-N 1 0 306.428 0.101 10 0 DCAERO CO[C@@]1(C[NH2+]C[C@](C)(O)C(F)(F)F)CCS(=O)(=O)C1 ZINC000720902163 685317440 /nfs/dbraw/zinc/31/74/40/685317440.db2.gz BTDZLRVOFHXLAG-DTWKUNHWSA-N 1 0 305.318 0.093 10 0 DCAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000052792520 685060812 /nfs/dbraw/zinc/06/08/12/685060812.db2.gz CCTKYULTYYCQEP-ZJUUUORDSA-N 1 0 300.380 0.832 10 0 DCAERO COC(=O)c1cn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000246252024 685163189 /nfs/dbraw/zinc/16/31/89/685163189.db2.gz FMUUDCQSFAYPHW-SWLSCSKDSA-N 1 0 319.409 0.971 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@@H]1C ZINC000248396195 685174894 /nfs/dbraw/zinc/17/48/94/685174894.db2.gz JZOWYYZKEFVRQD-STQMWFEESA-N 1 0 309.414 0.059 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249153410 685178671 /nfs/dbraw/zinc/17/86/71/685178671.db2.gz HTXDQMMKNDSUOA-OCCSQVGLSA-N 1 0 319.409 0.927 10 0 DCAERO O=S(=O)(CC[NH2+][C@@H]1CC2CCC1CC2)N1CCOCC1 ZINC000380751703 685237567 /nfs/dbraw/zinc/23/75/67/685237567.db2.gz MVYBSJYPJKUCAH-JXQTWKCFSA-N 1 0 302.440 0.817 10 0 DCAERO CS(=O)(=O)NCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000380671548 685238120 /nfs/dbraw/zinc/23/81/20/685238120.db2.gz BMAHEMKUFIFKSK-UHFFFAOYSA-N 1 0 311.205 0.201 10 0 DCAERO O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250887143 1157780514 /nfs/dbraw/zinc/78/05/14/1157780514.db2.gz WRDBNWFGJLFGDC-BNOWGMLFSA-N 1 0 314.451 0.991 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000077328194 1174111011 /nfs/dbraw/zinc/11/10/11/1174111011.db2.gz PBFGRLNOQZYYQP-UHFFFAOYSA-N 1 0 319.405 0.712 10 0 DCAERO Cn1nccc1C[NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000171384038 1183728563 /nfs/dbraw/zinc/72/85/63/1183728563.db2.gz VNEMITIDFIEDJS-MRXNPFEDSA-N 1 0 313.361 0.765 10 0 DCAERO C[NH+](C)[C@@]1(CNS(=O)(=O)NC2CCCC2)CCSC1 ZINC000329664614 282230605 /nfs/dbraw/zinc/23/06/05/282230605.db2.gz KAGXJMJMDKHPKR-GFCCVEGCSA-N 1 0 307.485 0.790 10 0 DCAERO C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@H]1COc2ccccc2O1 ZINC000171883162 529959627 /nfs/dbraw/zinc/95/96/27/529959627.db2.gz XBJGKSUBUJSWMM-KBPBESRZSA-N 1 0 320.389 0.742 10 0 DCAERO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000262706808 295785352 /nfs/dbraw/zinc/78/53/52/295785352.db2.gz BSHCGTAZZMDVEV-GRYCIOLGSA-N 1 0 322.409 0.354 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170859347 197838571 /nfs/dbraw/zinc/83/85/71/197838571.db2.gz AMVWYQAKJCVWBO-LBPRGKRZSA-N 1 0 311.407 0.371 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171940448 198011359 /nfs/dbraw/zinc/01/13/59/198011359.db2.gz PQDFKTBQCOICLO-JKSUJKDBSA-N 1 0 314.389 0.981 10 0 DCAERO O=C(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CCCCC1 ZINC000173867165 198262394 /nfs/dbraw/zinc/26/23/94/198262394.db2.gz GWCIAEQPGQHETN-AWEZNQCLSA-N 1 0 306.410 0.655 10 0 DCAERO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000236819256 202024767 /nfs/dbraw/zinc/02/47/67/202024767.db2.gz QANCDAJAIFDIPN-KBPBESRZSA-N 1 0 305.378 0.830 10 0 DCAERO CCCC[C@@H](C[NH3+])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000236830521 202029233 /nfs/dbraw/zinc/02/92/33/202029233.db2.gz HQJWSGNWZVJBQK-NSHDSACASA-N 1 0 318.377 0.324 10 0 DCAERO CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180753680 199204775 /nfs/dbraw/zinc/20/47/75/199204775.db2.gz RXRAHHBLCQMDRO-LBPRGKRZSA-N 1 0 319.409 0.883 10 0 DCAERO OCC[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCc2ccccc21 ZINC000178391818 237226834 /nfs/dbraw/zinc/22/68/34/237226834.db2.gz XTRSITZOAAXCIB-AEFFLSMTSA-N 1 0 320.433 0.661 10 0 DCAERO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000188497837 200256109 /nfs/dbraw/zinc/25/61/09/200256109.db2.gz LEXDYZOSUXSHAE-WDEREUQCSA-N 1 0 313.423 0.851 10 0 DCAERO CC[C@H]1CN(CC(=O)N2CCNC2=O)CCN1CC(F)F ZINC000153664143 291207511 /nfs/dbraw/zinc/20/75/11/291207511.db2.gz XNFLAITWUDRXPS-JTQLQIEISA-N 1 0 304.341 0.200 10 0 DCAERO Cc1cc(C)n2c(CN3CC[NH+](C[C@@H](C)O)CC3)cnc2n1 ZINC000188721281 200294687 /nfs/dbraw/zinc/29/46/87/200294687.db2.gz FDWZIZAVEXFGQK-CQSZACIVSA-N 1 0 303.410 0.845 10 0 DCAERO CN(C)c1ncccc1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188721016 200294845 /nfs/dbraw/zinc/29/48/45/200294845.db2.gz NJVBAYFFMCPLRD-UHFFFAOYSA-N 1 0 300.366 0.446 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)C1=O ZINC000155180923 291218274 /nfs/dbraw/zinc/21/82/74/291218274.db2.gz NHLIHMVFOPIWMU-RYUDHWBXSA-N 1 0 324.425 0.648 10 0 DCAERO [NH3+][C@@H](CNC(=O)Cc1csc(-c2cnccn2)n1)C1CC1 ZINC000261929224 283548421 /nfs/dbraw/zinc/54/84/21/283548421.db2.gz KUPKCXPZZUWHGB-NSHDSACASA-N 1 0 303.391 0.996 10 0 DCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246707269 238160575 /nfs/dbraw/zinc/16/05/75/238160575.db2.gz NOMDOSDJJXUPHJ-UKRRQHHQSA-N 1 0 305.378 0.518 10 0 DCAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000566114425 291271239 /nfs/dbraw/zinc/27/12/39/291271239.db2.gz AGVCRPPTUJNQME-CABCVRRESA-N 1 0 320.389 0.839 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546852 193071218 /nfs/dbraw/zinc/07/12/18/193071218.db2.gz NBRBCSOVMMYGOY-MNOVXSKESA-N 1 0 303.428 0.044 10 0 DCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000091667043 193088064 /nfs/dbraw/zinc/08/80/64/193088064.db2.gz UPWLBXDMSDKDRN-YPMHNXCESA-N 1 0 313.423 0.315 10 0 DCAERO COc1ccc(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007435763 181466283 /nfs/dbraw/zinc/46/62/83/181466283.db2.gz XFSWKJALFXMDRS-UHFFFAOYSA-N 1 0 305.378 0.509 10 0 DCAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000238031451 284592644 /nfs/dbraw/zinc/59/26/44/284592644.db2.gz WNCGBJXIGAMVST-DLBZAZTESA-N 1 0 315.417 0.634 10 0 DCAERO Cc1ncc(CN(C)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)s1 ZINC000037816163 182928559 /nfs/dbraw/zinc/92/85/59/182928559.db2.gz CTMNSHGYABLYKW-JTQLQIEISA-N 1 0 305.425 0.172 10 0 DCAERO O=C(CCC[NH2+][C@@H]1CCS(=O)(=O)C1)OCC(F)(F)F ZINC000040174137 183043521 /nfs/dbraw/zinc/04/35/21/183043521.db2.gz YXUYKSKQPQDXCG-MRVPVSSYSA-N 1 0 303.302 0.649 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529092 183418731 /nfs/dbraw/zinc/41/87/31/183418731.db2.gz IXARBVCGRHRUGS-NSHDSACASA-N 1 0 311.407 0.406 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccccc2F)C[C@@H]1C ZINC000105822592 194139035 /nfs/dbraw/zinc/13/90/35/194139035.db2.gz HXLFALDGGLACRS-UONOGXRCSA-N 1 0 323.412 0.829 10 0 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ZINC000195190852 395820656 /nfs/dbraw/zinc/82/06/56/395820656.db2.gz QRXWDUBEMYLAMK-LSDHHAIUSA-N 1 0 305.422 0.942 10 0 DCAERO C[NH+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000113456415 395830918 /nfs/dbraw/zinc/83/09/18/395830918.db2.gz YYMDHZRSZAMCGM-GFCCVEGCSA-N 1 0 302.378 0.740 10 0 DCAERO Cn1nccc1C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000195512708 395830923 /nfs/dbraw/zinc/83/09/23/395830923.db2.gz VDCQBCVFDDZPJD-HNNXBMFYSA-N 1 0 308.426 0.293 10 0 DCAERO COc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118106947 395859887 /nfs/dbraw/zinc/85/98/87/395859887.db2.gz LNMZPQHNAJLGMY-NSHDSACASA-N 1 0 309.341 0.983 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311266 395843179 /nfs/dbraw/zinc/84/31/79/395843179.db2.gz ABZKTMYELIGITF-ZDUSSCGKSA-N 1 0 322.409 0.669 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 ZINC000116783043 395845381 /nfs/dbraw/zinc/84/53/81/395845381.db2.gz PTHPFXGSMAGHTJ-CYBMUJFWSA-N 1 0 306.362 0.747 10 0 DCAERO 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/nfs/dbraw/zinc/96/90/98/395969098.db2.gz NTNLKPZWPNGRJN-ZNMIVQPWSA-N 1 0 315.458 0.305 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCOCC1 ZINC000247301232 395971471 /nfs/dbraw/zinc/97/14/71/395971471.db2.gz UTFWBQKLLXNPSI-OWCLPIDISA-N 1 0 324.469 0.833 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000247348713 395972176 /nfs/dbraw/zinc/97/21/76/395972176.db2.gz XZXFQROYAMGKIS-KFWWJZLASA-N 1 0 310.442 0.443 10 0 DCAERO C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247542423 395975809 /nfs/dbraw/zinc/97/58/09/395975809.db2.gz RAELONGNDZZVIF-NFAWXSAZSA-N 1 0 306.410 0.972 10 0 DCAERO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247690944 395977965 /nfs/dbraw/zinc/97/79/65/395977965.db2.gz VXZSZYYIEJXKMK-HUUCEWRRSA-N 1 0 320.389 0.864 10 0 DCAERO COCCCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151108914 395979450 /nfs/dbraw/zinc/97/94/50/395979450.db2.gz JCDSIVVUTMNPSQ-CQSZACIVSA-N 1 0 306.410 0.968 10 0 DCAERO 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ZINC000261651525 396052488 /nfs/dbraw/zinc/05/24/88/396052488.db2.gz AAJLOQBQURISNX-CQSZACIVSA-N 1 0 305.426 0.815 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)[C@@H]([NH3+])C3CCOCC3)C2)cn1 ZINC000261784938 396065851 /nfs/dbraw/zinc/06/58/51/396065851.db2.gz NFSRXTBNMWWKIQ-ZFWWWQNUSA-N 1 0 321.425 0.259 10 0 DCAERO [NH3+][C@H](C(=O)N1CCC(Cn2cccn2)CC1)C1CCOCC1 ZINC000261791842 396066479 /nfs/dbraw/zinc/06/64/79/396066479.db2.gz GPLMNJDHIIJLGR-HNNXBMFYSA-N 1 0 306.410 0.876 10 0 DCAERO [NH3+]C1(C(=O)Nc2ccc(CN3CCOCC3)cc2)CCOCC1 ZINC000261790925 396066680 /nfs/dbraw/zinc/06/66/80/396066680.db2.gz SYVZTWASESFTQC-UHFFFAOYSA-N 1 0 319.405 0.965 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000249134431 396003294 /nfs/dbraw/zinc/00/32/94/396003294.db2.gz DMYJJQBHIVDCCN-RYUDHWBXSA-N 1 0 305.382 0.444 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000249307777 396006239 /nfs/dbraw/zinc/00/62/39/396006239.db2.gz ULHFTZFPGBZFKW-OLZOCXBDSA-N 1 0 319.409 0.962 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000069144197 396070954 /nfs/dbraw/zinc/07/09/54/396070954.db2.gz UPRBQCUVFLIKRB-NEPJUHHUSA-N 1 0 303.380 0.324 10 0 DCAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000164742775 396087262 /nfs/dbraw/zinc/08/72/62/396087262.db2.gz BRQNPZDAMICCHS-GHMZBOCLSA-N 1 0 312.391 0.877 10 0 DCAERO CNC(=O)c1cccc(CCNC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000262015516 396089908 /nfs/dbraw/zinc/08/99/08/396089908.db2.gz OLDWMLRDRSOXMD-OAHLLOKOSA-N 1 0 319.405 0.459 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CCOCC1 ZINC000262015535 396090015 /nfs/dbraw/zinc/09/00/15/396090015.db2.gz OLSPRCBUWGUTHG-CZUORRHYSA-N 1 0 323.437 0.790 10 0 DCAERO CN(C)S(=O)(=O)Nc1cccnc1OC1CC[NH+](C)CC1 ZINC000169749341 396090883 /nfs/dbraw/zinc/09/08/83/396090883.db2.gz YPVDBAAUCOUMPZ-UHFFFAOYSA-N 1 0 314.411 0.773 10 0 DCAERO C[NH+](C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cnco1 ZINC000169791068 396093367 /nfs/dbraw/zinc/09/33/67/396093367.db2.gz NOSYLBOGOSPJQA-CHWSQXEVSA-N 1 0 315.377 0.866 10 0 DCAERO CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262445202 396141336 /nfs/dbraw/zinc/14/13/36/396141336.db2.gz CQINLTQRJNWKLA-XQQFMLRXSA-N 1 0 318.439 0.085 10 0 DCAERO CCOCC(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169790903 396093570 /nfs/dbraw/zinc/09/35/70/396093570.db2.gz DIQKIZODCKDWBM-UKRRQHHQSA-N 1 0 313.442 0.180 10 0 DCAERO CCCNC(=O)[C@@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262047180 396093839 /nfs/dbraw/zinc/09/38/39/396093839.db2.gz ZERDCBHHFATREC-CYBMUJFWSA-N 1 0 311.426 0.507 10 0 DCAERO C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000262109963 396099475 /nfs/dbraw/zinc/09/94/75/396099475.db2.gz UNDTXUMMUWWQKE-LLVKDONJSA-N 1 0 305.444 0.434 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000262106532 396099935 /nfs/dbraw/zinc/09/99/35/396099935.db2.gz ZRNKULSRVDFSNL-VXGBXAGGSA-N 1 0 305.378 0.621 10 0 DCAERO C[NH+](C)CCN(Cc1cccs1)C(=O)CN1CC(=O)NC1=O ZINC000175804537 396142041 /nfs/dbraw/zinc/14/20/41/396142041.db2.gz XJIZYEPYEFITLV-UHFFFAOYSA-N 1 0 324.406 0.190 10 0 DCAERO COCC[N@H+](C)CCNC(=O)c1ccc(CNC(C)=O)s1 ZINC000171127786 396108217 /nfs/dbraw/zinc/10/82/17/396108217.db2.gz WSLWOIYWFDLKBT-UHFFFAOYSA-N 1 0 313.423 0.692 10 0 DCAERO CN1CCO[C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000171287404 396112355 /nfs/dbraw/zinc/11/23/55/396112355.db2.gz ATJFUMHFKXGZIR-CQSZACIVSA-N 1 0 321.421 0.687 10 0 DCAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625416 396120677 /nfs/dbraw/zinc/12/06/77/396120677.db2.gz RUMBNMYCKPUIHV-GFCCVEGCSA-N 1 0 307.398 0.928 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)NCc1cccs1 ZINC000171640202 396121774 /nfs/dbraw/zinc/12/17/74/396121774.db2.gz XEFJQSUBJRLXSF-GFCCVEGCSA-N 1 0 322.434 0.854 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071877468 396121896 /nfs/dbraw/zinc/12/18/96/396121896.db2.gz NWLTXHXONGPFSJ-CABCVRRESA-N 1 0 316.409 0.635 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1cnn(-c2ccccc2)c1 ZINC000262351995 396129047 /nfs/dbraw/zinc/12/90/47/396129047.db2.gz VJWMDBRIJCAFOW-AWEZNQCLSA-N 1 0 300.362 0.867 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000174434937 396138130 /nfs/dbraw/zinc/13/81/30/396138130.db2.gz ICXKHRUYOBMMRH-QWHCGFSZSA-N 1 0 321.450 0.657 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(c2ncccn2)CC1 ZINC000174434146 396138212 /nfs/dbraw/zinc/13/82/12/396138212.db2.gz NGDPRSBRRZLYLF-ZDUSSCGKSA-N 1 0 321.450 0.657 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175044391 396139828 /nfs/dbraw/zinc/13/98/28/396139828.db2.gz OBHXUJYYYPNHLM-UONOGXRCSA-N 1 0 311.426 0.567 10 0 DCAERO Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)n1 ZINC000278769968 396139983 /nfs/dbraw/zinc/13/99/83/396139983.db2.gz CGIIGFJHRAZMSY-BLLLJJGKSA-N 1 0 317.393 0.128 10 0 DCAERO Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)n1 ZINC000278769978 396140109 /nfs/dbraw/zinc/14/01/09/396140109.db2.gz CGIIGFJHRAZMSY-WBMJQRKESA-N 1 0 317.393 0.128 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261883318 396075619 /nfs/dbraw/zinc/07/56/19/396075619.db2.gz YSYUUPMWUHPFEQ-UONOGXRCSA-N 1 0 312.373 0.691 10 0 DCAERO CN(C)C(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000261914041 396078892 /nfs/dbraw/zinc/07/88/92/396078892.db2.gz GQDBIJCSNLXSGJ-HNNXBMFYSA-N 1 0 303.406 0.883 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CCN1CCOC ZINC000261950617 396083448 /nfs/dbraw/zinc/08/34/48/396083448.db2.gz KBUGOLYUCPNZLZ-CABCVRRESA-N 1 0 313.442 0.310 10 0 DCAERO Cc1sc(=O)n(CCc2nc([C@H]3C[NH2+]CCN3C)no2)c1C ZINC000263222553 396206688 /nfs/dbraw/zinc/20/66/88/396206688.db2.gz MDQWBFHRLJIAIB-LLVKDONJSA-N 1 0 323.422 0.728 10 0 DCAERO Cc1cc(C)cc(-n2ncc(CNC[C@@H]3C[NH2+]C[C@H]3O)n2)c1 ZINC000263221700 396206839 /nfs/dbraw/zinc/20/68/39/396206839.db2.gz LZHNDVROOQSTEJ-CZUORRHYSA-N 1 0 301.394 0.554 10 0 DCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000178741860 396207175 /nfs/dbraw/zinc/20/71/75/396207175.db2.gz ZLTTTYGYKZVIPI-STQMWFEESA-N 1 0 311.451 0.946 10 0 DCAERO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263229836 396207323 /nfs/dbraw/zinc/20/73/23/396207323.db2.gz NGNJHVQZNNILDD-SCRDCRAPSA-N 1 0 302.440 0.787 10 0 DCAERO C[C@@H](NC(=O)C1C[NH2+]C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263237934 396208682 /nfs/dbraw/zinc/20/86/82/396208682.db2.gz BVRHFJHSNOTMPA-GFCCVEGCSA-N 1 0 316.405 0.949 10 0 DCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1OC(F)F ZINC000263249402 396209455 /nfs/dbraw/zinc/20/94/55/396209455.db2.gz PRDJELBDVRIBMK-WDEREUQCSA-N 1 0 302.321 0.967 10 0 DCAERO [NH3+]CCCNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000262476659 396144570 /nfs/dbraw/zinc/14/45/70/396144570.db2.gz OVONGSGWDQVGNU-LBPRGKRZSA-N 1 0 319.361 0.276 10 0 DCAERO O=C(NCc1cccc(OCC(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262530523 396151431 /nfs/dbraw/zinc/15/14/31/396151431.db2.gz PMBISJUMLMKQPE-PWSUYJOCSA-N 1 0 300.305 0.670 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000176756995 396159932 /nfs/dbraw/zinc/15/99/32/396159932.db2.gz WBOMVNNNJOULCP-GFCCVEGCSA-N 1 0 307.394 0.853 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000177266686 396171409 /nfs/dbraw/zinc/17/14/09/396171409.db2.gz NRHHNHAQCQADIF-CJNGLKHVSA-N 1 0 303.406 0.938 10 0 DCAERO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000263284411 396211319 /nfs/dbraw/zinc/21/13/19/396211319.db2.gz KHZRCGNWMJNLLR-UHFFFAOYSA-N 1 0 303.406 0.479 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262802902 396183850 /nfs/dbraw/zinc/18/38/50/396183850.db2.gz VXJZTUXSMGPAOQ-GWCFXTLKSA-N 1 0 312.391 0.750 10 0 DCAERO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC000279724072 396187441 /nfs/dbraw/zinc/18/74/41/396187441.db2.gz MVMCSNMYGIKNHI-MELADBBJSA-N 1 0 309.389 0.153 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CN2CCCCCCC2=O)n1 ZINC000263297807 396212136 /nfs/dbraw/zinc/21/21/36/396212136.db2.gz WOXCCKBKTPKXSR-LBPRGKRZSA-N 1 0 307.398 0.938 10 0 DCAERO Cn1c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc(=O)n(C)c1=O ZINC000178505121 396197291 /nfs/dbraw/zinc/19/72/91/396197291.db2.gz OVVBDVJFYOMUNU-NSHDSACASA-N 1 0 323.393 0.248 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccnc(-n3cccn3)c2)n1 ZINC000263140654 396202839 /nfs/dbraw/zinc/20/28/39/396202839.db2.gz CGUGTIORIZUXCL-LBPRGKRZSA-N 1 0 311.349 0.893 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H](COC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000182032495 396246043 /nfs/dbraw/zinc/24/60/43/396246043.db2.gz CDKFBOIAHTUWSA-YUELXQCFSA-N 1 0 313.442 0.898 10 0 DCAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182037493 396246256 /nfs/dbraw/zinc/24/62/56/396246256.db2.gz JDYUUTHRZZHIJL-NSHDSACASA-N 1 0 316.365 0.764 10 0 DCAERO COC(=O)CC[N@H+](CCC(=O)NC(C)C)C[C@H]1CCCO1 ZINC000078728168 396253025 /nfs/dbraw/zinc/25/30/25/396253025.db2.gz AWDHXBHMFCSENI-CYBMUJFWSA-N 1 0 300.399 0.945 10 0 DCAERO COC(=O)c1coc(C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000183681855 396273465 /nfs/dbraw/zinc/27/34/65/396273465.db2.gz VIRDBDRMXLBCBV-UHFFFAOYSA-N 1 0 310.350 0.643 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(=O)NCC2CC2)[C@H](C)C1 ZINC000183785357 396274788 /nfs/dbraw/zinc/27/47/88/396274788.db2.gz AFYPVGXHMHROJK-TZMCWYRMSA-N 1 0 310.442 0.884 10 0 DCAERO C[NH+](C)C1CCN(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000179283109 396225220 /nfs/dbraw/zinc/22/52/20/396225220.db2.gz KIXJWKBOANCUBP-MRXNPFEDSA-N 1 0 323.485 0.502 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)c2cn(CC3(C)COC3)nn2)CC[N@@H+]1C ZINC000184944651 396311940 /nfs/dbraw/zinc/31/19/40/396311940.db2.gz JXOKHCUQZCFBSV-CHWSQXEVSA-N 1 0 321.425 0.869 10 0 DCAERO CC[C@H]1CN(C(=O)NCC2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000185000121 396313139 /nfs/dbraw/zinc/31/31/39/396313139.db2.gz NAJULNQEFUDNJH-HIFRSBDPSA-N 1 0 313.442 0.900 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC000184452310 396296073 /nfs/dbraw/zinc/29/60/73/396296073.db2.gz MHOMUTAOPOSLBE-GFCCVEGCSA-N 1 0 302.382 0.920 10 0 DCAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000081903958 396309809 /nfs/dbraw/zinc/30/98/09/396309809.db2.gz JAQQDETWPNFOHD-STQMWFEESA-N 1 0 301.408 0.757 10 0 DCAERO CC(C)OCCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185218176 396321936 /nfs/dbraw/zinc/32/19/36/396321936.db2.gz RHHDYFTYTWIRMB-UONOGXRCSA-N 1 0 301.431 0.898 10 0 DCAERO CCCn1cc(CN2CCCN(C(=O)CC(=O)NC)CC2)cn1 ZINC000185380197 396325998 /nfs/dbraw/zinc/32/59/98/396325998.db2.gz JCEWSUUVBKENPR-UHFFFAOYSA-N 1 0 321.425 0.464 10 0 DCAERO CCOCCONC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000186012057 396339387 /nfs/dbraw/zinc/33/93/87/396339387.db2.gz BRTQQXGXHYFFSR-AWEZNQCLSA-N 1 0 314.430 0.376 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000186298383 396347043 /nfs/dbraw/zinc/34/70/43/396347043.db2.gz AFAASBPVXSAVAC-AWEZNQCLSA-N 1 0 322.457 0.982 10 0 DCAERO Cc1nnc2ccc(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@H]43)cn12 ZINC000285853305 396357973 /nfs/dbraw/zinc/35/79/73/396357973.db2.gz QJTPHRDQBCVRRN-KGLIPLIRSA-N 1 0 315.377 0.583 10 0 DCAERO CC1(CO)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000186959999 396360948 /nfs/dbraw/zinc/36/09/48/396360948.db2.gz UBYDKLMKWONNGT-ZDUSSCGKSA-N 1 0 304.456 0.752 10 0 DCAERO CC1(C)NC(=O)N(CCCC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000188637061 396384350 /nfs/dbraw/zinc/38/43/50/396384350.db2.gz MLJWGQOTUQWWEK-UHFFFAOYSA-N 1 0 322.409 0.404 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)ncn1 ZINC000188925897 396388714 /nfs/dbraw/zinc/38/87/14/396388714.db2.gz GKSHWXSDEBPWRC-QJPTWQEYSA-N 1 0 322.388 0.303 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2nc3cccc(C)c3n2C)C1 ZINC000189289972 396392459 /nfs/dbraw/zinc/39/24/59/396392459.db2.gz PIZZMXQBWDMQSM-WCQYABFASA-N 1 0 302.378 0.875 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000193124856 396444080 /nfs/dbraw/zinc/44/40/80/396444080.db2.gz HHZCEUACENZQDS-JSGCOSHPSA-N 1 0 312.410 0.945 10 0 DCAERO CCn1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1=O ZINC000189802699 396399637 /nfs/dbraw/zinc/39/96/37/396399637.db2.gz SSHREWRBOGOXRN-UHFFFAOYSA-N 1 0 318.377 0.113 10 0 DCAERO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000190322356 396405356 /nfs/dbraw/zinc/40/53/56/396405356.db2.gz USSCGOKXVWYUSR-CQSZACIVSA-N 1 0 304.456 0.895 10 0 DCAERO C[C@H]1CN(CC[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)CCO1 ZINC000191485688 396420650 /nfs/dbraw/zinc/42/06/50/396420650.db2.gz ZNMLZCPSORXXFD-INIZCTEOSA-N 1 0 321.469 0.649 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000191881255 396426465 /nfs/dbraw/zinc/42/64/65/396426465.db2.gz MTCZYDOALFLGNS-LSDHHAIUSA-N 1 0 317.389 0.807 10 0 DCAERO COCCCN(C(=O)CC[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000193179993 396445813 /nfs/dbraw/zinc/44/58/13/396445813.db2.gz IWUNEXHUGOURAZ-NEPJUHHUSA-N 1 0 306.428 0.166 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CN1CCOCC1 ZINC000192788215 396437351 /nfs/dbraw/zinc/43/73/51/396437351.db2.gz IKMVUFFEPZTAJI-ZIAGYGMSSA-N 1 0 300.447 0.737 10 0 DCAERO CC(C)[C@H]([NH2+]CCN1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000192789261 396437575 /nfs/dbraw/zinc/43/75/75/396437575.db2.gz HRTFQSWQTWVBBG-CABCVRRESA-N 1 0 313.442 0.180 10 0 DCAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cc(C(N)=O)co1 ZINC000188012942 396377842 /nfs/dbraw/zinc/37/78/42/396377842.db2.gz RMEUYERIECIESS-LLVKDONJSA-N 1 0 308.382 0.862 10 0 DCAERO CSC[C@@H](O)C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000188091955 396379308 /nfs/dbraw/zinc/37/93/08/396379308.db2.gz JNXYRLCYBMAUOM-CABCVRRESA-N 1 0 301.500 0.812 10 0 DCAERO O=C(Nc1cccc(-n2cnnn2)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188240116 396380184 /nfs/dbraw/zinc/38/01/84/396380184.db2.gz GNICJSZBJKZPPY-UHFFFAOYSA-N 1 0 310.321 0.283 10 0 DCAERO Cn1c2ccccc2cc(CN2CCOC[C@@H]2CC(N)=O)c1=O ZINC000515178504 396500969 /nfs/dbraw/zinc/50/09/69/396500969.db2.gz SDXOQTURNVZRHQ-AWEZNQCLSA-N 1 0 315.373 0.615 10 0 DCAERO C[C@H]([NH3+])CCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000193303893 396448731 /nfs/dbraw/zinc/44/87/31/396448731.db2.gz VIGOFMFNNDEHTQ-JSGCOSHPSA-N 1 0 301.456 0.438 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000193396790 396450332 /nfs/dbraw/zinc/45/03/32/396450332.db2.gz RLYYYTVRFFTZKK-YGRLFVJLSA-N 1 0 323.418 0.249 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN1c2ccccc2OCC1=O ZINC000270065593 396460511 /nfs/dbraw/zinc/46/05/11/396460511.db2.gz GAZPWDOJHBWFEM-BETUJISGSA-N 1 0 317.389 0.963 10 0 DCAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000374053140 396635445 /nfs/dbraw/zinc/63/54/45/396635445.db2.gz HREXRUFTVZUFAT-NSHDSACASA-N 1 0 320.397 0.705 10 0 DCAERO c1cc(N2CCC3(CC[NH2+]C3)CC2)nc(N2CCOCC2)n1 ZINC000634810349 396921882 /nfs/dbraw/zinc/92/18/82/396921882.db2.gz UHLAWDZSNFUDBK-UHFFFAOYSA-N 1 0 303.410 0.893 10 0 DCAERO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)c(=O)n(C)c1 ZINC000571849705 396992945 /nfs/dbraw/zinc/99/29/45/396992945.db2.gz MVSJHMPJLUZIPW-UHFFFAOYSA-N 1 0 308.382 0.042 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)[C@@](C)(C[NH3+])C1 ZINC000630363686 396994902 /nfs/dbraw/zinc/99/49/02/396994902.db2.gz QGJSENDKOPTQHD-CMPLNLGQSA-N 1 0 303.384 0.418 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1)N1CCCC1 ZINC000601072406 397001473 /nfs/dbraw/zinc/00/14/73/397001473.db2.gz QSUNJRFSFWIGGD-HUUCEWRRSA-N 1 0 323.437 0.304 10 0 DCAERO CC(C)(NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1nccs1 ZINC000394083272 397308690 /nfs/dbraw/zinc/30/86/90/397308690.db2.gz MDULFQJNAIINOP-SECBINFHSA-N 1 0 305.425 0.286 10 0 DCAERO COCC[N@@H+]1CCC[C@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000399507135 397314846 /nfs/dbraw/zinc/31/48/46/397314846.db2.gz LQUBRYNALFIBGJ-JTQLQIEISA-N 1 0 300.790 0.956 10 0 DCAERO Cc1scc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1C ZINC000399974009 397314906 /nfs/dbraw/zinc/31/49/06/397314906.db2.gz CIASLCMERXTKDV-LBPRGKRZSA-N 1 0 304.437 0.773 10 0 DCAERO Cc1c(C(=O)N2CCN(C)C[C@@H]2C)cccc1S(N)(=O)=O ZINC000407979560 397342497 /nfs/dbraw/zinc/34/24/97/397342497.db2.gz BZYIKOBHIMHZNM-JTQLQIEISA-N 1 0 311.407 0.419 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000408044762 397344935 /nfs/dbraw/zinc/34/49/35/397344935.db2.gz ORXDKSCWRFWRIH-MCIONIFRSA-N 1 0 320.455 0.178 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404150230 397328482 /nfs/dbraw/zinc/32/84/82/397328482.db2.gz LRWLAENLVDZROG-CHWSQXEVSA-N 1 0 305.444 0.416 10 0 DCAERO O=C(c1cc(Br)c[nH]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404222436 397329689 /nfs/dbraw/zinc/32/96/89/397329689.db2.gz LQZIZDLJUYVUGE-QWRGUYRKSA-N 1 0 314.183 0.980 10 0 DCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000370164881 397450282 /nfs/dbraw/zinc/45/02/82/397450282.db2.gz SYILQJQKSPFPNY-GRYCIOLGSA-N 1 0 304.412 0.009 10 0 DCAERO O[C@@H](C[NH2+]CCSCC(F)(F)F)CN1CCOCC1 ZINC000579582634 397580973 /nfs/dbraw/zinc/58/09/73/397580973.db2.gz IZJKMOLKFFMBAM-JTQLQIEISA-N 1 0 302.362 0.565 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)N2CCC(C)CC2)[N@H+](C)C1 ZINC000408027191 286092568 /nfs/dbraw/zinc/09/25/68/286092568.db2.gz LZCXZVDYLHJGOJ-KBPBESRZSA-N 1 0 319.471 0.614 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC)C12CCOCC2 ZINC000187175706 286282149 /nfs/dbraw/zinc/28/21/49/286282149.db2.gz UDDDZYMBJZYZNC-VXGBXAGGSA-N 1 0 306.428 0.099 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000048411824 158005563 /nfs/dbraw/zinc/00/55/63/158005563.db2.gz RABZKMYAEARMLR-CHWSQXEVSA-N 1 0 305.444 0.416 10 0 DCAERO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000066635202 158036631 /nfs/dbraw/zinc/03/66/31/158036631.db2.gz LKCDLNHDRGNXAQ-NSHDSACASA-N 1 0 303.428 0.011 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(C(=O)CCc2ccccc2O)CC1 ZINC000068063507 158040218 /nfs/dbraw/zinc/04/02/18/158040218.db2.gz XKCTVIAUBWNKPE-UHFFFAOYSA-N 1 0 319.405 0.557 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000087384252 158093111 /nfs/dbraw/zinc/09/31/11/158093111.db2.gz FIMPIRIBGRCLBE-SNVBAGLBSA-N 1 0 316.379 0.699 10 0 DCAERO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745257 158098724 /nfs/dbraw/zinc/09/87/24/158098724.db2.gz DEFPNYXNOHNDMQ-OLZOCXBDSA-N 1 0 317.455 0.306 10 0 DCAERO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003723 158100022 /nfs/dbraw/zinc/10/00/22/158100022.db2.gz JXOOBYOYSQTGRX-CYBMUJFWSA-N 1 0 322.409 0.354 10 0 DCAERO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696493 158120413 /nfs/dbraw/zinc/12/04/13/158120413.db2.gz CRGXRNYUHMFNTD-STQMWFEESA-N 1 0 300.428 0.533 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](n3cncn3)C2)C1=O ZINC000105898760 158132517 /nfs/dbraw/zinc/13/25/17/158132517.db2.gz LDTUHAJYBFRVEN-NSHDSACASA-N 1 0 306.370 0.245 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnsn2)CC1 ZINC000107284555 158135059 /nfs/dbraw/zinc/13/50/59/158135059.db2.gz AUFXKPMCRYJQMJ-GFCCVEGCSA-N 1 0 309.439 0.780 10 0 DCAERO COCCc1noc(CN2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000109819364 158138346 /nfs/dbraw/zinc/13/83/46/158138346.db2.gz DNMAYWIRIHAAEN-CQSZACIVSA-N 1 0 324.425 0.945 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCO1 ZINC000116791986 158166730 /nfs/dbraw/zinc/16/67/30/158166730.db2.gz IOOYMANOZRRYJT-CYBMUJFWSA-N 1 0 313.442 0.718 10 0 DCAERO CCCC(=O)NCC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000116771173 158167485 /nfs/dbraw/zinc/16/74/85/158167485.db2.gz JYWXAXKTIFDHCZ-CQSZACIVSA-N 1 0 313.442 0.862 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1 ZINC000116793416 158167703 /nfs/dbraw/zinc/16/77/03/158167703.db2.gz KJWVUKHZWUQWIE-KBPBESRZSA-N 1 0 300.399 0.361 10 0 DCAERO COc1cccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000117041397 158169889 /nfs/dbraw/zinc/16/98/89/158169889.db2.gz JHJWMTRGNOADJE-ZDUSSCGKSA-N 1 0 308.382 0.562 10 0 DCAERO CC(C)[NH+](CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(C)C ZINC000118755214 158179493 /nfs/dbraw/zinc/17/94/93/158179493.db2.gz WIIKWNPFPIEVOZ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/26/06/78/158260678.db2.gz ZPGWOSOMPIDWLB-ZWNOBZJWSA-N 1 0 311.407 0.338 10 0 DCAERO COc1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1O ZINC000127224922 158271438 /nfs/dbraw/zinc/27/14/38/158271438.db2.gz VYCTUEJDQTXDOL-GFCCVEGCSA-N 1 0 306.362 0.994 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cnn2c1CCCC2 ZINC000127493303 158274008 /nfs/dbraw/zinc/27/40/08/158274008.db2.gz GPZNEYPHLBADTN-UHFFFAOYSA-N 1 0 319.453 0.929 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(CCO)CCOC1 ZINC000128255538 158279802 /nfs/dbraw/zinc/27/98/02/158279802.db2.gz MLZSKXHWSKPRRH-HOCLYGCPSA-N 1 0 313.442 0.949 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cncn1 ZINC000139560184 158347533 /nfs/dbraw/zinc/34/75/33/158347533.db2.gz RHJBNPXSEDLWHA-CYBMUJFWSA-N 1 0 315.381 0.556 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)CCO1 ZINC000155293765 158350614 /nfs/dbraw/zinc/35/06/14/158350614.db2.gz FUPXFFWCSZSROA-LLVKDONJSA-N 1 0 312.801 0.936 10 0 DCAERO O=C(N[C@H]1CCCOC1)N1CCC(C[NH+]2CCOCC2)CC1 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306.288 0.169 10 0 DCAERO Cc1ccc(C(=O)NCCNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261931169 158755537 /nfs/dbraw/zinc/75/55/37/158755537.db2.gz SUOPADGUJDAHLR-UHFFFAOYSA-N 1 0 319.405 0.597 10 0 DCAERO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262001423 158762745 /nfs/dbraw/zinc/76/27/45/158762745.db2.gz VDWZEUVVRBLWEB-MJBXVCDLSA-N 1 0 311.426 0.518 10 0 DCAERO Cc1nc(-c2cccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c2)n[nH]1 ZINC000262212352 158785087 /nfs/dbraw/zinc/78/50/87/158785087.db2.gz IXBQXZYRSLHXKF-OLZOCXBDSA-N 1 0 301.350 0.090 10 0 DCAERO CSc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1NC(C)=O ZINC000262253796 158790462 /nfs/dbraw/zinc/79/04/62/158790462.db2.gz LSPZPNJMJSEHGJ-WCQYABFASA-N 1 0 323.418 0.677 10 0 DCAERO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262322645 158797369 /nfs/dbraw/zinc/79/73/69/158797369.db2.gz RNMRFUMMHFQCDA-KGLIPLIRSA-N 1 0 315.373 0.971 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cn1 ZINC000262371380 158804752 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0.555 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408210542 160060693 /nfs/dbraw/zinc/06/06/93/160060693.db2.gz INFBSKRIYCFQDZ-ZDUSSCGKSA-N 1 0 306.428 0.149 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccnn2C)[C@H](C)C1 ZINC000408237187 160066240 /nfs/dbraw/zinc/06/62/40/160066240.db2.gz MFFZPDGUYYQKLO-VXGBXAGGSA-N 1 0 300.428 0.771 10 0 DCAERO CNC(=O)CC(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000408320358 160084257 /nfs/dbraw/zinc/08/42/57/160084257.db2.gz KWMIJMHDAULGCC-GFCCVEGCSA-N 1 0 304.394 0.980 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000153981320 286943604 /nfs/dbraw/zinc/94/36/04/286943604.db2.gz LYSUNLNKDWDRDS-HUUCEWRRSA-N 1 0 307.394 0.684 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000132492671 287005733 /nfs/dbraw/zinc/00/57/33/287005733.db2.gz SZXGYSJDAAVTSE-DZKIICNBSA-N 1 0 314.426 0.534 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000152914886 287045135 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319.471 0.804 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000246288060 287080731 /nfs/dbraw/zinc/08/07/31/287080731.db2.gz VZMWGYRTMIZTPQ-NWDGAFQWSA-N 1 0 305.444 0.366 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000246158291 287077924 /nfs/dbraw/zinc/07/79/24/287077924.db2.gz LLOBKQVLBXSRKI-REWJHTLYSA-N 1 0 319.471 0.755 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000246406610 287083137 /nfs/dbraw/zinc/08/31/37/287083137.db2.gz RGKSNEHWVKVXBU-UPJWGTAASA-N 1 0 305.444 0.224 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000246569929 287085433 /nfs/dbraw/zinc/08/54/33/287085433.db2.gz LWHZSPVWEBRMSO-RBSFLKMASA-N 1 0 313.442 0.900 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC000248490479 287098063 /nfs/dbraw/zinc/09/80/63/287098063.db2.gz NMAFLMRSEMKTJB-OLZOCXBDSA-N 1 0 309.414 0.431 10 0 DCAERO CC[C@H]1CN(C(=O)NCC(C)(C)OC)CC[N@@H+]1C[C@H](C)O ZINC000248503314 287098082 /nfs/dbraw/zinc/09/80/82/287098082.db2.gz UWWMDGYPIKAWLC-STQMWFEESA-N 1 0 301.431 0.898 10 0 DCAERO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000248636514 287099116 /nfs/dbraw/zinc/09/91/16/287099116.db2.gz YDOCREMIQCHRHK-UMVBOHGHSA-N 1 0 300.399 0.273 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000249108065 287106404 /nfs/dbraw/zinc/10/64/04/287106404.db2.gz QTDKIHQIZBBHDI-MELADBBJSA-N 1 0 321.487 0.906 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@](C)(O)CC)C1 ZINC000249413191 287110189 /nfs/dbraw/zinc/11/01/89/287110189.db2.gz VOTQWHQBTUEHEL-CJNGLKHVSA-N 1 0 314.426 0.881 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000249049740 287105651 /nfs/dbraw/zinc/10/56/51/287105651.db2.gz XCYLYEWHCMZHAO-IJLUTSLNSA-N 1 0 305.444 0.111 10 0 DCAERO Cc1cccc(OC[C@H](O)CN2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000249564431 287114401 /nfs/dbraw/zinc/11/44/01/287114401.db2.gz MQGXCWDDZYBNGM-JKSUJKDBSA-N 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ZINC000111836745 415697523 /nfs/dbraw/zinc/69/75/23/415697523.db2.gz NTBQUXMMPCSCIC-GJZGRUSLSA-N 1 0 321.425 0.778 10 0 DCAERO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333631076 415700285 /nfs/dbraw/zinc/70/02/85/415700285.db2.gz SSDLMRPPONDISM-GFCCVEGCSA-N 1 0 306.410 0.535 10 0 DCAERO CC(=O)NCCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112272241 415709440 /nfs/dbraw/zinc/70/94/40/415709440.db2.gz PZWWLGFNYQYXIK-UHFFFAOYSA-N 1 0 319.409 0.089 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000333809015 415743442 /nfs/dbraw/zinc/74/34/42/415743442.db2.gz PHAQCVGXXYVFOM-DZGCQCFKSA-N 1 0 316.405 0.791 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000333910143 415765394 /nfs/dbraw/zinc/76/53/94/415765394.db2.gz LBUHPGSEWRNVQE-RYUDHWBXSA-N 1 0 304.398 0.165 10 0 DCAERO CN([C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1C[NH2+]C[C@@H]1O ZINC000333867567 415755835 /nfs/dbraw/zinc/75/58/35/415755835.db2.gz RHRCYUHGEXVRBD-IHRRRGAJSA-N 1 0 309.797 0.710 10 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CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178535371 416166752 /nfs/dbraw/zinc/16/67/52/416166752.db2.gz DWKOFMQWAJFITP-BBRMVZONSA-N 1 0 301.390 0.767 10 0 DCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178715077 416169950 /nfs/dbraw/zinc/16/99/50/416169950.db2.gz RZNQMGOJPPPTHG-CVEARBPZSA-N 1 0 315.417 0.946 10 0 DCAERO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@@H]2CN3CCN2CC3)s1 ZINC000178732232 416170986 /nfs/dbraw/zinc/17/09/86/416170986.db2.gz CXZFVAVOSLIGJU-NWDGAFQWSA-N 1 0 324.450 0.889 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000178840924 416173406 /nfs/dbraw/zinc/17/34/06/416173406.db2.gz DOKNJNGSGFCGFT-GFCCVEGCSA-N 1 0 307.398 0.642 10 0 DCAERO C[NH2+]C1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)CC1 ZINC000179139126 416183480 /nfs/dbraw/zinc/18/34/80/416183480.db2.gz JGBOYEXCQGAOLU-UHFFFAOYSA-N 1 0 316.405 0.941 10 0 DCAERO CN(C[C@@H]1CCCO1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179286201 416184208 /nfs/dbraw/zinc/18/42/08/416184208.db2.gz 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ZINC000194868118 416325008 /nfs/dbraw/zinc/32/50/08/416325008.db2.gz APWXXNDOOLNCIW-FZMZJTMJSA-N 1 0 307.394 0.913 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237775473 416328568 /nfs/dbraw/zinc/32/85/68/416328568.db2.gz UUGKGCYZAMHWCQ-FOSCPWQOSA-N 1 0 309.391 0.347 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc2ncnn21 ZINC000359849383 416362554 /nfs/dbraw/zinc/36/25/54/416362554.db2.gz ZFFBEAYJSQFLNJ-UHFFFAOYSA-N 1 0 316.409 0.439 10 0 DCAERO CC(=O)N1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000536015684 416535222 /nfs/dbraw/zinc/53/52/22/416535222.db2.gz FBFLULAPIGZDMW-UHFFFAOYSA-N 1 0 305.382 0.226 10 0 DCAERO C[C@H]1CCOCC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000362044791 416549743 /nfs/dbraw/zinc/54/97/43/416549743.db2.gz JOQHTGSSYUIVRL-LBPRGKRZSA-N 1 0 314.407 0.824 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000537213572 416554629 /nfs/dbraw/zinc/55/46/29/416554629.db2.gz FVBKHWFMMOPVCY-UHFFFAOYSA-N 1 0 305.425 0.419 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[NH+](C)C ZINC000459049135 416519205 /nfs/dbraw/zinc/51/92/05/416519205.db2.gz YQFRBMOFLXZJJV-MELADBBJSA-N 1 0 313.442 0.803 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cncc(F)c2)CC1 ZINC000439856809 416622600 /nfs/dbraw/zinc/62/26/00/416622600.db2.gz UALLRBZKPSJCRR-UHFFFAOYSA-N 1 0 306.341 0.927 10 0 DCAERO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000542518290 416626056 /nfs/dbraw/zinc/62/60/56/416626056.db2.gz JEFQNVAHRHGYBL-QGZVFWFLSA-N 1 0 316.405 0.813 10 0 DCAERO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CCCO ZINC000440935463 416654444 /nfs/dbraw/zinc/65/44/44/416654444.db2.gz AIBCURWRTKUTDS-UONOGXRCSA-N 1 0 322.405 0.988 10 0 DCAERO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CCCO ZINC000440971486 416655858 /nfs/dbraw/zinc/65/58/58/416655858.db2.gz ZYCPXSJGRVIORZ-ZDUSSCGKSA-N 1 0 322.405 0.819 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000545319185 416672404 /nfs/dbraw/zinc/67/24/04/416672404.db2.gz 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ZINC000631979964 416847604 /nfs/dbraw/zinc/84/76/04/416847604.db2.gz ZEUGLDMLNSIVRG-LLVKDONJSA-N 1 0 300.428 0.785 10 0 DCAERO CCOc1nnc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)s1 ZINC000429165070 416948848 /nfs/dbraw/zinc/94/88/48/416948848.db2.gz YJWPHUSBKBPHAE-GHMZBOCLSA-N 1 0 300.428 0.824 10 0 DCAERO Cn1nncc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624390195 417025794 /nfs/dbraw/zinc/02/57/94/417025794.db2.gz XQAPQSMJJYEIAW-UHFFFAOYSA-N 1 0 307.379 0.415 10 0 DCAERO CC(C)[N@@H+]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000524367952 417105087 /nfs/dbraw/zinc/10/50/87/417105087.db2.gz YHXXJYOUMPGZKF-CVEARBPZSA-N 1 0 300.443 0.959 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](CC)CO1 ZINC000403712228 417115709 /nfs/dbraw/zinc/11/57/09/417115709.db2.gz BRWAYVBFJZIABQ-UPJWGTAASA-N 1 0 306.428 0.194 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408122620 417143533 /nfs/dbraw/zinc/14/35/33/417143533.db2.gz LCSAAIOSGGKUMU-ZDUSSCGKSA-N 1 0 319.471 0.806 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000408048620 417136010 /nfs/dbraw/zinc/13/60/10/417136010.db2.gz YVTGKRWGGTXJLD-BBRMVZONSA-N 1 0 311.426 0.350 10 0 DCAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)O1 ZINC000408130909 417143705 /nfs/dbraw/zinc/14/37/05/417143705.db2.gz CSLPMJLFTWFVAP-KGLIPLIRSA-N 1 0 312.410 0.240 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCn2ccnc2C1 ZINC000638095983 417322565 /nfs/dbraw/zinc/32/25/65/417322565.db2.gz DXFITORCSLQQRA-OAHLLOKOSA-N 1 0 313.405 0.685 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000638447756 417462446 /nfs/dbraw/zinc/46/24/46/417462446.db2.gz HXRAKAWJXKLNKN-NVXWUHKLSA-N 1 0 317.433 0.955 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC12COC2 ZINC000452266713 417464271 /nfs/dbraw/zinc/46/42/71/417464271.db2.gz TUEPOKUDTOFALV-CYBMUJFWSA-N 1 0 310.394 0.366 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682016 417535126 /nfs/dbraw/zinc/53/51/26/417535126.db2.gz REPMHNVEFPAZGA-RNJOBUHISA-N 1 0 300.424 0.553 10 0 DCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000575832872 417554266 /nfs/dbraw/zinc/55/42/66/417554266.db2.gz MQHZZPNJZVEBQZ-IAQYHMDHSA-N 1 0 308.382 0.716 10 0 DCAERO CO[C@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000530460780 417577260 /nfs/dbraw/zinc/57/72/60/417577260.db2.gz UZJIEYBFISLEON-CABCVRRESA-N 1 0 312.458 0.881 10 0 DCAERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)[C@@H]1C ZINC000530340291 417568669 /nfs/dbraw/zinc/56/86/69/417568669.db2.gz NFYLKQSVIPUCAR-ZOBORPQBSA-N 1 0 301.383 0.426 10 0 DCAERO COC(=O)C1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000576565354 417618885 /nfs/dbraw/zinc/61/88/85/417618885.db2.gz HOGZDIVBNDBZOW-UHFFFAOYSA-N 1 0 316.317 0.342 10 0 DCAERO OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000532098134 417660727 /nfs/dbraw/zinc/66/07/27/417660727.db2.gz WWWAMWNLPOZKCG-HZSPNIEDSA-N 1 0 305.440 0.343 10 0 DCAERO 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IYJHDTGCJWHHAN-ZJUUUORDSA-N 1 0 309.332 0.900 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)nn1 ZINC000188026391 261125962 /nfs/dbraw/zinc/12/59/62/261125962.db2.gz HDXJBMAYHNOZIT-SWLSCSKDSA-N 1 0 310.398 0.477 10 0 DCAERO O=C(CN1CC[NH+](CC[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000188585091 261129266 /nfs/dbraw/zinc/12/92/66/261129266.db2.gz CRRKVVBSWQNGNZ-HNNXBMFYSA-N 1 0 311.426 0.032 10 0 DCAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cnnn2C)CC1 ZINC000357574764 261556539 /nfs/dbraw/zinc/55/65/39/261556539.db2.gz MBVDTXLVCKGPBG-UHFFFAOYSA-N 1 0 301.416 0.215 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000532318344 272784423 /nfs/dbraw/zinc/78/44/23/272784423.db2.gz MGZJKPOLCCWGQA-GFCCVEGCSA-N 1 0 309.418 0.472 10 0 DCAERO Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263286145 274866101 /nfs/dbraw/zinc/86/61/01/274866101.db2.gz VANDCXBASHLYFE-HIFRSBDPSA-N 1 0 301.394 0.554 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000133817768 276391475 /nfs/dbraw/zinc/39/14/75/276391475.db2.gz WVWNLHIPZABDKI-ZIAGYGMSSA-N 1 0 304.456 0.943 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000330788399 276981853 /nfs/dbraw/zinc/98/18/53/276981853.db2.gz QWVOTUDKNVVLAM-GJZGRUSLSA-N 1 0 311.426 0.567 10 0 DCAERO COCCCNC(=O)[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177272458 277208783 /nfs/dbraw/zinc/20/87/83/277208783.db2.gz LRZANOGSGRJCNX-KKUMJFAQSA-N 1 0 313.442 0.180 10 0 DCAERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333577419 277245729 /nfs/dbraw/zinc/24/57/29/277245729.db2.gz NEGTUXICMABYGU-KYEXWDHISA-N 1 0 322.453 0.931 10 0 DCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249390751 277761785 /nfs/dbraw/zinc/76/17/85/277761785.db2.gz BQLVQWOUEFTHEP-QVHKTLOISA-N 1 0 309.410 0.271 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378352766 278064647 /nfs/dbraw/zinc/06/46/47/278064647.db2.gz WXXZETMAMRACQI-ZDUSSCGKSA-N 1 0 311.451 0.995 10 0 DCAERO CC(=O)NC1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCCCC1 ZINC000116791476 278080264 /nfs/dbraw/zinc/08/02/64/278080264.db2.gz RTLRWZPNOVUTLE-CQSZACIVSA-N 1 0 311.426 0.614 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCC(OCCO)CC2)CC1 ZINC000547297257 288036277 /nfs/dbraw/zinc/03/62/77/288036277.db2.gz GYLXKJOCJWTHIV-UHFFFAOYSA-N 1 0 311.426 0.821 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N(CCO)C2CCOCC2)CC1 ZINC000547717291 288071946 /nfs/dbraw/zinc/07/19/46/288071946.db2.gz ZDKMFMFWQWTPCS-UHFFFAOYSA-N 1 0 311.426 0.821 10 0 DCAERO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC1(O)CCOCC1 ZINC000547749241 288075532 /nfs/dbraw/zinc/07/55/32/288075532.db2.gz CTORWFFHCBFFEC-KBPBESRZSA-N 1 0 303.399 0.016 10 0 DCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333300190 279026750 /nfs/dbraw/zinc/02/67/50/279026750.db2.gz MFYTUISPCWYAGD-IGQOVBAYSA-N 1 0 309.410 0.413 10 0 DCAERO CCN(C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000262103591 279046851 /nfs/dbraw/zinc/04/68/51/279046851.db2.gz 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[NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000163759387 295335424 /nfs/dbraw/zinc/33/54/24/295335424.db2.gz XWCYYJNNAIQDMO-CABCVRRESA-N 1 0 322.453 0.271 10 0 DCAERO O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000238101573 295444446 /nfs/dbraw/zinc/44/44/46/295444446.db2.gz PQJPDROMTOQUDL-CYBMUJFWSA-N 1 0 311.451 0.900 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456652 295530418 /nfs/dbraw/zinc/53/04/18/295530418.db2.gz ICLAEGCBRJIFLR-FRRDWIJNSA-N 1 0 317.455 0.292 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184201960 295536431 /nfs/dbraw/zinc/53/64/31/295536431.db2.gz BNLHMMKWPFBFNA-GFCCVEGCSA-N 1 0 317.455 0.436 10 0 DCAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC000408185675 298269040 /nfs/dbraw/zinc/26/90/40/298269040.db2.gz DOYXYBDPFHBDNM-LLVKDONJSA-N 1 0 305.444 0.067 10 0 DCAERO [NH3+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000262471285 303379251 /nfs/dbraw/zinc/37/92/51/303379251.db2.gz JFJZIBAIUPOKJC-LBPRGKRZSA-N 1 0 319.361 0.485 10 0 DCAERO [NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CC[C@H]12 ZINC000263583968 303450325 /nfs/dbraw/zinc/45/03/25/303450325.db2.gz GQZBYDOFFCUZPR-KGLIPLIRSA-O 1 0 314.365 0.133 10 0 DCAERO CCc1nnc(C2CC[NH+](CCN3C(=O)CCC3=O)CC2)[nH]1 ZINC000190653736 336265286 /nfs/dbraw/zinc/26/52/86/336265286.db2.gz ABDMMCDDJKZTRO-UHFFFAOYSA-N 1 0 305.382 0.696 10 0 DCAERO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCC1 ZINC000583123272 337244200 /nfs/dbraw/zinc/24/42/00/337244200.db2.gz LEIBLAWCRMTNIC-UHFFFAOYSA-N 1 0 315.377 0.873 10 0 DCAERO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000583866864 337360998 /nfs/dbraw/zinc/36/09/98/337360998.db2.gz KEONTFQUSHPSRQ-QWHCGFSZSA-N 1 0 301.408 0.757 10 0 DCAERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(N)C=C[C@@H](O)[C@@H]3O5 ZINC000584607059 337371768 /nfs/dbraw/zinc/37/17/68/337371768.db2.gz SHVUTVZUBONGMK-LQPBRMSDSA-N 1 0 300.358 0.279 10 0 DCAERO CS(=O)(=O)c1ccc(N2CC3(CC2=O)CC[NH2+]CC3)nc1 ZINC000584624255 337375307 /nfs/dbraw/zinc/37/53/07/337375307.db2.gz MQPQNFWTZVXFPV-UHFFFAOYSA-N 1 0 309.391 0.592 10 0 DCAERO COc1ccc(OC)c2c1CC[C@]([NH3+])(C(=O)C[S@](C)=O)C2 ZINC000584654520 337377702 /nfs/dbraw/zinc/37/77/02/337377702.db2.gz AYUBMZINGWBZIY-VFNWGFHPSA-N 1 0 311.403 0.838 10 0 DCAERO Cn1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1=O ZINC000171054650 338531312 /nfs/dbraw/zinc/53/13/12/338531312.db2.gz USWBOBREEKOGPW-UHFFFAOYSA-N 1 0 304.354 0.787 10 0 DCAERO NC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000299748564 534420949 /nfs/dbraw/zinc/42/09/49/534420949.db2.gz HMMAGRSNKKESQR-CVEARBPZSA-N 1 0 306.406 0.538 10 0 DCAERO CC(=O)NC1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000189828758 519648347 /nfs/dbraw/zinc/64/83/47/519648347.db2.gz JEYSEBGELYZQIJ-UHFFFAOYSA-N 1 0 304.394 0.778 10 0 DCAERO CCOCC[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000181039540 519903963 /nfs/dbraw/zinc/90/39/63/519903963.db2.gz NJCVPVYOZLPLGH-LBPRGKRZSA-N 1 0 306.362 0.612 10 0 DCAERO CCC[C@H](C(=O)NCCC(=O)NCc1cccnc1)[NH+](C)C ZINC000161953995 520979355 /nfs/dbraw/zinc/97/93/55/520979355.db2.gz NXXIWJDFIRSDPL-CQSZACIVSA-N 1 0 306.410 0.934 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000182919676 521666939 /nfs/dbraw/zinc/66/69/39/521666939.db2.gz VIAYUWPDJYUEPF-GDBMZVCRSA-N 1 0 305.422 0.862 10 0 DCAERO CN(C)c1ncc(NC(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000154438725 522354000 /nfs/dbraw/zinc/35/40/00/522354000.db2.gz OMFDISJJACLILO-UHFFFAOYSA-N 1 0 322.413 0.368 10 0 DCAERO CCn1c(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc2ccccc21 ZINC000166314666 523183526 /nfs/dbraw/zinc/18/35/26/523183526.db2.gz HRVOVIMKTCKCKY-YPMHNXCESA-N 1 0 302.378 0.438 10 0 DCAERO O=C(c1ccc(Br)cn1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299744078 534692596 /nfs/dbraw/zinc/69/25/96/534692596.db2.gz QRVJTVNWKZEBJQ-MNOVXSKESA-N 1 0 312.167 0.657 10 0 DCAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859537 534706666 /nfs/dbraw/zinc/70/66/66/534706666.db2.gz YZONJEILDYIEGG-LLVKDONJSA-N 1 0 317.397 0.028 10 0 DCAERO CO[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000227376347 523931327 /nfs/dbraw/zinc/93/13/27/523931327.db2.gz MWQKPMPWVRQIQW-JOYOIKCWSA-N 1 0 300.380 0.241 10 0 DCAERO CO[C@H]1CC[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000364999451 524003753 /nfs/dbraw/zinc/00/37/53/524003753.db2.gz FLURDTRMRWZILX-IRXDYDNUSA-N 1 0 311.470 0.940 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)c1cccnc1 ZINC000247145987 524560765 /nfs/dbraw/zinc/56/07/65/524560765.db2.gz WQPHYFILWPEXNJ-GXTWGEPZSA-N 1 0 304.394 0.610 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[N@@H+]1C1CC1 ZINC000190185035 524802908 /nfs/dbraw/zinc/80/29/08/524802908.db2.gz CBCQMJBGXZTPSB-VHSXEESVSA-N 1 0 313.361 0.673 10 0 DCAERO C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131922505 524809805 /nfs/dbraw/zinc/80/98/05/524809805.db2.gz UIHVVXGSJBTPEN-QWHCGFSZSA-N 1 0 324.425 0.838 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[N@@H+]1C1CC1 ZINC000190185016 525259658 /nfs/dbraw/zinc/25/96/58/525259658.db2.gz CBCQMJBGXZTPSB-NXEZZACHSA-N 1 0 313.361 0.673 10 0 DCAERO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000162685398 526066179 /nfs/dbraw/zinc/06/61/79/526066179.db2.gz GTUGJVKKGYAHIS-MGOULQTBSA-N 1 0 310.419 0.932 10 0 DCAERO CC(C)(C)[NH2+]CCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000174251062 526330194 /nfs/dbraw/zinc/33/01/94/526330194.db2.gz FUZHSHGBFHWMGQ-UHFFFAOYSA-N 1 0 319.453 0.708 10 0 DCAERO O=C(CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCc2ccccc21 ZINC000157866389 526438782 /nfs/dbraw/zinc/43/87/82/526438782.db2.gz UNNNUINEHKCIBX-KBPBESRZSA-N 1 0 317.389 0.195 10 0 DCAERO Cc1noc([C@@]2(O)CCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000372868979 526660254 /nfs/dbraw/zinc/66/02/54/526660254.db2.gz LXMRRIYFQVAOLR-OAHLLOKOSA-N 1 0 308.382 0.530 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)n(C)c1=O ZINC000247980526 527029686 /nfs/dbraw/zinc/02/96/86/527029686.db2.gz MITOJTHIQOOBDM-BLLLJJGKSA-N 1 0 307.394 0.211 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000157997694 527651326 /nfs/dbraw/zinc/65/13/26/527651326.db2.gz YJXCLLVEVKBNOU-INIZCTEOSA-N 1 0 311.426 0.921 10 0 DCAERO CCOC(=O)[C@@H](N)Cn1cc(I)cn1 ZINC000070678607 545661780 /nfs/dbraw/zinc/66/17/80/545661780.db2.gz TZWDCEZIZAYOPG-ZETCQYMHSA-N 1 0 309.107 0.378 10 0 DCAERO CCN[C@@H](Cn1cc(I)cn1)C(=O)OC ZINC000070678576 545661510 /nfs/dbraw/zinc/66/15/10/545661510.db2.gz LKETUPSIYFEOPD-QMMMGPOBSA-N 1 0 323.134 0.639 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000215988223 545939063 /nfs/dbraw/zinc/93/90/63/545939063.db2.gz IQCBEHAVYZBRQX-QWRGUYRKSA-N 1 0 311.407 0.404 10 0 DCAERO CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000248624977 545969153 /nfs/dbraw/zinc/96/91/53/545969153.db2.gz URKBHMMELSXKIB-IVMMDQJWSA-N 1 0 319.405 0.747 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000251785519 545974018 /nfs/dbraw/zinc/97/40/18/545974018.db2.gz NHKDPDZDBBPVFZ-RVMXOQNASA-N 1 0 305.444 0.400 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]2CO)C1 ZINC000253169959 545975613 /nfs/dbraw/zinc/97/56/13/545975613.db2.gz FFZBHZRJHHHJEM-KBPBESRZSA-N 1 0 304.456 0.895 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000262063789 545978308 /nfs/dbraw/zinc/97/83/08/545978308.db2.gz BAMKEZNZACJGTQ-HZMBPMFUSA-N 1 0 314.345 0.159 10 0 DCAERO Cc1nc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)nn1-c1ccc(F)cc1 ZINC000262079980 545978798 /nfs/dbraw/zinc/97/87/98/545978798.db2.gz CHLVZNYCIPZGDF-MFKMUULPSA-N 1 0 319.340 0.025 10 0 DCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1OC ZINC000262109045 545979366 /nfs/dbraw/zinc/97/93/66/545979366.db2.gz FERNJHCCJXOZEU-GXSJLCMTSA-N 1 0 310.350 0.023 10 0 DCAERO CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262094588 545979678 /nfs/dbraw/zinc/97/96/78/545979678.db2.gz DHAHNRVNPZKDRN-TZMCWYRMSA-N 1 0 320.393 0.527 10 0 DCAERO O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262202763 545980152 /nfs/dbraw/zinc/98/01/52/545980152.db2.gz IITZQNGFENUZCX-CMPLNLGQSA-N 1 0 313.195 0.688 10 0 DCAERO CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262238912 545981849 /nfs/dbraw/zinc/98/18/49/545981849.db2.gz KUWLFWDHKZGGCH-JSGCOSHPSA-N 1 0 305.378 0.591 10 0 DCAERO COc1cc(CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1 ZINC000262271000 545981925 /nfs/dbraw/zinc/98/19/25/545981925.db2.gz MYJXFOHCFASLTO-SWLSCSKDSA-N 1 0 308.378 0.333 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262272026 545981991 /nfs/dbraw/zinc/98/19/91/545981991.db2.gz NAWUQVMGODXXON-QMTHXVAHSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000262326329 545983562 /nfs/dbraw/zinc/98/35/62/545983562.db2.gz RUVMMRJZVXXTJX-SVRRBLITSA-N 1 0 305.256 0.116 10 0 DCAERO Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c2)cs1 ZINC000262360440 545984233 /nfs/dbraw/zinc/98/42/33/545984233.db2.gz VCOAAMNGIJQFGB-MFKMUULPSA-N 1 0 306.391 0.757 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2c([nH]c1=O)CCCCC2 ZINC000262368412 545984492 /nfs/dbraw/zinc/98/44/92/545984492.db2.gz VXSNPGPGFOEHNZ-RISCZKNCSA-N 1 0 305.378 0.366 10 0 DCAERO COc1ccc2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c(C)nc2c1 ZINC000262346688 545984520 /nfs/dbraw/zinc/98/45/20/545984520.db2.gz UEOVKXDHVOWFNY-WBMJQRKESA-N 1 0 315.373 0.862 10 0 DCAERO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262360573 545984584 /nfs/dbraw/zinc/98/45/84/545984584.db2.gz VDWHIJXXJRXPKE-RISCZKNCSA-N 1 0 316.361 0.395 10 0 DCAERO CCc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccn1 ZINC000262351645 545984620 /nfs/dbraw/zinc/98/46/20/545984620.db2.gz UNFXCYBGDAPUFU-RISCZKNCSA-N 1 0 315.377 0.140 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000262405335 545985172 /nfs/dbraw/zinc/98/51/72/545985172.db2.gz YVNGNUQKYXIULS-IUODEOHRSA-N 1 0 313.357 0.764 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nnc2n1CCC2 ZINC000332838579 546062099 /nfs/dbraw/zinc/06/20/99/546062099.db2.gz GYGICZYZSRINQM-RYUDHWBXSA-N 1 0 304.398 0.602 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333852151 546093417 /nfs/dbraw/zinc/09/34/17/546093417.db2.gz QFEFAGQQINTGKZ-OFQRWUPVSA-N 1 0 311.426 0.702 10 0 DCAERO CCNC(=O)C1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCC1 ZINC000333846678 546094144 /nfs/dbraw/zinc/09/41/44/546094144.db2.gz WKNHCJXACWIDGV-CHWSQXEVSA-N 1 0 308.426 0.544 10 0 DCAERO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000358089030 546190019 /nfs/dbraw/zinc/19/00/19/546190019.db2.gz BHFRTUSPOTXVPZ-GFCCVEGCSA-N 1 0 323.441 0.613 10 0 DCAERO CC(C)CNC(=O)N1C[C@@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675073286 547658926 /nfs/dbraw/zinc/65/89/26/547658926.db2.gz MDASJBFUZMBCAO-DGCLKSJQSA-N 1 0 303.428 0.190 10 0 DCAERO COc1cncc(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1C ZINC000888099242 661178230 /nfs/dbraw/zinc/17/82/30/661178230.db2.gz UYFLKMVPTWBXLN-CABCVRRESA-N 1 0 316.409 0.977 10 0 DCAERO O=c1ccc(C(F)(F)F)nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246887461 657794204 /nfs/dbraw/zinc/79/42/04/657794204.db2.gz RFEDICVSBNMQSR-JTQLQIEISA-N 1 0 302.300 1.000 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000176196142 657977257 /nfs/dbraw/zinc/97/72/57/657977257.db2.gz XKLQYIIZPUEYEJ-QWHCGFSZSA-N 1 0 321.425 0.855 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccnc(-n2ccnc2)c1 ZINC000262374618 658028780 /nfs/dbraw/zinc/02/87/80/658028780.db2.gz MCYYQPWWPGBMDE-CYBMUJFWSA-N 1 0 301.350 0.262 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000254986034 658061997 /nfs/dbraw/zinc/06/19/97/658061997.db2.gz FRNNJWLQMGPMTF-IRBQFCFKSA-N 1 0 309.391 0.549 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000050253536 658174590 /nfs/dbraw/zinc/17/45/90/658174590.db2.gz IPJOKQSIMSBJPU-SECBINFHSA-N 1 0 300.428 0.703 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000177159295 658706891 /nfs/dbraw/zinc/70/68/91/658706891.db2.gz WKKFOJCKQLZTPU-GFCCVEGCSA-N 1 0 310.398 0.559 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000177156893 658707436 /nfs/dbraw/zinc/70/74/36/658707436.db2.gz VCCMJWRIAWXVRK-ZDUSSCGKSA-N 1 0 324.425 0.461 10 0 DCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723625923 658838621 /nfs/dbraw/zinc/83/86/21/658838621.db2.gz SYBGEGCVIHSXSL-PDWCTOEPSA-N 1 0 303.424 0.593 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723663898 658897055 /nfs/dbraw/zinc/89/70/55/658897055.db2.gz GZLIIMICRRXQIL-FQUUOJAGSA-N 1 0 302.440 0.815 10 0 DCAERO COC(=O)CC(C)(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000178335827 658961841 /nfs/dbraw/zinc/96/18/41/658961841.db2.gz AEYZUCNRYOUNFQ-LLVKDONJSA-N 1 0 306.428 0.589 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356417978 659150901 /nfs/dbraw/zinc/15/09/01/659150901.db2.gz ACVATTHHEQPGQQ-LBPRGKRZSA-N 1 0 315.439 0.135 10 0 DCAERO Cn1nc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1NC(=O)C1CC1 ZINC000222561661 661620718 /nfs/dbraw/zinc/62/07/18/661620718.db2.gz MPRCJVHSDFLICY-ZDUSSCGKSA-N 1 0 317.393 0.593 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000726801391 661674378 /nfs/dbraw/zinc/67/43/78/661674378.db2.gz WRABARPASRWUBO-LBPRGKRZSA-N 1 0 311.411 0.305 10 0 DCAERO Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]([NH3+])C3CCOCC3)C2)no1 ZINC000261815893 661721918 /nfs/dbraw/zinc/72/19/18/661721918.db2.gz PCVXOFPQBOOYGH-SWLSCSKDSA-N 1 0 322.409 0.913 10 0 DCAERO [NH3+][C@H](C(=O)NCCNC(=O)c1cccs1)C1CCOCC1 ZINC000261975932 661938954 /nfs/dbraw/zinc/93/89/54/661938954.db2.gz LVKHGICRFIOGJJ-LBPRGKRZSA-N 1 0 311.407 0.348 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1ccnc(-n2ccnc2)c1 ZINC000262374620 662356619 /nfs/dbraw/zinc/35/66/19/662356619.db2.gz MCYYQPWWPGBMDE-ZDUSSCGKSA-N 1 0 301.350 0.262 10 0 DCAERO NC(=O)CNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728444744 662395693 /nfs/dbraw/zinc/39/56/93/662395693.db2.gz CXTQMLSKMUJRCF-CYBMUJFWSA-N 1 0 312.483 0.934 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCCc1ccc(Br)cc1 ZINC000202963160 662640109 /nfs/dbraw/zinc/64/01/09/662640109.db2.gz UCDFXYRGWJFLKN-LBPRGKRZSA-N 1 0 314.227 0.997 10 0 DCAERO CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCc3nccn3C2)CC1 ZINC000900408114 663242026 /nfs/dbraw/zinc/24/20/26/663242026.db2.gz VWCYJIGUVKAHHN-HNNXBMFYSA-N 1 0 319.453 0.730 10 0 DCAERO O=C(N[C@H]1CCc2ncsc2C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000910846897 663944330 /nfs/dbraw/zinc/94/43/30/663944330.db2.gz PXIDOLFDERAIQX-LOWVWBTDSA-N 1 0 307.419 0.980 10 0 DCAERO NC(=O)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000911342889 664039504 /nfs/dbraw/zinc/03/95/04/664039504.db2.gz HPYKJXOJFSTXQT-HEHGZKQESA-N 1 0 309.410 0.232 10 0 DCAERO NC(=O)C[C@]1(O)CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000911342890 664039665 /nfs/dbraw/zinc/03/96/65/664039665.db2.gz HPYKJXOJFSTXQT-WOSRLPQWSA-N 1 0 309.410 0.232 10 0 DCAERO Cc1c(C(=O)N(C(=O)[C@H]2CCC[NH2+]C2)C2CC2)nn2c1OCC2 ZINC000223831141 664423682 /nfs/dbraw/zinc/42/36/82/664423682.db2.gz YUIFBAVBKIJZFN-NSHDSACASA-N 1 0 318.377 0.715 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)n1 ZINC000168202450 664521028 /nfs/dbraw/zinc/52/10/28/664521028.db2.gz YFSBQHHOJHEVQQ-HIFRSBDPSA-N 1 0 309.389 0.835 10 0 DCAERO CCn1cnc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1 ZINC000231606881 664630432 /nfs/dbraw/zinc/63/04/32/664630432.db2.gz BSQXHYSITGYKAP-UHFFFAOYSA-N 1 0 300.306 0.415 10 0 DCAERO Nc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)n1 ZINC000261633984 664711802 /nfs/dbraw/zinc/71/18/02/664711802.db2.gz AGJUTRNAMSKPLP-NXEZZACHSA-N 1 0 310.427 0.144 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cn2nc(C(C)(C)C)ccc2=O)CCO1 ZINC000152975383 664785650 /nfs/dbraw/zinc/78/56/50/664785650.db2.gz HLSHYXMVHJFYOU-ZDUSSCGKSA-N 1 0 308.426 0.761 10 0 DCAERO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=COCCC2)CC1 ZINC000731480170 664865806 /nfs/dbraw/zinc/86/58/06/664865806.db2.gz CPJHHRURPBBZBM-UHFFFAOYSA-N 1 0 309.410 0.740 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000170859326 665391382 /nfs/dbraw/zinc/39/13/82/665391382.db2.gz LSAHEUGILYPAJA-MNOVXSKESA-N 1 0 306.453 0.069 10 0 DCAERO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000702657242 666984708 /nfs/dbraw/zinc/98/47/08/666984708.db2.gz RSRRQVGOVXODPQ-KRWDZBQOSA-N 1 0 319.405 0.665 10 0 DCAERO Cn1ncc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1Br ZINC000703583472 667110716 /nfs/dbraw/zinc/11/07/16/667110716.db2.gz XTARYLQFNSSSQA-QPUJVOFHSA-N 1 0 313.199 0.864 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCS(=O)(=O)CC ZINC000120564053 667326937 /nfs/dbraw/zinc/32/69/37/667326937.db2.gz BKVOABBQNYFVEN-LBPRGKRZSA-N 1 0 307.460 0.793 10 0 DCAERO O=C1CCC(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000708218970 667442340 /nfs/dbraw/zinc/44/23/40/667442340.db2.gz DTEGHZLPFRPXJX-LLVKDONJSA-N 1 0 300.424 0.902 10 0 DCAERO C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)CS1 ZINC000709741273 667445005 /nfs/dbraw/zinc/44/50/05/667445005.db2.gz KFNVOHFSLILLTB-RYUDHWBXSA-N 1 0 308.469 0.522 10 0 DCAERO COC[C@]1(C(=O)N[C@H]2CCC[C@@H](SC)C2)C[NH2+]CCO1 ZINC000710739537 667446179 /nfs/dbraw/zinc/44/61/79/667446179.db2.gz CZNBLLWALZRWTO-SCRDCRAPSA-N 1 0 302.440 0.782 10 0 DCAERO CCOC(=O)c1ncc(C[NH2+]CC[C@@]2(O)CCOC2)s1 ZINC000711434914 667464700 /nfs/dbraw/zinc/46/47/00/667464700.db2.gz HEKLPLFHSGVMBI-CYBMUJFWSA-N 1 0 300.380 0.951 10 0 DCAERO Cn1ncc(CN2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)n1 ZINC000886041065 667726814 /nfs/dbraw/zinc/72/68/14/667726814.db2.gz LFOKDSVHJYEVCN-MRXNPFEDSA-N 1 0 316.409 0.925 10 0 DCAERO CC(C)Cn1cc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000886044968 667726821 /nfs/dbraw/zinc/72/68/21/667726821.db2.gz SWFOACXUEIJILV-HNNXBMFYSA-N 1 0 304.398 0.768 10 0 DCAERO Cc1nc(C(=O)N2CCN(CC[NH+](C)C)CC2)c2ccccn12 ZINC000741207957 667761154 /nfs/dbraw/zinc/76/11/54/667761154.db2.gz OQBLQDOPGLZISA-UHFFFAOYSA-N 1 0 315.421 0.962 10 0 DCAERO C[C@@H]1CCCCN1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717052765 667867136 /nfs/dbraw/zinc/86/71/36/667867136.db2.gz WGDHJWCXXGACMQ-GHMZBOCLSA-N 1 0 311.398 0.940 10 0 DCAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC1(CO)COC1 ZINC000717661798 667874352 /nfs/dbraw/zinc/87/43/52/667874352.db2.gz XIRHWVWRCKXPDY-GFCCVEGCSA-N 1 0 300.399 0.984 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccns2)C[C@@H]1C(F)(F)F ZINC000717683178 667875498 /nfs/dbraw/zinc/87/54/98/667875498.db2.gz KMVVJFXWWKXIIY-RQJHMYQMSA-N 1 0 315.342 0.901 10 0 DCAERO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cncc(F)c1 ZINC000717053489 667881559 /nfs/dbraw/zinc/88/15/59/667881559.db2.gz YGBPOLHXCMQMIX-QMMMGPOBSA-N 1 0 309.313 0.744 10 0 DCAERO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000131883044 669693352 /nfs/dbraw/zinc/69/33/52/669693352.db2.gz NOAIAUYFDPWHSG-CYBMUJFWSA-N 1 0 311.407 0.211 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000188437881 670011207 /nfs/dbraw/zinc/01/12/07/670011207.db2.gz AAHNLUWHEMYDAB-CYBMUJFWSA-N 1 0 320.437 0.746 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712641445 670149669 /nfs/dbraw/zinc/14/96/69/670149669.db2.gz XANQMSJYPTYXLJ-UHFFFAOYSA-N 1 0 306.428 0.686 10 0 DCAERO CC1(C)CC[NH2+]CCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000712539951 670150899 /nfs/dbraw/zinc/15/08/99/670150899.db2.gz JQROAIBHZZFORM-CYBMUJFWSA-N 1 0 303.472 0.732 10 0 DCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000713082037 670152834 /nfs/dbraw/zinc/15/28/34/670152834.db2.gz JGHUPAZPYYBPAF-WDEREUQCSA-N 1 0 305.444 0.146 10 0 DCAERO CCn1cnc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000714330873 670183816 /nfs/dbraw/zinc/18/38/16/670183816.db2.gz NGLOYFAOTHPHHC-UHFFFAOYSA-N 1 0 314.333 0.805 10 0 DCAERO CCOC(=O)CC[C@H](O)C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714359899 670184361 /nfs/dbraw/zinc/18/43/61/670184361.db2.gz PDLKQUGTBOLMSO-NWDGAFQWSA-N 1 0 307.412 0.248 10 0 DCAERO COc1ccc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000036750384 670188941 /nfs/dbraw/zinc/18/89/41/670188941.db2.gz NWEAIJFZQVWIMI-GFCCVEGCSA-N 1 0 314.407 0.875 10 0 DCAERO CS(=O)(=O)C1CC([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000715186678 670206261 /nfs/dbraw/zinc/20/62/61/670206261.db2.gz JKIKALLLCMVOIE-UZEXVOJHSA-N 1 0 309.453 0.507 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)s1 ZINC000715851534 670224480 /nfs/dbraw/zinc/22/44/80/670224480.db2.gz BAZTTWJAZACIJL-UHFFFAOYSA-N 1 0 315.420 0.108 10 0 DCAERO C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000113239343 670696583 /nfs/dbraw/zinc/69/65/83/670696583.db2.gz HDQUANJALIJSFX-KGLIPLIRSA-N 1 0 309.410 0.383 10 0 DCAERO C[C@@](O)(C[N@@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000818325182 671004214 /nfs/dbraw/zinc/00/42/14/671004214.db2.gz WZMREXLRHKFTCI-CZUORRHYSA-N 1 0 315.377 0.532 10 0 DCAERO Cn1ccnc(NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)c1=O ZINC000818627358 671037681 /nfs/dbraw/zinc/03/76/81/671037681.db2.gz SGTUNDANXCFSSR-CYBMUJFWSA-N 1 0 301.350 0.528 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(C)c1Br ZINC000389869243 685258726 /nfs/dbraw/zinc/25/87/26/685258726.db2.gz OGQAVCIJHQTPDI-VXNVDRBHSA-N 1 0 301.188 0.910 10 0 DCAERO C[C@@H]1[C@@H](NC(=O)c2c(Br)nnn2C)CC[N@@H+]1C ZINC000719386062 685309859 /nfs/dbraw/zinc/30/98/59/685309859.db2.gz RJFUABJAQPMWIP-RQJHMYQMSA-N 1 0 302.176 0.400 10 0 DCAERO C[C@@H](COCc1ccccc1)CN1CCOC[C@@]1(C[NH3+])CO ZINC000719410291 685310410 /nfs/dbraw/zinc/31/04/10/685310410.db2.gz IGCGJZVZIJGELD-NVXWUHKLSA-N 1 0 308.422 0.861 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000720881743 685316479 /nfs/dbraw/zinc/31/64/79/685316479.db2.gz SZLKDTJSRPNOIM-HTQZYQBOSA-N 1 0 312.317 0.413 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C(F)(F)F ZINC000720892527 685316195 /nfs/dbraw/zinc/31/61/95/685316195.db2.gz MNVIROXZTUAPNV-RKDXNWHRSA-N 1 0 313.276 0.731 10 0 DCAERO COC[C@H](C)S(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720205291 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CC[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247239191 685170289 /nfs/dbraw/zinc/17/02/89/685170289.db2.gz SDIOPBDYLRSABV-LSDHHAIUSA-N 1 0 313.442 0.276 10 0 DCAERO NC(=O)c1ccc(N2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc1 ZINC000270572411 685191734 /nfs/dbraw/zinc/19/17/34/685191734.db2.gz HAAOHZWPNIDQJK-UONOGXRCSA-N 1 0 304.394 0.606 10 0 DCAERO CC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000261841225 1185159850 /nfs/dbraw/zinc/15/98/50/1185159850.db2.gz IRPJNEHAJNQVQQ-AWEZNQCLSA-N 1 0 324.356 0.822 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180915914 1185177373 /nfs/dbraw/zinc/17/73/73/1185177373.db2.gz VBEDOCWVHWANDJ-ZDUSSCGKSA-N 1 0 307.398 0.519 10 0 DCAERO O=S(=O)(NCc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000405183095 774153049 /nfs/dbraw/zinc/15/30/49/774153049.db2.gz YNHIOWJZDBZJGK-UHFFFAOYSA-N 1 0 305.197 0.840 10 0 DCAERO C[C@@](O)(C[NH2+][C@H]1CCN(C(N)=O)C1)C(F)(F)C(F)(F)F ZINC000724117709 946767139 /nfs/dbraw/zinc/76/71/39/946767139.db2.gz 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311.407 0.605 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC[NH2+]CC2)ncn1 ZINC000182366950 199426772 /nfs/dbraw/zinc/42/67/72/199426772.db2.gz IPGQNNWUTLMSHZ-CYBMUJFWSA-N 1 0 318.425 0.603 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000286314210 283340395 /nfs/dbraw/zinc/34/03/95/283340395.db2.gz VNUVJGVLODCEJO-XJKSGUPXSA-N 1 0 303.362 0.252 10 0 DCAERO CN1CCc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc21 ZINC000180544651 199173453 /nfs/dbraw/zinc/17/34/53/199173453.db2.gz PUJZUMXGRZBSRF-CQSZACIVSA-N 1 0 316.405 0.780 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000261712108 283389916 /nfs/dbraw/zinc/38/99/16/283389916.db2.gz VIJYCUPPTJOXJW-KBPBESRZSA-N 1 0 311.426 0.662 10 0 DCAERO [NH3+]C1(C(=O)N2CC[C@H](N3CCOCC3)C2)Cc2ccccc2C1 ZINC000165521155 283398471 /nfs/dbraw/zinc/39/84/71/283398471.db2.gz WRSLMBLRYOQFPG-INIZCTEOSA-N 1 0 315.417 0.416 10 0 DCAERO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000172988859 237151649 /nfs/dbraw/zinc/15/16/49/237151649.db2.gz NDSMDQJSFHCHFL-KGLIPLIRSA-N 1 0 319.471 0.806 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000175602450 237189554 /nfs/dbraw/zinc/18/95/54/237189554.db2.gz JNNOKPXDQNVASC-XQHKEYJVSA-N 1 0 308.426 0.955 10 0 DCAERO C[C@H](CO)N(C[C@H](C)O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190760098 237438249 /nfs/dbraw/zinc/43/82/49/237438249.db2.gz AKEKEGZZFSYMCY-DNDYEEKYSA-N 1 0 315.458 0.880 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153824632 291208683 /nfs/dbraw/zinc/20/86/83/291208683.db2.gz INUXVAJLXGSUCN-ZDUSSCGKSA-N 1 0 317.393 0.704 10 0 DCAERO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261733701 291338039 /nfs/dbraw/zinc/33/80/39/291338039.db2.gz SYFSPOALYZWQMU-NDBYEHHHSA-N 1 0 318.439 0.636 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094340979 193361886 /nfs/dbraw/zinc/36/18/86/193361886.db2.gz JVXWAADZIJEUHI-MFKMUULPSA-N 1 0 311.407 0.404 10 0 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10 0 DCAERO C[N@@H+]1CCO[C@H]2CCN(c3nnnn3-c3ccccc3)C[C@@H]21 ZINC000284392027 131075856 /nfs/dbraw/zinc/07/58/56/131075856.db2.gz AFHYDBVVSFQFSN-KBPBESRZSA-N 1 0 300.366 0.572 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000163954465 132128966 /nfs/dbraw/zinc/12/89/66/132128966.db2.gz ZAKHRUOCUMIRMU-CABCVRRESA-N 1 0 324.469 0.517 10 0 DCAERO [NH3+]CCc1nc2ccccc2c(N2CCS(=O)(=O)CC2)n1 ZINC000065405833 134823987 /nfs/dbraw/zinc/82/39/87/134823987.db2.gz NLYGSBRYADNFPP-UHFFFAOYSA-N 1 0 306.391 0.366 10 0 DCAERO C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000040312332 395733332 /nfs/dbraw/zinc/73/33/32/395733332.db2.gz NWZITVVFNDIZBU-OAHLLOKOSA-N 1 0 303.406 0.755 10 0 DCAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000093193674 395736673 /nfs/dbraw/zinc/73/66/73/395736673.db2.gz NTQWYQLXSPOJAM-RHSMWYFYSA-N 1 0 311.470 0.927 10 0 DCAERO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343122 395738241 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C[NH+]1CCN(c2cc(C(=O)NCCn3cccn3)ccn2)CC1 ZINC000112403954 395817082 /nfs/dbraw/zinc/81/70/82/395817082.db2.gz OSAMGYCLJPTFGB-UHFFFAOYSA-N 1 0 314.393 0.460 10 0 DCAERO COC(=O)c1ccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nn1 ZINC000112556543 395819452 /nfs/dbraw/zinc/81/94/52/395819452.db2.gz WNCGHFKTYDVDCA-LBPRGKRZSA-N 1 0 322.409 0.792 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000118104920 395859438 /nfs/dbraw/zinc/85/94/38/395859438.db2.gz TXRGDWPLQJXOHI-LBPRGKRZSA-N 1 0 316.361 0.330 10 0 DCAERO Cc1nc(C[C@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)no1 ZINC000195518366 395830416 /nfs/dbraw/zinc/83/04/16/395830416.db2.gz PHFDCMKQYRHPEA-LLVKDONJSA-N 1 0 309.370 0.608 10 0 DCAERO CN1C[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1=O ZINC000115418031 395840094 /nfs/dbraw/zinc/84/00/94/395840094.db2.gz CVRAIBOLOKGSRZ-ZDUSSCGKSA-N 1 0 307.369 0.982 10 0 DCAERO CN1C[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1=O ZINC000115418028 395840174 /nfs/dbraw/zinc/84/01/74/395840174.db2.gz CVRAIBOLOKGSRZ-CYBMUJFWSA-N 1 0 307.369 0.982 10 0 DCAERO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCOCC1 ZINC000115796681 395841680 /nfs/dbraw/zinc/84/16/80/395841680.db2.gz CCEXGGBXRNPCPB-HUUCEWRRSA-N 1 0 312.458 0.690 10 0 DCAERO Cc1ccc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000117049057 395850647 /nfs/dbraw/zinc/85/06/47/395850647.db2.gz ONVITCMAYXIMBU-HNNXBMFYSA-N 1 0 306.410 0.905 10 0 DCAERO C[NH+]1CCN(c2nc3ccc(F)cc3c(CC(N)=O)n2)CC1 ZINC000117719851 395854651 /nfs/dbraw/zinc/85/46/51/395854651.db2.gz XSFAKTMSIASLSC-UHFFFAOYSA-N 1 0 303.341 0.549 10 0 DCAERO CC(C)[C@@H](NC(N)=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000194558846 395799492 /nfs/dbraw/zinc/79/94/92/395799492.db2.gz IJCUXLKCDXZOGR-GFCCVEGCSA-N 1 0 316.365 0.576 10 0 DCAERO COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H](C)[NH3+])C2)c1 ZINC000237212597 395907168 /nfs/dbraw/zinc/90/71/68/395907168.db2.gz SHDKNWBOACLGLV-VXGBXAGGSA-N 1 0 307.394 0.994 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)C(N)=O ZINC000127963593 395916402 /nfs/dbraw/zinc/91/64/02/395916402.db2.gz AYYZDVOUBKXFCL-CQSZACIVSA-N 1 0 320.437 0.970 10 0 DCAERO O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238091148 395921555 /nfs/dbraw/zinc/92/15/55/395921555.db2.gz VKHZYVKFYHXQFA-RYUDHWBXSA-N 1 0 323.359 0.490 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCN1C(=O)NC(C)(C)C1=O ZINC000245414694 395927954 /nfs/dbraw/zinc/92/79/54/395927954.db2.gz COOKOONYHWOERB-STQMWFEESA-N 1 0 308.426 0.875 10 0 DCAERO Nc1cc(N)[nH+]c(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000053450940 395884237 /nfs/dbraw/zinc/88/42/37/395884237.db2.gz DSDMLPUTUXDKRC-UWVGGRQHSA-N 1 0 323.422 0.903 10 0 DCAERO COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000245605663 395933560 /nfs/dbraw/zinc/93/35/60/395933560.db2.gz MGMXVORZAVXGTI-RYUDHWBXSA-N 1 0 308.382 0.683 10 0 DCAERO CC(C)[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(N)=O ZINC000134897893 395935597 /nfs/dbraw/zinc/93/55/97/395935597.db2.gz FMLXKTHVJRGIDM-HUUCEWRRSA-N 1 0 320.437 0.968 10 0 DCAERO 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/nfs/dbraw/zinc/94/99/46/395949946.db2.gz CSQKGSPOILZFOI-CHWSQXEVSA-N 1 0 313.467 0.928 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](C)N2CCOCC2)C1 ZINC000246473100 395950405 /nfs/dbraw/zinc/95/04/05/395950405.db2.gz QUPBFJKTUJAACL-ILXRZTDVSA-N 1 0 312.458 0.879 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)NCC(F)(F)F ZINC000246622364 395954279 /nfs/dbraw/zinc/95/42/79/395954279.db2.gz JZTBUKYDBPVPKG-AEJSXWLSSA-N 1 0 307.316 0.702 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C)[nH]n2)CC1=O ZINC000246815338 395958669 /nfs/dbraw/zinc/95/86/69/395958669.db2.gz CHARXWQLEGFODI-STQMWFEESA-N 1 0 319.409 0.989 10 0 DCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246867285 395959351 /nfs/dbraw/zinc/95/93/51/395959351.db2.gz NWEXTYZQMRNTQF-KBPBESRZSA-N 1 0 313.442 0.596 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246864789 395959480 /nfs/dbraw/zinc/95/94/80/395959480.db2.gz FVDRVXYEHHRTSO-STQMWFEESA-N 1 0 318.439 0.828 10 0 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/nfs/dbraw/zinc/98/97/94/395989794.db2.gz AKBROCYQQOLZMI-SFTQSGBHSA-N 1 0 300.399 0.847 10 0 DCAERO CC[C@H]1CN(C(=O)NCCOC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248587505 395990454 /nfs/dbraw/zinc/99/04/54/395990454.db2.gz GKJIVCAXDOXFBY-KBPBESRZSA-N 1 0 301.431 0.898 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCOC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248587506 395990612 /nfs/dbraw/zinc/99/06/12/395990612.db2.gz GKJIVCAXDOXFBY-UONOGXRCSA-N 1 0 301.431 0.898 10 0 DCAERO CCCCOCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248642215 395991884 /nfs/dbraw/zinc/99/18/84/395991884.db2.gz RMXCMYPTDXCKAF-KGLIPLIRSA-N 1 0 301.431 0.900 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCOCC2CC2)C[C@H]1C ZINC000248632364 395992347 /nfs/dbraw/zinc/99/23/47/395992347.db2.gz PLGPVFFWIMYERN-KGLIPLIRSA-N 1 0 313.442 0.900 10 0 DCAERO Cc1cc(CC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)[nH]n1 ZINC000153331436 396024264 /nfs/dbraw/zinc/02/42/64/396024264.db2.gz PWOFODDGWIJFQU-ZDUSSCGKSA-N 1 0 306.410 0.972 10 0 DCAERO C[NH+](C)CCCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000153796155 396026567 /nfs/dbraw/zinc/02/65/67/396026567.db2.gz YRCONWJHZLPORR-LBPRGKRZSA-N 1 0 310.398 0.165 10 0 DCAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000067653084 396030167 /nfs/dbraw/zinc/03/01/67/396030167.db2.gz BQPNNCSLPXRXHQ-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257188881 396034640 /nfs/dbraw/zinc/03/46/40/396034640.db2.gz GWZAKKOQYIJGSL-HOCLYGCPSA-N 1 0 324.425 0.018 10 0 DCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000261845970 396071887 /nfs/dbraw/zinc/07/18/87/396071887.db2.gz CYZMQJNORNKENJ-JKSUJKDBSA-N 1 0 303.406 0.490 10 0 DCAERO COc1ccc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000155344044 396050366 /nfs/dbraw/zinc/05/03/66/396050366.db2.gz SVRMHSATECGFKI-HNNXBMFYSA-N 1 0 307.394 0.896 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000155392541 396051099 /nfs/dbraw/zinc/05/10/99/396051099.db2.gz DGJCXLLCUSSXIE-QWRGUYRKSA-N 1 0 310.398 0.162 10 0 DCAERO [NH3+][C@@H](C(=O)NCCC(=O)NCc1ccccc1)C1CCOCC1 ZINC000261640884 396051938 /nfs/dbraw/zinc/05/19/38/396051938.db2.gz DNCBTMOPGZDSJR-MRXNPFEDSA-N 1 0 319.405 0.563 10 0 DCAERO COC(=O)c1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261854707 396072699 /nfs/dbraw/zinc/07/26/99/396072699.db2.gz FAYNYNJFMQIBJA-UHFFFAOYSA-N 1 0 305.378 0.337 10 0 DCAERO O=C(CCC1CC[NH2+]CC1)N1CCN(c2cccnn2)CC1 ZINC000155956327 396060358 /nfs/dbraw/zinc/06/03/58/396060358.db2.gz MCYHLFZRHQQFHS-UHFFFAOYSA-N 1 0 303.410 0.905 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000156136688 396061002 /nfs/dbraw/zinc/06/10/02/396061002.db2.gz VJNSLGUEDXBVGU-PWSUYJOCSA-N 1 0 311.407 0.547 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000261761438 396062786 /nfs/dbraw/zinc/06/27/86/396062786.db2.gz OGZCXDXELLNKAI-MRVPVSSYSA-N 1 0 304.343 0.499 10 0 DCAERO CN(CCCNC(=O)[C@@H]([NH3+])C1CCOCC1)CC(F)(F)F ZINC000261774335 396064037 /nfs/dbraw/zinc/06/40/37/396064037.db2.gz MOAAZCSKQAVGCX-NSHDSACASA-N 1 0 311.348 0.741 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1nc2ncccn2n1 ZINC000261794881 396066272 /nfs/dbraw/zinc/06/62/72/396066272.db2.gz VAAMAEWHDYJHGC-UHFFFAOYSA-N 1 0 324.388 0.697 10 0 DCAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000249716064 396011992 /nfs/dbraw/zinc/01/19/92/396011992.db2.gz IMQONBUHNABHRZ-QLFBSQMISA-N 1 0 300.399 0.143 10 0 DCAERO C[C@H]1C[NH+](CCCNC(=O)c2cc(C(N)=O)cn2C)C[C@H](C)O1 ZINC000152624802 396014109 /nfs/dbraw/zinc/01/41/09/396014109.db2.gz FTDLJBCCDKEOJM-RYUDHWBXSA-N 1 0 322.409 0.353 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CN(c3ccc4nnc(C5CC5)n4n3)C[C@@H]21 ZINC000153155338 396021642 /nfs/dbraw/zinc/02/16/42/396021642.db2.gz CEJNUIFBVJFFMP-NWDGAFQWSA-N 1 0 300.366 0.521 10 0 DCAERO COc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000262019681 396090580 /nfs/dbraw/zinc/09/05/80/396090580.db2.gz XKESLTAFHYQOAD-UHFFFAOYSA-N 1 0 309.341 0.338 10 0 DCAERO CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170845349 396098715 /nfs/dbraw/zinc/09/87/15/396098715.db2.gz VFSATFICLYMDEO-AWEZNQCLSA-N 1 0 318.377 0.746 10 0 DCAERO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cnc(N)s3)C2)n[nH]1 ZINC000262123886 396101383 /nfs/dbraw/zinc/10/13/83/396101383.db2.gz XOQWJPCYYRJVPJ-MRVPVSSYSA-N 1 0 306.395 0.927 10 0 DCAERO O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262135433 396102999 /nfs/dbraw/zinc/10/29/99/396102999.db2.gz GVHUTMKVYZHRHB-RISCZKNCSA-N 1 0 319.336 0.720 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000262269085 396116630 /nfs/dbraw/zinc/11/66/30/396116630.db2.gz KGCMJEIAYLZGLX-HIFRSBDPSA-N 1 0 317.389 0.935 10 0 DCAERO CSCC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000171804737 396125237 /nfs/dbraw/zinc/12/52/37/396125237.db2.gz PJXDPYQSUGFCRY-UHFFFAOYSA-N 1 0 309.435 0.957 10 0 DCAERO [NH3+]CC1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CCOCC1 ZINC000262334696 396126031 /nfs/dbraw/zinc/12/60/31/396126031.db2.gz 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ZINC000261867216 396074526 /nfs/dbraw/zinc/07/45/26/396074526.db2.gz SQYXFAAAQQIEBU-HNNXBMFYSA-N 1 0 306.362 0.828 10 0 DCAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000261940260 396082027 /nfs/dbraw/zinc/08/20/27/396082027.db2.gz LEVAFBPJRNMBPK-KGLIPLIRSA-N 1 0 305.378 0.620 10 0 DCAERO CCN1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c2ccccc21 ZINC000263240431 396208578 /nfs/dbraw/zinc/20/85/78/396208578.db2.gz LBISEIALCVZMIP-INIZCTEOSA-N 1 0 318.421 0.959 10 0 DCAERO Cc1nn(C)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1Br ZINC000263306173 396212910 /nfs/dbraw/zinc/21/29/10/396212910.db2.gz XYJLOQZJLGIOSZ-WPRPVWTQSA-N 1 0 303.204 0.161 10 0 DCAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000262545991 396153849 /nfs/dbraw/zinc/15/38/49/396153849.db2.gz SBOKBFCDELMTGK-MISXGVKJSA-N 1 0 323.343 0.663 10 0 DCAERO NC(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000176640105 396158142 /nfs/dbraw/zinc/15/81/42/396158142.db2.gz LCXQIDBRSXBVHZ-NSHDSACASA-N 1 0 306.366 0.758 10 0 DCAERO CN(CC(=O)NC1CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262586246 396158470 /nfs/dbraw/zinc/15/84/70/396158470.db2.gz ZTGITFRASYMORJ-PVXIVEMSSA-N 1 0 309.410 0.256 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCCn2ncnc21 ZINC000176601679 396158515 /nfs/dbraw/zinc/15/85/15/396158515.db2.gz MMNZZWOHTBWYMM-STQMWFEESA-N 1 0 322.413 0.259 10 0 DCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000262619650 396162935 /nfs/dbraw/zinc/16/29/35/396162935.db2.gz HPTRYZIYXIWOBK-NOZJJQNGSA-N 1 0 304.354 0.983 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000262628712 396164435 /nfs/dbraw/zinc/16/44/35/396164435.db2.gz RUXJEUHKAGACBU-GHMZBOCLSA-N 1 0 301.346 0.526 10 0 DCAERO COc1cc(NC(=O)[C@@H]2CC[NH2+]C2)c(C(=O)N(C)C)cc1OC ZINC000262654303 396168224 /nfs/dbraw/zinc/16/82/24/396168224.db2.gz YIXDGNBKHJYCJE-SNVBAGLBSA-N 1 0 321.377 0.954 10 0 DCAERO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C1([NH3+])CCCC1 ZINC000262655635 396168483 /nfs/dbraw/zinc/16/84/83/396168483.db2.gz CLJDBADBQLGGQB-UHFFFAOYSA-N 1 0 303.366 0.527 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262772577 396180709 /nfs/dbraw/zinc/18/07/09/396180709.db2.gz MQCFJPZTIMETKD-BDAKNGLRSA-N 1 0 318.420 0.811 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177685210 396181061 /nfs/dbraw/zinc/18/10/61/396181061.db2.gz VLECOZKNPYDBCW-NSHDSACASA-N 1 0 304.350 0.335 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177680759 396181238 /nfs/dbraw/zinc/18/12/38/396181238.db2.gz HURRWWDCUIGPBG-GFCCVEGCSA-N 1 0 318.377 0.725 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1=O ZINC000262795232 396183034 /nfs/dbraw/zinc/18/30/34/396183034.db2.gz PIBYQMHURZPBCW-UHFFFAOYSA-N 1 0 300.318 0.019 10 0 DCAERO [NH3+]Cc1cc(C(=O)NC[C@H]2CCCN2c2cccnn2)co1 ZINC000262807205 396183772 /nfs/dbraw/zinc/18/37/72/396183772.db2.gz TUYCGBZGIPUEHT-GFCCVEGCSA-N 1 0 301.350 0.927 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262814074 396184444 /nfs/dbraw/zinc/18/44/44/396184444.db2.gz YXHPHDBYIAZCQP-WCBMZHEXSA-N 1 0 302.352 0.343 10 0 DCAERO COc1ncnc(OC)c1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263298566 396212995 /nfs/dbraw/zinc/21/29/95/396212995.db2.gz WTGKQNPRWDTDAZ-QMMMGPOBSA-N 1 0 306.326 0.120 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262831357 396186117 /nfs/dbraw/zinc/18/61/17/396186117.db2.gz QJGAHAIGBXZYAI-ZYHUDNBSSA-N 1 0 316.361 0.216 10 0 DCAERO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860107 396188131 /nfs/dbraw/zinc/18/81/31/396188131.db2.gz WEVVHLBGKAWGLF-LSDHHAIUSA-N 1 0 324.469 0.517 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178708151 396204741 /nfs/dbraw/zinc/20/47/41/396204741.db2.gz IJNIBASBPPPWMK-HNNXBMFYSA-N 1 0 316.405 0.898 10 0 DCAERO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C ZINC000182661562 396252804 /nfs/dbraw/zinc/25/28/04/396252804.db2.gz KCSYCLDHZHXKIM-SNVBAGLBSA-N 1 0 307.398 0.458 10 0 DCAERO C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@H](CO)C2)([NH+](C)C)C1 ZINC000078905634 396257983 /nfs/dbraw/zinc/25/79/83/396257983.db2.gz WGUHQSMCVOHOAZ-IJEWVQPXSA-N 1 0 313.442 0.900 10 0 DCAERO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000183169544 396264087 /nfs/dbraw/zinc/26/40/87/396264087.db2.gz UGNLUSHVYKRZDC-FZMZJTMJSA-N 1 0 314.407 0.870 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183622504 396272525 /nfs/dbraw/zinc/27/25/25/396272525.db2.gz WZALUXQCLJHMBQ-VXGBXAGGSA-N 1 0 314.430 0.296 10 0 DCAERO C[NH+](C)CCC1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183799658 396275530 /nfs/dbraw/zinc/27/55/30/396275530.db2.gz GAQVOQUKJCVYRM-UHFFFAOYSA-N 1 0 310.442 0.886 10 0 DCAERO Cn1ccnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1=O ZINC000183883940 396276580 /nfs/dbraw/zinc/27/65/80/396276580.db2.gz YSGINZLUXFIMDO-GFCCVEGCSA-N 1 0 305.382 0.872 10 0 DCAERO CCN(CC1CC1)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000183876739 396276730 /nfs/dbraw/zinc/27/67/30/396276730.db2.gz QINTZKSZONUHHA-CQSZACIVSA-N 1 0 319.471 0.664 10 0 DCAERO COc1ccc(CN(C)C(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179172099 396223293 /nfs/dbraw/zinc/22/32/93/396223293.db2.gz GACDYIQRNVVADT-KGLIPLIRSA-N 1 0 308.378 0.081 10 0 DCAERO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000185191612 396320992 /nfs/dbraw/zinc/32/09/92/396320992.db2.gz XONZZJOCDZPDPA-ZJUUUORDSA-N 1 0 318.361 0.703 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000184823086 396307944 /nfs/dbraw/zinc/30/79/44/396307944.db2.gz BCVUXTFTOMKZDS-CABCVRRESA-N 1 0 319.405 0.945 10 0 DCAERO Cc1noc(CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000185888889 396336558 /nfs/dbraw/zinc/33/65/58/396336558.db2.gz PAZCRLIDLSDWEN-WDEREUQCSA-N 1 0 311.386 0.017 10 0 DCAERO COCC1=CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000185835088 396335263 /nfs/dbraw/zinc/33/52/63/396335263.db2.gz KFMXCFOLAXDISO-LBPRGKRZSA-N 1 0 309.410 0.390 10 0 DCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000284743082 396346403 /nfs/dbraw/zinc/34/64/03/396346403.db2.gz XZSHABNCCPPGTD-QWHCGFSZSA-N 1 0 318.373 0.754 10 0 DCAERO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000186724862 396355958 /nfs/dbraw/zinc/35/59/58/396355958.db2.gz IAPVDZYDNFFHHL-DGCLKSJQSA-N 1 0 317.455 0.162 10 0 DCAERO Cc1ccn(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(=O)c1 ZINC000285896131 396360494 /nfs/dbraw/zinc/36/04/94/396360494.db2.gz SOFHDDMOCNRIJB-KBPBESRZSA-N 1 0 305.378 0.088 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H](OCCO)C1 ZINC000187394089 396368819 /nfs/dbraw/zinc/36/88/19/396368819.db2.gz LTANDGDHYIHPPB-KBPBESRZSA-N 1 0 301.431 0.900 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3(O)CCC3)CC2)nc1 ZINC000186433716 396349785 /nfs/dbraw/zinc/34/97/85/396349785.db2.gz AROQJVDRWPIBMC-UHFFFAOYSA-N 1 0 318.421 0.707 10 0 DCAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)[N@H+](C)C1CC1 ZINC000188841480 396387230 /nfs/dbraw/zinc/38/72/30/396387230.db2.gz AMYQNRNGVSAXTE-LLVKDONJSA-N 1 0 308.426 0.779 10 0 DCAERO CN1CCC(CNC(=O)N2CC(CO)C2)([NH+]2CCCCC2)CC1 ZINC000189319720 396393155 /nfs/dbraw/zinc/39/31/55/396393155.db2.gz YWJXJLCGLUFCTQ-UHFFFAOYSA-N 1 0 324.469 0.570 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000189823343 396400364 /nfs/dbraw/zinc/40/03/64/396400364.db2.gz SGHAILUJZRUDGN-ZIAGYGMSSA-N 1 0 302.440 0.959 10 0 DCAERO CCN(C)C(=O)[C@H](C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000190084715 396402008 /nfs/dbraw/zinc/40/20/08/396402008.db2.gz DRHZOCZSVYFYEU-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000190603397 396408784 /nfs/dbraw/zinc/40/87/84/396408784.db2.gz ZKYCAVKPQJDODR-HNNXBMFYSA-N 1 0 318.483 0.998 10 0 DCAERO CCN(CCC[NH+](C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000190851711 396412700 /nfs/dbraw/zinc/41/27/00/396412700.db2.gz IWQFPLNEFOUOTL-BETUJISGSA-N 1 0 307.460 0.614 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191035155 396414638 /nfs/dbraw/zinc/41/46/38/396414638.db2.gz GPXDOQLMDREFPW-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000191558131 396421213 /nfs/dbraw/zinc/42/12/13/396421213.db2.gz FWBOENGKYREKIJ-JSGCOSHPSA-N 1 0 311.426 0.613 10 0 DCAERO COc1ccnc(NC2CC[NH+](CC3(CO)COC3)CC2)n1 ZINC000192856525 396438932 /nfs/dbraw/zinc/43/89/32/396438932.db2.gz OGIGKTUTXOQEFU-UHFFFAOYSA-N 1 0 308.382 0.370 10 0 DCAERO Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H]1CCCCO1 ZINC000580905590 396510298 /nfs/dbraw/zinc/51/02/98/396510298.db2.gz MWZPFVGFRZKYRO-LSDHHAIUSA-N 1 0 321.425 0.676 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000528755300 396565375 /nfs/dbraw/zinc/56/53/75/396565375.db2.gz GMOQVAJHQSONOF-YMEQNVIZSA-N 1 0 311.426 0.515 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000585733833 396651321 /nfs/dbraw/zinc/65/13/21/396651321.db2.gz IOFWGQBYZPUJON-CYBMUJFWSA-N 1 0 317.455 0.403 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCSC[C@@H]1CCO ZINC000561143679 396631142 /nfs/dbraw/zinc/63/11/42/396631142.db2.gz AXLSYDHBWBQELI-KWCYVHTRSA-N 1 0 313.467 0.979 10 0 DCAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nn2c(nccc2=O)s1 ZINC000302550254 396720276 /nfs/dbraw/zinc/72/02/76/396720276.db2.gz QBMDJQSJDMREOB-SNVBAGLBSA-N 1 0 323.422 0.432 10 0 DCAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000309738742 396759598 /nfs/dbraw/zinc/75/95/98/396759598.db2.gz RGZYBRACNGJOAR-JKSUJKDBSA-N 1 0 303.406 0.613 10 0 DCAERO CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375784899 396819817 /nfs/dbraw/zinc/81/98/17/396819817.db2.gz JDOWWPWKPWVTLK-JKXDFHQYSA-N 1 0 322.453 0.267 10 0 DCAERO Cn1cc(CC(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000328644537 396829557 /nfs/dbraw/zinc/82/95/57/396829557.db2.gz RTYGDTHEVBKUPR-HNNXBMFYSA-N 1 0 306.410 0.532 10 0 DCAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329323554 396843129 /nfs/dbraw/zinc/84/31/29/396843129.db2.gz VCBWBHBKASMJOG-BARDWOONSA-N 1 0 323.437 0.707 10 0 DCAERO COC(=O)[C@@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000611522328 396878133 /nfs/dbraw/zinc/87/81/33/396878133.db2.gz LZDYUYYXLUQNNU-INIZCTEOSA-N 1 0 318.377 0.833 10 0 DCAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000611578778 396889007 /nfs/dbraw/zinc/88/90/07/396889007.db2.gz VIDSOFBFIVHNLD-KFWWJZLASA-N 1 0 315.410 0.961 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)CC[N@@H+]1C ZINC000332793530 396895236 /nfs/dbraw/zinc/89/52/36/396895236.db2.gz NSIJHBHJGSVMSM-IHRRRGAJSA-N 1 0 306.414 0.935 10 0 DCAERO CN(CC1C[NH+](C)C1)C(=O)c1c(Br)cnn1C ZINC000618189386 396918547 /nfs/dbraw/zinc/91/85/47/396918547.db2.gz HQXACXBMWZMANU-UHFFFAOYSA-N 1 0 301.188 0.816 10 0 DCAERO CS(=O)(=O)C[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333746465 396931079 /nfs/dbraw/zinc/93/10/79/396931079.db2.gz YISWBKGIGPOYTM-CHWSQXEVSA-N 1 0 317.455 0.737 10 0 DCAERO Cc1cccc2c1OC[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC000333701403 396931168 /nfs/dbraw/zinc/93/11/68/396931168.db2.gz DJSGCOFPCFBXKR-RDBSUJKOSA-N 1 0 305.378 0.273 10 0 DCAERO NC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000601017911 396990407 /nfs/dbraw/zinc/99/04/07/396990407.db2.gz PJUHYDDTSQXHPD-GOOCMWNKSA-N 1 0 316.405 0.967 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000630944568 397143945 /nfs/dbraw/zinc/14/39/45/397143945.db2.gz BRNRFMWFJDQRAR-KKUMJFAQSA-N 1 0 309.410 0.055 10 0 DCAERO CC(=O)CSCC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898915 397277607 /nfs/dbraw/zinc/27/76/07/397277607.db2.gz NHTSFZMDFORVDO-UHFFFAOYSA-N 1 0 300.424 0.632 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000408349320 397353662 /nfs/dbraw/zinc/35/36/62/397353662.db2.gz OPNGVEXEHUTULU-STQMWFEESA-N 1 0 306.428 0.196 10 0 DCAERO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000578653264 397467040 /nfs/dbraw/zinc/46/70/40/397467040.db2.gz WDAHTUMCUSIBLY-ZJUUUORDSA-N 1 0 317.436 0.222 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2ncnc3[nH]ccc32)[N@H+](C)C1 ZINC000614627148 397484582 /nfs/dbraw/zinc/48/45/82/397484582.db2.gz SAMYYPNOGHODLE-QWRGUYRKSA-N 1 0 303.366 0.701 10 0 DCAERO O=C(NCCC[NH+]1CCC(O)CC1)c1cn2cccnc2n1 ZINC000605543364 397667272 /nfs/dbraw/zinc/66/72/72/397667272.db2.gz YJYWTLGTYRHVJX-UHFFFAOYSA-N 1 0 303.366 0.306 10 0 DCAERO CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCCC2 ZINC000333435291 286258602 /nfs/dbraw/zinc/25/86/02/286258602.db2.gz VFSXBWZEXIECQW-IGQOVBAYSA-N 1 0 311.426 0.698 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000408380667 286620626 /nfs/dbraw/zinc/62/06/26/286620626.db2.gz BQFYQMIJFLGIQC-CHWSQXEVSA-N 1 0 317.455 0.449 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000068223492 158042511 /nfs/dbraw/zinc/04/25/11/158042511.db2.gz OAXCCAWATHMGLL-SNVBAGLBSA-N 1 0 317.411 0.633 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000072798180 158052113 /nfs/dbraw/zinc/05/21/13/158052113.db2.gz JPNVWTQOCAHKDY-HNNXBMFYSA-N 1 0 309.454 0.680 10 0 DCAERO CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC1CC(O)C1)C(=O)OC ZINC000091491038 158107423 /nfs/dbraw/zinc/10/74/23/158107423.db2.gz IZWXCZOQTLDHDR-NPZBDFSRSA-N 1 0 300.399 0.393 10 0 DCAERO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696495 158120829 /nfs/dbraw/zinc/12/08/29/158120829.db2.gz CRGXRNYUHMFNTD-QWHCGFSZSA-N 1 0 300.428 0.533 10 0 DCAERO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000093990972 158122347 /nfs/dbraw/zinc/12/23/47/158122347.db2.gz USMNBIXCNJMRCC-KGLIPLIRSA-N 1 0 310.442 0.979 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000097174561 158125382 /nfs/dbraw/zinc/12/53/82/158125382.db2.gz DEILFHYHIBLOID-CABCVRRESA-N 1 0 312.458 0.738 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000103162385 158128318 /nfs/dbraw/zinc/12/83/18/158128318.db2.gz KEUALFIUNFJFEP-BETUJISGSA-N 1 0 305.444 0.368 10 0 DCAERO Cc1nc(CN2CCC[N@@H+](CCC(=O)NC(C)C)CC2)no1 ZINC000105866951 158131486 /nfs/dbraw/zinc/13/14/86/158131486.db2.gz BXSCNSLFNUHENI-UHFFFAOYSA-N 1 0 309.414 0.800 10 0 DCAERO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000113510349 158147329 /nfs/dbraw/zinc/14/73/29/158147329.db2.gz KQSWISUWCOPKGD-ZBFHGGJFSA-N 1 0 322.405 0.644 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)CS(=O)(=O)CC ZINC000113591101 158149327 /nfs/dbraw/zinc/14/93/27/158149327.db2.gz SLPXXSSJXWCACD-NEPJUHHUSA-N 1 0 307.460 0.839 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000116787182 158166584 /nfs/dbraw/zinc/16/65/84/158166584.db2.gz FIECKVDLPOFAPU-HNNXBMFYSA-N 1 0 315.377 0.670 10 0 DCAERO CC(C)(C)CCNC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889637 158167015 /nfs/dbraw/zinc/16/70/15/158167015.db2.gz FLKRTGVUPOPFQW-NSHDSACASA-N 1 0 305.444 0.162 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000116787179 158167577 /nfs/dbraw/zinc/16/75/77/158167577.db2.gz FIECKVDLPOFAPU-OAHLLOKOSA-N 1 0 315.377 0.670 10 0 DCAERO Cc1nn(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000116785555 158167697 /nfs/dbraw/zinc/16/76/97/158167697.db2.gz GVRZGZMQBWQJRW-GFCCVEGCSA-N 1 0 314.817 0.942 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCO1 ZINC000116900218 158168862 /nfs/dbraw/zinc/16/88/62/158168862.db2.gz XVNVYUGQSKHLTL-AWEZNQCLSA-N 1 0 316.398 0.918 10 0 DCAERO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000119118318 158182835 /nfs/dbraw/zinc/18/28/35/158182835.db2.gz FRSUMCXNYZNHGW-LLVKDONJSA-N 1 0 321.343 0.903 10 0 DCAERO CNC(=O)CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000120304732 158197113 /nfs/dbraw/zinc/19/71/13/158197113.db2.gz OJFOZZCPTPCDFW-UHFFFAOYSA-N 1 0 318.421 0.057 10 0 DCAERO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000124857132 158247493 /nfs/dbraw/zinc/24/74/93/158247493.db2.gz MNMFVRJYQVUMIW-WQGACYEGSA-N 1 0 305.378 0.438 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N[C@H]3CC[NH2+]C3)CC2)n1 ZINC000126515833 158266938 /nfs/dbraw/zinc/26/69/38/158266938.db2.gz HACCVBWNWPTACE-LBPRGKRZSA-N 1 0 305.382 0.180 10 0 DCAERO CC1CC[NH+](CCNC(=O)NC[C@@]2(CCO)CCOC2)CC1 ZINC000128242036 158279739 /nfs/dbraw/zinc/27/97/39/158279739.db2.gz YVQKKZKUSHYVPS-MRXNPFEDSA-N 1 0 313.442 0.807 10 0 DCAERO CS(=O)(=O)c1ccc(NC(=O)c2ccnc(C[NH3+])c2)cn1 ZINC000130020634 158293843 /nfs/dbraw/zinc/29/38/43/158293843.db2.gz QYQASNLWUNXUSB-UHFFFAOYSA-N 1 0 306.347 0.591 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000132881646 158313959 /nfs/dbraw/zinc/31/39/59/158313959.db2.gz KLFHXPIXKRTQPZ-CYBMUJFWSA-N 1 0 315.443 0.320 10 0 DCAERO CC[C@@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1CCOC ZINC000133329552 158318164 /nfs/dbraw/zinc/31/81/64/158318164.db2.gz JZTDAMMGZZEOOB-CYBMUJFWSA-N 1 0 310.398 0.395 10 0 DCAERO CCOCC[N@@H+]1CCN(c2cncc(OCCO)n2)C[C@H]1CC ZINC000133331319 158318211 /nfs/dbraw/zinc/31/82/11/158318211.db2.gz WIPVASNJRUQKCT-CQSZACIVSA-N 1 0 324.425 0.785 10 0 DCAERO Cc1c(CCC(=O)NC[C@H]2CN(C3CC3)CCO2)cnn1C ZINC000134813450 158331174 /nfs/dbraw/zinc/33/11/74/158331174.db2.gz LHEYGDWPWYEEJG-HNNXBMFYSA-N 1 0 306.410 0.641 10 0 DCAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000135579283 158338359 /nfs/dbraw/zinc/33/83/59/158338359.db2.gz VRZYAUSYRTVCJG-DZGCQCFKSA-N 1 0 308.426 0.422 10 0 DCAERO O=C1OCC[C@H]1CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135710867 158340273 /nfs/dbraw/zinc/34/02/73/158340273.db2.gz BMEJXQHJDYOJCV-CHWSQXEVSA-N 1 0 316.423 0.440 10 0 DCAERO COc1cccc([C@H](O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000164563653 158364026 /nfs/dbraw/zinc/36/40/26/158364026.db2.gz YGDZCHWVQROSMB-CABCVRRESA-N 1 0 308.378 0.518 10 0 DCAERO COCC[NH2+]CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000167972599 158371355 /nfs/dbraw/zinc/37/13/55/158371355.db2.gz 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158469944 /nfs/dbraw/zinc/46/99/44/158469944.db2.gz VXGVEICBDRPSGZ-NSHDSACASA-N 1 0 307.398 0.507 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000261609120 158722269 /nfs/dbraw/zinc/72/22/69/158722269.db2.gz DPABLHFIKVIONW-JTQLQIEISA-N 1 0 311.407 0.482 10 0 DCAERO Cn1cnc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000262042188 158767140 /nfs/dbraw/zinc/76/71/40/158767140.db2.gz PHPQJMVDWSHIIJ-UHFFFAOYSA-N 1 0 308.407 0.612 10 0 DCAERO CCOc1cccc2c1OCC(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)=C2 ZINC000262115776 158774862 /nfs/dbraw/zinc/77/48/62/158774862.db2.gz FQCGMXAPDBGNLN-KBPBESRZSA-N 1 0 318.373 0.558 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000262258586 158790429 /nfs/dbraw/zinc/79/04/29/158790429.db2.gz LZGPTFWXKQHFKN-ISVAXAHUSA-N 1 0 305.309 0.390 10 0 DCAERO CCn1cc(Br)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262419654 158811494 /nfs/dbraw/zinc/81/14/94/158811494.db2.gz ZYSKUAPVZGDDCJ-GZMMTYOYSA-N 1 0 316.199 0.581 10 0 DCAERO O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262530828 158821549 /nfs/dbraw/zinc/82/15/49/158821549.db2.gz NJHKOPDQCSUSRO-AGIUHOORSA-N 1 0 315.439 0.059 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2Cn2ccnc2C)[N@H+](C)C1 ZINC000329024091 159052875 /nfs/dbraw/zinc/05/28/75/159052875.db2.gz NCJIRZHYRUFLKH-ILXRZTDVSA-N 1 0 306.410 0.902 10 0 DCAERO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000329074008 159057688 /nfs/dbraw/zinc/05/76/88/159057688.db2.gz BCUKYCONXWGMJU-PBHICJAKSA-N 1 0 321.421 0.199 10 0 DCAERO C[C@@H]1CN(C(=O)c2csnn2)CCN1C1CC[NH+](C)CC1 ZINC000329096931 159060911 /nfs/dbraw/zinc/06/09/11/159060911.db2.gz LJZCEPFTNRZFPB-LLVKDONJSA-N 1 0 309.439 0.779 10 0 DCAERO O=C(c1cnc2n(c1=O)CCS2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329106112 159062024 /nfs/dbraw/zinc/06/20/24/159062024.db2.gz DFODBVFUOIMXMR-JTQLQIEISA-N 1 0 306.391 0.269 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000329293566 159080224 /nfs/dbraw/zinc/08/02/24/159080224.db2.gz RQFIUIKEUUKOGH-GFCCVEGCSA-N 1 0 303.366 0.258 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329416166 159090630 /nfs/dbraw/zinc/09/06/30/159090630.db2.gz FPLRYYAFGSTFTG-SRVKXCTJSA-N 1 0 309.439 0.848 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)nn1 ZINC000329505666 159097984 /nfs/dbraw/zinc/09/79/84/159097984.db2.gz HJUTTZPAASNVCD-IACUBPJLSA-N 1 0 323.397 0.031 10 0 DCAERO CC(C)n1nnnc1CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646571 159109415 /nfs/dbraw/zinc/10/94/15/159109415.db2.gz IZKMVDOEKXGKEO-SNVBAGLBSA-N 1 0 318.385 0.456 10 0 DCAERO Cc1cc(-n2cncn2)ccc1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367185154 159320225 /nfs/dbraw/zinc/32/02/25/159320225.db2.gz IIBJOXBCQGMQBX-CABCVRRESA-N 1 0 313.361 0.389 10 0 DCAERO Cn1cc(-c2ncc(C[NH2+][C@H]3CC(=O)N(C4CC4)C3)cn2)cn1 ZINC000368445942 159395546 /nfs/dbraw/zinc/39/55/46/159395546.db2.gz IWDLCIPHTPEKSM-ZDUSSCGKSA-N 1 0 312.377 0.730 10 0 DCAERO 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C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC1(O)CCOCC1 ZINC000162275778 416015041 /nfs/dbraw/zinc/01/50/41/416015041.db2.gz ISODYKUUUFGZTO-ZDUSSCGKSA-N 1 0 320.455 0.131 10 0 DCAERO CC[N@H+](CCNC(=O)N1CCC(C(=O)N(C)C)CC1)C1CC1 ZINC000171251032 416038705 /nfs/dbraw/zinc/03/87/05/416038705.db2.gz GUIOSDVROSUNLY-UHFFFAOYSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000174768628 416085966 /nfs/dbraw/zinc/08/59/66/416085966.db2.gz XHBZEMONMMXBOT-OLZOCXBDSA-N 1 0 324.425 0.650 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccn(C)n2)CC1 ZINC000175364628 416104694 /nfs/dbraw/zinc/10/46/94/416104694.db2.gz SAMWTTJBRHJDOM-LBPRGKRZSA-N 1 0 309.414 0.977 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)CC ZINC000176612997 416130210 /nfs/dbraw/zinc/13/02/10/416130210.db2.gz ZVTQIDJJPGSHIQ-GFCCVEGCSA-N 1 0 305.444 0.259 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCc3nnc[nH]3)CC2)CCO1 ZINC000176849958 416137089 /nfs/dbraw/zinc/13/70/89/416137089.db2.gz 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ZINC000358045193 416177374 /nfs/dbraw/zinc/17/73/74/416177374.db2.gz HLFAURZQSXYCEE-CYBMUJFWSA-N 1 0 310.398 0.672 10 0 DCAERO CN(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000179045412 416181071 /nfs/dbraw/zinc/18/10/71/416181071.db2.gz YTEQFNOILZILKT-HZPDHXFCSA-N 1 0 315.417 0.898 10 0 DCAERO O=C(CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000181853629 416211658 /nfs/dbraw/zinc/21/16/58/416211658.db2.gz OXVOLLNFPSKOIE-UHFFFAOYSA-N 1 0 324.425 0.115 10 0 DCAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358231820 416215985 /nfs/dbraw/zinc/21/59/85/416215985.db2.gz UFTOGAMDSYARKZ-CYBMUJFWSA-N 1 0 302.371 0.479 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330643468 416220961 /nfs/dbraw/zinc/22/09/61/416220961.db2.gz FEBMEPABYRJIJH-GUTXKFCHSA-N 1 0 311.426 0.613 10 0 DCAERO COc1n[nH]c(NC(=O)CC2([NH+]3CCOCC3)CCCC2)n1 ZINC000182997077 416234738 /nfs/dbraw/zinc/23/47/38/416234738.db2.gz DXIPHILVNPHXAR-UHFFFAOYSA-N 1 0 309.370 0.787 10 0 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/nfs/dbraw/zinc/27/34/03/416273403.db2.gz CMKOLFGNLXNZGV-AWEZNQCLSA-N 1 0 319.405 0.767 10 0 DCAERO CCc1onc(C)c1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190050681 416274360 /nfs/dbraw/zinc/27/43/60/416274360.db2.gz VNRHQXSWMZYEOW-SNVBAGLBSA-N 1 0 324.381 0.009 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)o1 ZINC000183188249 416236445 /nfs/dbraw/zinc/23/64/45/416236445.db2.gz ZDZRICLQWUUEGN-LBPRGKRZSA-N 1 0 302.396 0.848 10 0 DCAERO COC(=O)CCN(Cc1nc(N(C)C)no1)C[C@H]1CCCO1 ZINC000192721300 416310552 /nfs/dbraw/zinc/31/05/52/416310552.db2.gz PNTVQARSWOZSSX-LLVKDONJSA-N 1 0 312.370 0.680 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000194020702 416321381 /nfs/dbraw/zinc/32/13/81/416321381.db2.gz NDIPOFZHPCNBTO-OCCSQVGLSA-N 1 0 310.442 0.932 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000342123569 416283560 /nfs/dbraw/zinc/28/35/60/416283560.db2.gz WWZKJFGTANIWLN-JHJVBQTASA-N 1 0 311.430 0.559 10 0 DCAERO CC(=O)NC1CN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000191731567 416289084 /nfs/dbraw/zinc/28/90/84/416289084.db2.gz BMECOWVYQTVGRL-KRWDZBQOSA-N 1 0 303.406 0.226 10 0 DCAERO CC[C@@H]1CN([C@@H](C(N)=O)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247204236 416332616 /nfs/dbraw/zinc/33/26/16/416332616.db2.gz PGGIJXDFRZYBSH-NUEKZKHPSA-N 1 0 305.422 0.990 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000248428905 416333352 /nfs/dbraw/zinc/33/33/52/416333352.db2.gz PQOPHMPZXAPMTL-OLZOCXBDSA-N 1 0 306.410 0.675 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000248325494 416333431 /nfs/dbraw/zinc/33/34/31/416333431.db2.gz BHNNGKVFAXWGRQ-AGIUHOORSA-N 1 0 319.409 0.704 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC[NH2+]1 ZINC000262381312 416336903 /nfs/dbraw/zinc/33/69/03/416336903.db2.gz NUHDNHUBIWXIPU-WHOFXGATSA-N 1 0 301.390 0.813 10 0 DCAERO CN1C(=O)C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccnc1 ZINC000195253003 416325939 /nfs/dbraw/zinc/32/59/39/416325939.db2.gz FYAJLWOQOORLNK-KNCOVGOOSA-N 1 0 314.389 0.279 10 0 DCAERO O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195324930 416326164 /nfs/dbraw/zinc/32/61/64/416326164.db2.gz LLQUPTKXHCVGHK-GFCCVEGCSA-N 1 0 301.346 0.938 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1nc(C(F)(F)F)ns1 ZINC000228788244 416328017 /nfs/dbraw/zinc/32/80/17/416328017.db2.gz UJZWCPGTIFNBOJ-UHFFFAOYSA-N 1 0 309.317 0.425 10 0 DCAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000359927186 416366718 /nfs/dbraw/zinc/36/67/18/416366718.db2.gz UPOTZBXLENLDRS-AGIUHOORSA-N 1 0 307.460 0.660 10 0 DCAERO Cn1ccc(N2CC[C@H]([NH2+]Cc3cnn4ccccc34)C2=O)n1 ZINC000360093430 416370091 /nfs/dbraw/zinc/37/00/91/416370091.db2.gz RMOOCWOBVJFOCN-ZDUSSCGKSA-N 1 0 310.361 0.963 10 0 DCAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000360802257 416411172 /nfs/dbraw/zinc/41/11/72/416411172.db2.gz SEQYPOLNPMTIKM-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)[nH]n1 ZINC000458545055 416479242 /nfs/dbraw/zinc/47/92/42/416479242.db2.gz FLHSWKGPAZZFQP-TZMCWYRMSA-N 1 0 323.441 0.795 10 0 DCAERO c1cn2nnnc2c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000535837430 416531606 /nfs/dbraw/zinc/53/16/06/416531606.db2.gz GAKLMYXHEINILV-CYBMUJFWSA-N 1 0 317.397 0.601 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)NCCC[NH+]1CCCC1 ZINC000436388029 416555788 /nfs/dbraw/zinc/55/57/88/416555788.db2.gz LYSJJIKEOMBDHJ-INIZCTEOSA-N 1 0 307.394 0.201 10 0 DCAERO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000534865731 416508902 /nfs/dbraw/zinc/50/89/02/416508902.db2.gz WNPROHOBQIRMHG-BZUAXINKSA-N 1 0 317.426 0.670 10 0 DCAERO C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1[NH3+] ZINC000423942765 416596647 /nfs/dbraw/zinc/59/66/47/416596647.db2.gz FTVRGCUGPPABLL-SCZZXKLOSA-N 1 0 314.183 0.416 10 0 DCAERO CC[C@H](C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)N1CCCC1=O ZINC000548018863 416685271 /nfs/dbraw/zinc/68/52/71/416685271.db2.gz 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ZINC000440942941 416653320 /nfs/dbraw/zinc/65/33/20/416653320.db2.gz GWURNZUOANQMIR-QWHCGFSZSA-N 1 0 300.399 0.491 10 0 DCAERO CC[C@@H](C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)N1CCCC1=O ZINC000548018864 416685314 /nfs/dbraw/zinc/68/53/14/416685314.db2.gz IZPXTCYYIICWFY-RYUDHWBXSA-N 1 0 305.382 0.757 10 0 DCAERO Cc1noc(C)c1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000557886733 416753664 /nfs/dbraw/zinc/75/36/64/416753664.db2.gz UISZUSZASZVOCU-UHFFFAOYSA-N 1 0 310.398 0.360 10 0 DCAERO O=C1CC[N@H+](C[C@H](O)COCc2ccc3c(c2)OCO3)CCN1 ZINC000368960481 416710524 /nfs/dbraw/zinc/71/05/24/416710524.db2.gz MRJDZRYTFMOADH-ZDUSSCGKSA-N 1 0 322.361 0.115 10 0 DCAERO CCN(CCC(F)(F)F)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916724 416797963 /nfs/dbraw/zinc/79/79/63/416797963.db2.gz CSNHXTJLANLEMQ-VIFPVBQESA-N 1 0 304.334 0.579 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000631968587 416837961 /nfs/dbraw/zinc/83/79/61/416837961.db2.gz VZVQQBBGEGELTL-BDAKNGLRSA-N 1 0 312.420 0.907 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000369911996 416843990 /nfs/dbraw/zinc/84/39/90/416843990.db2.gz ZCYMCZGHWBILJM-OAHLLOKOSA-N 1 0 310.442 0.444 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(F)cc1F ZINC000624395938 417026360 /nfs/dbraw/zinc/02/63/60/417026360.db2.gz VLCCXAFUVQNSSW-UHFFFAOYSA-N 1 0 308.350 0.821 10 0 DCAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000624415476 417035767 /nfs/dbraw/zinc/03/57/67/417035767.db2.gz LRQKQSSESBDVQZ-JOYOIKCWSA-N 1 0 318.420 0.119 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000522200463 417055227 /nfs/dbraw/zinc/05/52/27/417055227.db2.gz ARKXKJVAAZAJII-CHWSQXEVSA-N 1 0 317.455 0.401 10 0 DCAERO CC(=O)CCCCCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632416139 417074698 /nfs/dbraw/zinc/07/46/98/417074698.db2.gz LLPZQWWVGGMEQP-ZDUSSCGKSA-N 1 0 306.428 0.386 10 0 DCAERO COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)CC2 ZINC000408039444 417135297 /nfs/dbraw/zinc/13/52/97/417135297.db2.gz 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CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000633196327 417388365 /nfs/dbraw/zinc/38/83/65/417388365.db2.gz PMYBBKRYFRLEHS-ZNMIVQPWSA-N 1 0 309.410 0.319 10 0 DCAERO NC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)nn1 ZINC000643862218 417403426 /nfs/dbraw/zinc/40/34/26/417403426.db2.gz PVTCBHSPGIEKHQ-CYBMUJFWSA-N 1 0 301.350 0.316 10 0 DCAERO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)CN1CCOCC1 ZINC000634962974 417551086 /nfs/dbraw/zinc/55/10/86/417551086.db2.gz GNISEJKJKJLZNZ-KGLIPLIRSA-N 1 0 304.456 0.512 10 0 DCAERO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)[NH+](C)C ZINC000439757077 287389125 /nfs/dbraw/zinc/38/91/25/287389125.db2.gz NZYJIYYMMVJLCW-LLVKDONJSA-N 1 0 318.377 0.428 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 ZINC000631337073 417856302 /nfs/dbraw/zinc/85/63/02/417856302.db2.gz AONYQPVJZMIECM-AWEZNQCLSA-N 1 0 306.410 0.551 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662715518 417869693 /nfs/dbraw/zinc/86/96/93/417869693.db2.gz 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/nfs/dbraw/zinc/52/44/03/272524403.db2.gz WBIIWUNCLYOGJS-WDEREUQCSA-N 1 0 320.393 0.850 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-n2cnnn2)cc1 ZINC000180583385 274259706 /nfs/dbraw/zinc/25/97/06/274259706.db2.gz HYUNOJUUHYNQSG-DGCLKSJQSA-N 1 0 310.365 0.919 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(CO)c2)C[C@H]1C ZINC000185995874 274268175 /nfs/dbraw/zinc/26/81/75/274268175.db2.gz IRDVTNHDKIMALM-ZIAGYGMSSA-N 1 0 321.421 0.775 10 0 DCAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000262013216 276259345 /nfs/dbraw/zinc/25/93/45/276259345.db2.gz VTKVORPXYNHMKN-BYNSBNAKSA-N 1 0 310.442 0.537 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000246324092 276338910 /nfs/dbraw/zinc/33/89/10/276338910.db2.gz CWZRCXASILXGAV-JHJVBQTASA-N 1 0 319.471 0.934 10 0 DCAERO CN1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1=O ZINC000172559324 276794488 /nfs/dbraw/zinc/79/44/88/276794488.db2.gz NQPPOZDAPNFAQM-HUUCEWRRSA-N 1 0 318.421 0.689 10 0 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/nfs/dbraw/zinc/07/77/44/278077744.db2.gz AXRVKAUNCQMOTH-RYUDHWBXSA-N 1 0 312.439 0.883 10 0 DCAERO CS[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1[NH+](C)C ZINC000375429631 278150807 /nfs/dbraw/zinc/15/08/07/278150807.db2.gz ZFSKUTBDIZJZIU-JIMOISOXSA-N 1 0 309.439 0.414 10 0 DCAERO CC(=O)N[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172749449 278164631 /nfs/dbraw/zinc/16/46/31/278164631.db2.gz RBAPNUYCCBXPTK-CQSZACIVSA-N 1 0 324.469 0.578 10 0 DCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000091556855 278263782 /nfs/dbraw/zinc/26/37/82/278263782.db2.gz QOPDKYNCWKATMJ-HNNXBMFYSA-N 1 0 305.426 0.709 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173784742 278342531 /nfs/dbraw/zinc/34/25/31/278342531.db2.gz BIELXPUDAVKABF-HOTGVXAUSA-N 1 0 324.469 0.834 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000186734841 278563196 /nfs/dbraw/zinc/56/31/96/278563196.db2.gz FSHVYDUFDAYADT-PWSUYJOCSA-N 1 0 322.434 0.927 10 0 DCAERO CCC[C@H](C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC000121520101 278918354 /nfs/dbraw/zinc/91/83/54/278918354.db2.gz IWURJOCLWKTGPR-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1CCCS1(=O)=O ZINC000120962899 278969104 /nfs/dbraw/zinc/96/91/04/278969104.db2.gz FFLPFGVLBYDHRC-LBPRGKRZSA-N 1 0 305.444 0.114 10 0 DCAERO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000249400132 279067116 /nfs/dbraw/zinc/06/71/16/279067116.db2.gz BVHIUHWUMDIQPQ-PMPSAXMXSA-N 1 0 300.443 0.863 10 0 DCAERO Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])sc1S(N)(=O)=O ZINC000261564496 279090719 /nfs/dbraw/zinc/09/07/19/279090719.db2.gz CUGPEABMWHGERT-IONNQARKSA-N 1 0 304.441 0.663 10 0 DCAERO C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000186885763 279234596 /nfs/dbraw/zinc/23/45/96/279234596.db2.gz GJUFLCPDPXDJNZ-UTUOFQBUSA-N 1 0 322.409 0.354 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171048297 279321277 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/nfs/dbraw/zinc/33/70/34/295337034.db2.gz XWCYYJNNAIQDMO-GJZGRUSLSA-N 1 0 322.453 0.271 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000245436636 297097754 /nfs/dbraw/zinc/09/77/54/297097754.db2.gz VOFYLUPZJJQFMC-OLZOCXBDSA-N 1 0 314.451 0.896 10 0 DCAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251501371 304628047 /nfs/dbraw/zinc/62/80/47/304628047.db2.gz FINWIPQYODDIMD-QLFBSQMISA-N 1 0 306.410 0.940 10 0 DCAERO O=S(=O)([C@@H]1CCCOC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333857090 304768926 /nfs/dbraw/zinc/76/89/26/304768926.db2.gz OWSRIJCCILBNNN-MJBXVCDLSA-N 1 0 302.440 0.959 10 0 DCAERO CNC(=O)[C@@H](CNC1=[NH+]CCCN1)Cc1ccc(F)cc1C ZINC000570816688 332822840 /nfs/dbraw/zinc/82/28/40/332822840.db2.gz UBJIJNBWJAVZJY-CYBMUJFWSA-N 1 0 306.385 0.978 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)CCNS(C)(=O)=O)CC1 ZINC000178853759 332323200 /nfs/dbraw/zinc/32/32/00/332323200.db2.gz YMIWVDNQMUTBFP-UHFFFAOYSA-N 1 0 305.444 0.162 10 0 DCAERO CC(C)C[C@@H](CNC(=O)CNC(=O)c1cccnc1)[NH+](C)C ZINC000129705671 519210528 /nfs/dbraw/zinc/21/05/28/519210528.db2.gz WINXXDNVHKQXPC-AWEZNQCLSA-N 1 0 306.410 0.904 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1nc2ccccn2c1=O ZINC000155473061 534443009 /nfs/dbraw/zinc/44/30/09/534443009.db2.gz SUMUBMVEQDMKHM-TXEJJXNPSA-N 1 0 303.366 0.047 10 0 DCAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000227734195 519817684 /nfs/dbraw/zinc/81/76/84/519817684.db2.gz NACHCEGLTFBWCK-FRRDWIJNSA-N 1 0 307.460 0.646 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)CN2CCCC2=O)C[C@@H]1CC ZINC000116770957 519913998 /nfs/dbraw/zinc/91/39/98/519913998.db2.gz WFUIGOYRHJBYEY-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261974359 521528629 /nfs/dbraw/zinc/52/86/29/521528629.db2.gz QYIGFGVJKLFOBA-KGLIPLIRSA-N 1 0 321.425 0.050 10 0 DCAERO C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000152832974 521752520 /nfs/dbraw/zinc/75/25/20/521752520.db2.gz QMFBORTTZJSSCA-NSHDSACASA-N 1 0 324.406 0.236 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000156545713 522049512 /nfs/dbraw/zinc/04/95/12/522049512.db2.gz MTRWSJRFANOTAZ-SNVBAGLBSA-N 1 0 315.324 0.249 10 0 DCAERO COc1cc2c(cc1OC)CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000364200099 523021754 /nfs/dbraw/zinc/02/17/54/523021754.db2.gz FWSOFAGDMUDBPG-MRXNPFEDSA-N 1 0 320.389 0.619 10 0 DCAERO CCc1onc(C)c1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000132174447 523046706 /nfs/dbraw/zinc/04/67/06/523046706.db2.gz CDTAUAHWONSTIY-NSHDSACASA-N 1 0 324.381 0.273 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)NC[C@@H](O)C(C)C)CC1 ZINC000154561424 523298906 /nfs/dbraw/zinc/29/89/06/523298906.db2.gz DSEJQAACDRUPGF-CQSZACIVSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000157943656 524819656 /nfs/dbraw/zinc/81/96/56/524819656.db2.gz RVQMAXPNILMEJT-LURJTMIESA-N 1 0 311.816 0.143 10 0 DCAERO O=S(=O)(CC1CCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000178590082 534857507 /nfs/dbraw/zinc/85/75/07/534857507.db2.gz RGZNTQLWGXKARQ-AWEZNQCLSA-N 1 0 304.456 0.943 10 0 DCAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2CCOCC2)C1 ZINC000246861593 526373263 /nfs/dbraw/zinc/37/32/63/526373263.db2.gz MBBYXDUIIXUREL-WTXIUTQJSA-N 1 0 307.438 0.840 10 0 DCAERO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000245632284 526558325 /nfs/dbraw/zinc/55/83/25/526558325.db2.gz TZIRTRAVKFKEBM-HOTGVXAUSA-N 1 0 319.405 0.664 10 0 DCAERO O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262428280 526631366 /nfs/dbraw/zinc/63/13/66/526631366.db2.gz BHKWLNYLOYVOGH-MDZLAQPJSA-N 1 0 318.295 0.276 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187529423 529088697 /nfs/dbraw/zinc/08/86/97/529088697.db2.gz KPIBTQIKUBAMFO-MFKMUULPSA-N 1 0 308.382 0.906 10 0 DCAERO CC(C)[NH2+][C@H](Cn1cc(I)cn1)C(N)=O ZINC000070678725 545663901 /nfs/dbraw/zinc/66/39/01/545663901.db2.gz OBBHUNFUTWRUTO-MRVPVSSYSA-N 1 0 322.150 0.340 10 0 DCAERO NC(=O)[C@]1([NH3+])CC[C@H](n2cc(I)cn2)C1 ZINC000086627139 545706809 /nfs/dbraw/zinc/70/68/09/545706809.db2.gz FFJZGGWZZZWWNT-CBAPKCEASA-N 1 0 320.134 0.396 10 0 DCAERO CC1(OCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)C[NH2+]C1 ZINC000098060663 545729431 /nfs/dbraw/zinc/72/94/31/545729431.db2.gz AAAHCZKKETWQTL-UHFFFAOYSA-N 1 0 313.379 0.375 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CCS(=O)(=O)CC1 ZINC000126938072 545773663 /nfs/dbraw/zinc/77/36/63/545773663.db2.gz WGSNIAKQZJMFKE-LBPRGKRZSA-N 1 0 319.471 0.841 10 0 DCAERO C[C@@]1(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCC[NH2+]1 ZINC000136165867 545806762 /nfs/dbraw/zinc/80/67/62/545806762.db2.gz NPMIBVRHVFRMDI-AAEUAGOBSA-N 1 0 303.428 0.059 10 0 DCAERO C[C@]1(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCC[NH2+]1 ZINC000136165832 545807278 /nfs/dbraw/zinc/80/72/78/545807278.db2.gz NPMIBVRHVFRMDI-WCQYABFASA-N 1 0 303.428 0.059 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](CO)C3)ccn2)CC1 ZINC000152193599 545823556 /nfs/dbraw/zinc/82/35/56/545823556.db2.gz DMBZPVDUZMKVPQ-CQSZACIVSA-N 1 0 318.421 0.678 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154432579 545837508 /nfs/dbraw/zinc/83/75/08/545837508.db2.gz XZYSCKQNEHHWCK-LBPRGKRZSA-N 1 0 321.429 0.300 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)NCCCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000176484533 545888286 /nfs/dbraw/zinc/88/82/86/545888286.db2.gz ZUMOVZQNKZNMPS-OLZOCXBDSA-N 1 0 308.426 0.923 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178830055 545897100 /nfs/dbraw/zinc/89/71/00/545897100.db2.gz WGJMPVQIMRFTSU-GFCCVEGCSA-N 1 0 307.398 0.739 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000193685345 545930971 /nfs/dbraw/zinc/93/09/71/545930971.db2.gz QCKRECSRSUVTJY-SNVBAGLBSA-N 1 0 308.407 0.563 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nc(C)[nH]c2=O)C1 ZINC000194642714 545933493 /nfs/dbraw/zinc/93/34/93/545933493.db2.gz SODUVIRDODQTQI-ZDUSSCGKSA-N 1 0 306.410 0.920 10 0 DCAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000226335086 545943666 /nfs/dbraw/zinc/94/36/66/545943666.db2.gz AYZJXUYFLZSRNW-RNJOBUHISA-N 1 0 305.444 0.400 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000227722123 545944573 /nfs/dbraw/zinc/94/45/73/545944573.db2.gz BRGROBTZYAEQHV-CYBMUJFWSA-N 1 0 306.391 0.965 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1C ZINC000248385515 545968683 /nfs/dbraw/zinc/96/86/83/545968683.db2.gz IVJMCJCOMZGZGA-STQMWFEESA-N 1 0 307.442 0.970 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1sccc1Br ZINC000262086007 545978304 /nfs/dbraw/zinc/97/83/04/545978304.db2.gz CQNFGJDEYYTDTQ-SVRRBLITSA-N 1 0 305.197 0.821 10 0 DCAERO CC(C)n1ncc2cc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cnc21 ZINC000262117538 545979032 /nfs/dbraw/zinc/97/90/32/545979032.db2.gz FRZAOEJDLZPTAC-CHWSQXEVSA-N 1 0 303.366 0.322 10 0 DCAERO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262202605 545980144 /nfs/dbraw/zinc/98/01/44/545980144.db2.gz IGMPBYYPHADYQV-RDJZCZTQSA-N 1 0 316.401 0.835 10 0 DCAERO O=C(CCC(=O)c1ccc(F)cc1F)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262146554 545980223 /nfs/dbraw/zinc/98/02/23/545980223.db2.gz HNTQVLMWPUPIQG-XPTSAGLGSA-N 1 0 312.316 0.624 10 0 DCAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262209223 545980493 /nfs/dbraw/zinc/98/04/93/545980493.db2.gz IRYNYNXASFNSOF-DWZYQQQCSA-N 1 0 317.389 0.591 10 0 DCAERO O=C(COc1ccc(F)c(Cl)c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262215546 545980826 /nfs/dbraw/zinc/98/08/26/545980826.db2.gz JDDNAEZJEYWIBG-UFBFGSQYSA-N 1 0 302.733 0.554 10 0 DCAERO C/C=C/c1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262238845 545981004 /nfs/dbraw/zinc/98/10/04/545981004.db2.gz KTVRQMPPVHUGLB-PUWCWTCHSA-N 1 0 320.389 0.804 10 0 DCAERO C[C@@H]1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)ccn2)C1 ZINC000262252063 545981950 /nfs/dbraw/zinc/98/19/50/545981950.db2.gz LPYOIYJWYXIHOL-KWCYVHTRSA-N 1 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/nfs/dbraw/zinc/98/50/58/545985058.db2.gz XJDHGCRPQFYYNV-GXSJLCMTSA-N 1 0 304.375 0.515 10 0 DCAERO CN1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCC1=O ZINC000333685248 546088911 /nfs/dbraw/zinc/08/89/11/546088911.db2.gz ZZAYWRNIDMOTAT-QLFBSQMISA-N 1 0 316.405 0.662 10 0 DCAERO CC(C)(C)NC(=O)NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073764 547659233 /nfs/dbraw/zinc/65/92/33/547659233.db2.gz UEKYDWUUTWMPQW-MFKMUULPSA-N 1 0 303.428 0.251 10 0 DCAERO CC(C)(C)OC(=O)N1CCN[C@@H](c2cnnn2[C@H]2CC[NH2+]C2)C1 ZINC000685952190 548748824 /nfs/dbraw/zinc/74/88/24/548748824.db2.gz ZVFHWVQVIBETLL-NWDGAFQWSA-N 1 0 322.413 0.694 10 0 DCAERO COc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC000888093924 661158127 /nfs/dbraw/zinc/15/81/27/661158127.db2.gz IEPBSLAABVAXSE-MNOVXSKESA-N 1 0 305.338 0.507 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353369646 665448815 /nfs/dbraw/zinc/44/88/15/665448815.db2.gz CLTISDHUBRQOKH-UONOGXRCSA-N 1 0 311.451 0.756 10 0 DCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000262333969 657548117 /nfs/dbraw/zinc/54/81/17/657548117.db2.gz RXVRRSLYKNQBQG-LBPRGKRZSA-N 1 0 316.379 0.022 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC(CO)(CO)C1)C(F)(F)C(F)(F)F ZINC000724060989 657932473 /nfs/dbraw/zinc/93/24/73/657932473.db2.gz HLFQFZNWHCJRAD-MRVPVSSYSA-N 1 0 307.259 0.612 10 0 DCAERO Cc1nccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)n1 ZINC000261989014 657936744 /nfs/dbraw/zinc/93/67/44/657936744.db2.gz BESIHNUFIWRJQF-WOSRLPQWSA-N 1 0 304.394 0.934 10 0 DCAERO CN1CCOC[C@H]1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724100095 657962834 /nfs/dbraw/zinc/96/28/34/657962834.db2.gz BTFAPKRPSKQTCG-RKDXNWHRSA-N 1 0 306.275 0.855 10 0 DCAERO CN[C@@H](C(=O)NC[C@H](O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000262044466 658212160 /nfs/dbraw/zinc/21/21/60/658212160.db2.gz GRHAWLXYKOQKJI-UONOGXRCSA-N 1 0 306.341 0.670 10 0 DCAERO O=S(=O)(/C=C\c1ccc(F)cc1)NCCN1CC[NH2+]CC1 ZINC000255048001 658428255 /nfs/dbraw/zinc/42/82/55/658428255.db2.gz 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C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCn1cncn1 ZINC000155330445 291219133 /nfs/dbraw/zinc/21/91/33/291219133.db2.gz FZBALRAZIQQSDR-OAHLLOKOSA-N 1 0 301.394 0.957 10 0 DCAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)c1cccnc1 ZINC000163034787 291245843 /nfs/dbraw/zinc/24/58/43/291245843.db2.gz XIAZJZUVTPSEER-AWEZNQCLSA-N 1 0 304.394 0.754 10 0 DCAERO Cc1nc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(=O)[nH]c1C ZINC000567661900 291367431 /nfs/dbraw/zinc/36/74/31/291367431.db2.gz ONRCBPQTDSTBLK-SNVBAGLBSA-N 1 0 304.394 0.991 10 0 DCAERO CC(=O)NCC(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275281939 212246701 /nfs/dbraw/zinc/24/67/01/212246701.db2.gz KSWZIDNRIZXQKR-CYBMUJFWSA-N 1 0 304.394 0.980 10 0 DCAERO CCN(C(=O)CN(C)CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000261684952 284147417 /nfs/dbraw/zinc/14/74/17/284147417.db2.gz IOEOKCKBNFUFMN-UHFFFAOYSA-N 1 0 324.469 0.531 10 0 DCAERO C[N@H+](CCNC(=O)N1CCN(c2cccnn2)CC1)C1CC1 ZINC000264812260 204175403 /nfs/dbraw/zinc/17/54/03/204175403.db2.gz GKNOQIVYMQSZFK-UHFFFAOYSA-N 1 0 304.398 0.402 10 0 DCAERO COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)O1 ZINC000189235813 284376619 /nfs/dbraw/zinc/37/66/19/284376619.db2.gz MGOJARQFHWRSDI-UONOGXRCSA-N 1 0 310.394 0.794 10 0 DCAERO COc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)c(OC)c1 ZINC000020008577 182177163 /nfs/dbraw/zinc/17/71/63/182177163.db2.gz MUFZQVINBOKXAY-SNVBAGLBSA-N 1 0 302.396 0.904 10 0 DCAERO COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C[NH3+] ZINC000020189911 182195338 /nfs/dbraw/zinc/19/53/38/182195338.db2.gz POFSDUPOEMOKMK-LLVKDONJSA-N 1 0 300.380 0.611 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)n2cc3c(n2)[C@@H]([NH3+])CCC3)CC1 ZINC000573110823 291611733 /nfs/dbraw/zinc/61/17/33/291611733.db2.gz FGNNSIIRGFDUSJ-FZMZJTMJSA-N 1 0 319.409 0.471 10 0 DCAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037798301 182926544 /nfs/dbraw/zinc/92/65/44/182926544.db2.gz GLFZDYBIHLZKGY-JQWIXIFHSA-N 1 0 300.305 0.969 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CCO1 ZINC000041161936 183179335 /nfs/dbraw/zinc/17/93/35/183179335.db2.gz LAZQGOJCDULSFX-QMMMGPOBSA-N 1 0 310.297 0.452 10 0 DCAERO [NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1 ZINC000044167050 183397431 /nfs/dbraw/zinc/39/74/31/183397431.db2.gz DVIZSWRIEANYLP-GZBFAFLISA-N 1 0 317.345 0.368 10 0 DCAERO CN1CCN([C@H](CNC2=[NH+]CCCN2)c2cccs2)CC1 ZINC000574475892 291697836 /nfs/dbraw/zinc/69/78/36/291697836.db2.gz FEGACSKTZLCSBP-CYBMUJFWSA-N 1 0 307.467 0.976 10 0 DCAERO CC(=O)NCCC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865978 194149312 /nfs/dbraw/zinc/14/93/12/194149312.db2.gz BTYPDPSBNUGYPY-UHFFFAOYSA-N 1 0 307.442 0.681 10 0 DCAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882777 194155353 /nfs/dbraw/zinc/15/53/53/194155353.db2.gz ZZURSBIPMKVEFW-LBPRGKRZSA-N 1 0 322.413 0.614 10 0 DCAERO Cc1cccc(OC[C@@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105904644 194166962 /nfs/dbraw/zinc/16/69/62/194166962.db2.gz JCSPVTBSLQXMQP-DOTOQJQBSA-N 1 0 308.422 0.997 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCc3sccc3C2)CCO1 ZINC000105927009 194172530 /nfs/dbraw/zinc/17/25/30/194172530.db2.gz DJOXCSHYGQWUIX-CQSZACIVSA-N 1 0 323.462 0.895 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000106425125 194211220 /nfs/dbraw/zinc/21/12/20/194211220.db2.gz OJMDMNCTEGOIBY-INIZCTEOSA-N 1 0 305.422 0.608 10 0 DCAERO C[C@@H]1C(=O)NCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000106540195 194227478 /nfs/dbraw/zinc/22/74/78/194227478.db2.gz VILSSTNKNZYOTB-UKRRQHHQSA-N 1 0 318.421 0.689 10 0 DCAERO CCC[NH+]1CCC(CNS(=O)(=O)CCC(=O)OCC)CC1 ZINC000109844354 194292596 /nfs/dbraw/zinc/29/25/96/194292596.db2.gz LCRVNDUTURRJCR-UHFFFAOYSA-N 1 0 320.455 0.981 10 0 DCAERO Cc1nn(C)c(C)c1CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000178975167 252610428 /nfs/dbraw/zinc/61/04/28/252610428.db2.gz JSIGJSMSCOCYQL-OAHLLOKOSA-N 1 0 311.430 0.191 10 0 DCAERO CN([C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000333888847 252773052 /nfs/dbraw/zinc/77/30/52/252773052.db2.gz WOUBQTTUFPCBJE-KKUMJFAQSA-N 1 0 307.369 0.586 10 0 DCAERO CC[NH+]1CCC(C(=O)N2Cc3ccnn3[C@H](C(=O)NC)C2)CC1 ZINC000249703431 257106812 /nfs/dbraw/zinc/10/68/12/257106812.db2.gz ZXBACCCGMNORMC-AWEZNQCLSA-N 1 0 319.409 0.244 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NC3CCC3)C2)cn1 ZINC000248159837 257107161 /nfs/dbraw/zinc/10/71/61/257107161.db2.gz XDNPECFWHWGDQN-PMPSAXMXSA-N 1 0 318.421 0.926 10 0 DCAERO CC[NH+]1CCC(C(=O)N2Cc3ccnn3C[C@@H](OC)C2)CC1 ZINC000249681599 257107626 /nfs/dbraw/zinc/10/76/26/257107626.db2.gz BSZDUEJWXULZNM-HNNXBMFYSA-N 1 0 306.410 0.972 10 0 DCAERO COCCNC(=O)C[C@@]12COC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000247843311 257116089 /nfs/dbraw/zinc/11/60/89/257116089.db2.gz LPMXJFFVHZCQAE-DOTOQJQBSA-N 1 0 319.405 0.683 10 0 DCAERO O=C(NC[C@@]12COC[C@@H]1C[N@H+](CC1CCC1)C2)c1ccnnc1 ZINC000247510895 257119772 /nfs/dbraw/zinc/11/97/72/257119772.db2.gz SWTQAISVGHIGSU-DOTOQJQBSA-N 1 0 316.405 0.955 10 0 DCAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)N(C)CCCOC)C2)CC1 ZINC000190629553 285333851 /nfs/dbraw/zinc/33/38/51/285333851.db2.gz YDJDBRKJGWSOAC-OAHLLOKOSA-N 1 0 312.458 0.787 10 0 DCAERO COc1cccc(OCC[NH+]2CCC([C@@H](O)C(N)=O)CC2)c1 ZINC000299752198 533659738 /nfs/dbraw/zinc/65/97/38/533659738.db2.gz SVCOXWVHODMRHN-OAHLLOKOSA-N 1 0 308.378 0.632 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189384 131058098 /nfs/dbraw/zinc/05/80/98/131058098.db2.gz YDWNYWZRXDIBFC-KGLIPLIRSA-N 1 0 307.398 0.388 10 0 DCAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000284786970 131111613 /nfs/dbraw/zinc/11/16/13/131111613.db2.gz IQRCUVCABPQPSV-WOSRLPQWSA-N 1 0 316.409 0.957 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)C(=O)Nc3ccccc3)[C@H]2C1 ZINC000284845786 131115324 /nfs/dbraw/zinc/11/53/24/131115324.db2.gz CMPJOBAYKCDBTA-UONOGXRCSA-N 1 0 303.362 0.557 10 0 DCAERO COc1c(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c(C)nn1C ZINC000121154924 132152578 /nfs/dbraw/zinc/15/25/78/132152578.db2.gz RBYKWCGIXBSPJL-NSHDSACASA-N 1 0 312.439 0.791 10 0 DCAERO NC(=O)[C@@H]1CCC[N@H+](Cc2cccn2CCN2CCOCC2)C1 ZINC000010037950 395685854 /nfs/dbraw/zinc/68/58/54/395685854.db2.gz CWOJAVIBBAQDDW-OAHLLOKOSA-N 1 0 320.437 0.518 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000036753687 395724335 /nfs/dbraw/zinc/72/43/35/395724335.db2.gz TUVFILSXELPGRO-UHFFFAOYSA-N 1 0 316.379 0.795 10 0 DCAERO C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000043180257 395752233 /nfs/dbraw/zinc/75/22/33/395752233.db2.gz JSXCRGNOEFWCBD-CQSZACIVSA-N 1 0 318.425 0.839 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCCO1 ZINC000193933925 395782613 /nfs/dbraw/zinc/78/26/13/395782613.db2.gz QDTOUVIYRVBCDX-QWHCGFSZSA-N 1 0 318.373 0.754 10 0 DCAERO COC(=O)C[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1cccs1 ZINC000098060670 395761636 /nfs/dbraw/zinc/76/16/36/395761636.db2.gz KADCNDBWAZGIJE-SNVBAGLBSA-N 1 0 312.391 0.847 10 0 DCAERO COCCOCCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000194616807 395803003 /nfs/dbraw/zinc/80/30/03/395803003.db2.gz NRJFGPCEERHLNK-CQSZACIVSA-N 1 0 314.426 0.751 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000194651343 395803740 /nfs/dbraw/zinc/80/37/40/395803740.db2.gz NDVGGOZDHSPYIR-SNVBAGLBSA-N 1 0 310.427 0.701 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N1CCc2sccc2C1 ZINC000112548791 395818947 /nfs/dbraw/zinc/81/89/47/395818947.db2.gz GQMUPLRAZALUIO-JSGCOSHPSA-N 1 0 323.462 0.942 10 0 DCAERO NC(=O)COc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195327786 395824581 /nfs/dbraw/zinc/82/45/81/395824581.db2.gz MPJWLZMMKKRLLW-LBPRGKRZSA-N 1 0 303.362 0.471 10 0 DCAERO COCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000118106975 395859782 /nfs/dbraw/zinc/85/97/82/395859782.db2.gz RBDYOUFMABLNOD-AWEZNQCLSA-N 1 0 305.378 0.982 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCO1 ZINC000116789688 395846319 /nfs/dbraw/zinc/84/63/19/395846319.db2.gz FAVGPDWQQAQYEJ-CQSZACIVSA-N 1 0 315.377 0.670 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000194449243 395797353 /nfs/dbraw/zinc/79/73/53/395797353.db2.gz BIQLBBVBZPAWKL-LLVKDONJSA-N 1 0 310.402 0.481 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194582042 395800481 /nfs/dbraw/zinc/80/04/81/395800481.db2.gz DEXQFXBALJORAS-MRXNPFEDSA-N 1 0 309.454 0.776 10 0 DCAERO CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H](O)[C@H](O)C1 ZINC000234304210 395888163 /nfs/dbraw/zinc/88/81/63/395888163.db2.gz WOTUUHYRZRCHCJ-NXEZZACHSA-N 1 0 304.799 0.397 10 0 DCAERO C[C@@H]1CN(c2ncc(I)cn2)C[C@@H]1[NH3+] ZINC000235325674 395892025 /nfs/dbraw/zinc/89/20/25/395892025.db2.gz PQAKACGFQZFJNN-SVRRBLITSA-N 1 0 304.135 0.865 10 0 DCAERO C[C@H]1CN(c2ncc(I)cn2)C[C@@H]1[NH3+] ZINC000235658139 395892692 /nfs/dbraw/zinc/89/26/92/395892692.db2.gz PQAKACGFQZFJNN-XPUUQOCRSA-N 1 0 304.135 0.865 10 0 DCAERO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236639041 395894991 /nfs/dbraw/zinc/89/49/91/395894991.db2.gz YRGDLNXABFATAD-UONOGXRCSA-N 1 0 310.442 0.173 10 0 DCAERO CC(C)([NH3+])CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000236606144 395895306 /nfs/dbraw/zinc/89/53/06/395895306.db2.gz FTXUEQMLGBGLNE-UHFFFAOYSA-N 1 0 304.799 0.967 10 0 DCAERO C[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)C[NH+]1CCCCC1 ZINC000123863818 395898280 /nfs/dbraw/zinc/89/82/80/395898280.db2.gz LVRNPZKTTVQMBD-LBPRGKRZSA-N 1 0 324.425 0.555 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000054577067 395902440 /nfs/dbraw/zinc/90/24/40/395902440.db2.gz YKYSBMCWMQUJAV-GJZGRUSLSA-N 1 0 323.441 0.665 10 0 DCAERO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[NH3+])c1 ZINC000237137637 395903723 /nfs/dbraw/zinc/90/37/23/395903723.db2.gz QOEARHINGNHSKV-UHFFFAOYSA-N 1 0 306.771 0.754 10 0 DCAERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCCC1 ZINC000054994067 395909134 /nfs/dbraw/zinc/90/91/34/395909134.db2.gz TYQDGLQCJXBNDD-CQSZACIVSA-N 1 0 309.410 0.180 10 0 DCAERO C[C@H](C[NH3+])N(C)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000237606185 395916472 /nfs/dbraw/zinc/91/64/72/395916472.db2.gz MOIGVFJMWJLJGJ-OAHLLOKOSA-N 1 0 304.438 0.610 10 0 DCAERO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000238131243 395922236 /nfs/dbraw/zinc/92/22/36/395922236.db2.gz OQIJJHSPJKSAEP-KRWDZBQOSA-N 1 0 316.449 0.672 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000245524732 395931346 /nfs/dbraw/zinc/93/13/46/395931346.db2.gz AQVCPXYEBHHTGH-ZIAGYGMSSA-N 1 0 316.398 0.873 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000052778411 395869705 /nfs/dbraw/zinc/86/97/05/395869705.db2.gz PYCYVHQARNLVSG-SNVBAGLBSA-N 1 0 317.411 0.648 10 0 DCAERO COC[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)OC ZINC000227714386 395869828 /nfs/dbraw/zinc/86/98/28/395869828.db2.gz KBBWSRANZSJGJB-JQWIXIFHSA-N 1 0 302.396 0.646 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000122189949 395886401 /nfs/dbraw/zinc/88/64/01/395886401.db2.gz OEDBPEVEAMAFFO-LBPRGKRZSA-N 1 0 317.393 0.893 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245793818 395935943 /nfs/dbraw/zinc/93/59/43/395935943.db2.gz DPKOTVNLHUEQAL-GXTWGEPZSA-N 1 0 310.442 0.138 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245812802 395936721 /nfs/dbraw/zinc/93/67/21/395936721.db2.gz PQDFKTBQCOICLO-HOTGVXAUSA-N 1 0 314.389 0.981 10 0 DCAERO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cnsn1 ZINC000245818040 395937041 /nfs/dbraw/zinc/93/70/41/395937041.db2.gz DIGHBVHGXSIVQV-STQMWFEESA-N 1 0 318.402 0.903 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC(=O)Nc2ccccc21 ZINC000246312228 395947299 /nfs/dbraw/zinc/94/72/99/395947299.db2.gz JVQNWAYXORWQFG-ZDUSSCGKSA-N 1 0 314.389 0.752 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000246343664 395947466 /nfs/dbraw/zinc/94/74/66/395947466.db2.gz OXDNMKBHSCZWJW-OAGGEKHMSA-N 1 0 324.469 0.975 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C1 ZINC000246473113 395950606 /nfs/dbraw/zinc/95/06/06/395950606.db2.gz QUPBFJKTUJAACL-KFWWJZLASA-N 1 0 312.458 0.879 10 0 DCAERO O=C(C[N@@H+]1CC[C@H]2OCCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000246495064 395951626 /nfs/dbraw/zinc/95/16/26/395951626.db2.gz DUTCRQNGCKNCCQ-VHSXEESVSA-N 1 0 323.315 0.875 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)NCC(F)(F)F ZINC000246622389 395954274 /nfs/dbraw/zinc/95/42/74/395954274.db2.gz JZTBUKYDBPVPKG-GUBZILKMSA-N 1 0 307.316 0.702 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCC(=O)OC ZINC000246850702 395959494 /nfs/dbraw/zinc/95/94/94/395959494.db2.gz DYFZQJZVNAYETP-STQMWFEESA-N 1 0 318.439 0.828 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)CO)C1 ZINC000246992697 395962745 /nfs/dbraw/zinc/96/27/45/395962745.db2.gz HTUDDIBKVQYRFP-MGPQQGTHSA-N 1 0 301.431 0.659 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[C@H](C)O ZINC000246969171 395962972 /nfs/dbraw/zinc/96/29/72/395962972.db2.gz GOPVBPPRDDOLOB-HZSPNIEDSA-N 1 0 301.431 0.803 10 0 DCAERO CCOC(=O)CCCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247068128 395966100 /nfs/dbraw/zinc/96/61/00/395966100.db2.gz WKUWLKINCHZSPP-UONOGXRCSA-N 1 0 313.442 0.860 10 0 DCAERO CC[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000247212734 395969027 /nfs/dbraw/zinc/96/90/27/395969027.db2.gz PUXHBLDPCQCCAH-RRFJBIMHSA-N 1 0 313.442 0.059 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557536 395976343 /nfs/dbraw/zinc/97/63/43/395976343.db2.gz UGKBMHLCTGQRIN-HUUCEWRRSA-N 1 0 319.453 0.762 10 0 DCAERO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)NC[C@H]2CCCO2)CC1 ZINC000247576171 395976656 /nfs/dbraw/zinc/97/66/56/395976656.db2.gz SHCPLKDRINQTRG-RRFJBIMHSA-N 1 0 313.442 0.059 10 0 DCAERO CN(C(=O)Cn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@H+](C)C1 ZINC000151086996 395978864 /nfs/dbraw/zinc/97/88/64/395978864.db2.gz MNWVQJHDGBYXHQ-LBPRGKRZSA-N 1 0 302.378 0.882 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000151457262 395985929 /nfs/dbraw/zinc/98/59/29/395985929.db2.gz WTGIYUCHXDYHLK-RYUDHWBXSA-N 1 0 305.444 0.593 10 0 DCAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000248634225 395992523 /nfs/dbraw/zinc/99/25/23/395992523.db2.gz XHBHEZUDCRBBOD-DOMZBBRYSA-N 1 0 300.399 0.273 10 0 DCAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)CN1CCOCC1 ZINC000253187004 396025738 /nfs/dbraw/zinc/02/57/38/396025738.db2.gz BDUGTERUORRFJJ-OAGGEKHMSA-N 1 0 308.426 0.650 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000153820606 396026477 /nfs/dbraw/zinc/02/64/77/396026477.db2.gz OVIPAKBLRQJZJK-UHFFFAOYSA-N 1 0 305.382 0.445 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000253548764 396030359 /nfs/dbraw/zinc/03/03/59/396030359.db2.gz KDLWUIDWTPOMQB-RYUDHWBXSA-N 1 0 306.366 0.034 10 0 DCAERO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000154782586 396042499 /nfs/dbraw/zinc/04/24/99/396042499.db2.gz ZLGHQJSXKCEXKV-UHFFFAOYSA-N 1 0 322.413 0.742 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261666610 396053899 /nfs/dbraw/zinc/05/38/99/396053899.db2.gz KZVAQWUCLMPXFY-CQSZACIVSA-N 1 0 311.407 0.406 10 0 DCAERO CN1CCN(C(=O)c2ccc(CNC3=[NH+]CCCN3)cc2)CC1 ZINC000261736512 396060686 /nfs/dbraw/zinc/06/06/86/396060686.db2.gz HYDQJQQIHMHNGI-UHFFFAOYSA-N 1 0 315.421 0.513 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000156279266 396061108 /nfs/dbraw/zinc/06/11/08/396061108.db2.gz GKBOGDJKACCBDS-CABCVRRESA-N 1 0 314.474 0.984 10 0 DCAERO C[C@]1(CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]C1 ZINC000261758211 396063126 /nfs/dbraw/zinc/06/31/26/396063126.db2.gz LAEHKCDNGDOMBZ-INIZCTEOSA-N 1 0 303.410 0.302 10 0 DCAERO Cn1cc([C@]2(C)CN(C(=O)[C@@H]([NH3+])C3CCOCC3)CCO2)cn1 ZINC000261774362 396064221 /nfs/dbraw/zinc/06/42/21/396064221.db2.gz MOXFWWVNDSFBGU-HOCLYGCPSA-N 1 0 322.409 0.248 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCOCC1 ZINC000261786985 396065729 /nfs/dbraw/zinc/06/57/29/396065729.db2.gz HVMJUMCRLJLTGH-UHFFFAOYSA-N 1 0 324.812 0.892 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249149761 396003779 /nfs/dbraw/zinc/00/37/79/396003779.db2.gz HAOSDFFRBUNKLH-YPMHNXCESA-N 1 0 318.377 0.724 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000249134429 396003892 /nfs/dbraw/zinc/00/38/92/396003892.db2.gz DMYJJQBHIVDCCN-NEPJUHHUSA-N 1 0 305.382 0.444 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249251533 396004707 /nfs/dbraw/zinc/00/47/07/396004707.db2.gz XYIGEVSGANRBDB-RYUDHWBXSA-N 1 0 318.377 0.724 10 0 DCAERO CC[C@@H](NS(N)(=O)=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000152310381 396005696 /nfs/dbraw/zinc/00/56/96/396005696.db2.gz WGYKKOAYVBCOFQ-ZIAGYGMSSA-N 1 0 313.423 0.459 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000249612274 396010540 /nfs/dbraw/zinc/01/05/40/396010540.db2.gz PMHGTWGGCQTQAK-WBMJQRKESA-N 1 0 322.409 0.307 10 0 DCAERO C[N@@H+]1CCO[C@H]2CN(c3ccc4nnc(C5CC5)n4n3)C[C@@H]21 ZINC000153155229 396021739 /nfs/dbraw/zinc/02/17/39/396021739.db2.gz CEJNUIFBVJFFMP-RYUDHWBXSA-N 1 0 300.366 0.521 10 0 DCAERO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)cc1 ZINC000262011884 396090022 /nfs/dbraw/zinc/09/00/22/396090022.db2.gz HOZWIYSMMJKISE-GHMZBOCLSA-N 1 0 313.423 0.602 10 0 DCAERO C[C@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000262042809 396093398 /nfs/dbraw/zinc/09/33/98/396093398.db2.gz GMLMVTPSDWLLLS-SNVBAGLBSA-N 1 0 311.332 0.844 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000170874622 396099493 /nfs/dbraw/zinc/09/94/93/396099493.db2.gz YZLUVYBPCOOBQR-LLVKDONJSA-N 1 0 312.395 0.653 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc(F)c(F)c1 ZINC000262129897 396102233 /nfs/dbraw/zinc/10/22/33/396102233.db2.gz LKXAUCARMSEZKN-UHFFFAOYSA-N 1 0 311.332 0.398 10 0 DCAERO CC(C)N1C(=O)CN(CCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000262200459 396109709 /nfs/dbraw/zinc/10/97/09/396109709.db2.gz SEJDRISGHIYTQF-UHFFFAOYSA-N 1 0 310.442 0.140 10 0 DCAERO CNC(=O)NC(=O)CCN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000262292230 396119003 /nfs/dbraw/zinc/11/90/03/396119003.db2.gz WEBYPRRTQHVWMC-ZDUSSCGKSA-N 1 0 320.393 0.487 10 0 DCAERO Cc1cnn(C[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CCO2)c1 ZINC000262290411 396119136 /nfs/dbraw/zinc/11/91/36/396119136.db2.gz OPEPUKGDXMAISH-AWEZNQCLSA-N 1 0 322.409 0.174 10 0 DCAERO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071877469 396121810 /nfs/dbraw/zinc/12/18/10/396121810.db2.gz NWLTXHXONGPFSJ-HUUCEWRRSA-N 1 0 316.409 0.635 10 0 DCAERO Cc1nc(Cl)cc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000071893785 396123367 /nfs/dbraw/zinc/12/33/67/396123367.db2.gz KUAUYMDXXOCPTJ-GFCCVEGCSA-N 1 0 313.833 0.483 10 0 DCAERO Cn1ncc2c1nc(NC1CCN(CC[NH+](C)C)CC1)nc2N ZINC000278454985 396125832 /nfs/dbraw/zinc/12/58/32/396125832.db2.gz SAJPGRKFJHMBML-UHFFFAOYSA-N 1 0 318.429 0.383 10 0 DCAERO O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262349570 396128455 /nfs/dbraw/zinc/12/84/55/396128455.db2.gz HDIWOPSHDGYNEP-NXEZZACHSA-N 1 0 319.283 0.362 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C1CCOCC1 ZINC000261871383 396073984 /nfs/dbraw/zinc/07/39/84/396073984.db2.gz TUDKENKCTOHTPZ-XJKSGUPXSA-N 1 0 317.389 0.662 10 0 DCAERO NC(=O)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCOCC1 ZINC000262438422 396140486 /nfs/dbraw/zinc/14/04/86/396140486.db2.gz MQNGMVRRMUVRAH-XQQFMLRXSA-N 1 0 309.410 0.305 10 0 DCAERO Nc1c(NC[C@H](O)C[NH+]2CCCCC2)ncnc1-n1cccn1 ZINC000162418809 396081371 /nfs/dbraw/zinc/08/13/71/396081371.db2.gz PAMUWWJZCGALFO-LBPRGKRZSA-N 1 0 317.397 0.503 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000175363510 396140682 /nfs/dbraw/zinc/14/06/82/396140682.db2.gz XDTKCIVBQLWURK-AWEZNQCLSA-N 1 0 318.425 0.793 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(-c2ccco2)on1 ZINC000261961203 396084336 /nfs/dbraw/zinc/08/43/36/396084336.db2.gz OSWXSWBSYKVSNC-UHFFFAOYSA-N 1 0 304.350 0.798 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000163002760 396085110 /nfs/dbraw/zinc/08/51/10/396085110.db2.gz WMEPPOBXFPJDDQ-AWEZNQCLSA-N 1 0 321.425 0.679 10 0 DCAERO CCOc1c(OC)cc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263243116 396208356 /nfs/dbraw/zinc/20/83/56/396208356.db2.gz OXJIGUJFZHYUDN-STQMWFEESA-N 1 0 310.394 0.772 10 0 DCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1OC(F)F ZINC000263249400 396208977 /nfs/dbraw/zinc/20/89/77/396208977.db2.gz PRDJELBDVRIBMK-QWRGUYRKSA-N 1 0 302.321 0.967 10 0 DCAERO CC(=O)NC1(c2nc([C@H]3C[NH2+]CCN3C)no2)CCCCC1 ZINC000263256250 396209287 /nfs/dbraw/zinc/20/92/87/396209287.db2.gz QMNPDNIEMVQMBA-GFCCVEGCSA-N 1 0 307.398 0.941 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262480551 396145201 /nfs/dbraw/zinc/14/52/01/396145201.db2.gz ZOAKFGNGFOLHNF-NWDGAFQWSA-N 1 0 324.812 0.808 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262480552 396145486 /nfs/dbraw/zinc/14/54/86/396145486.db2.gz ZOAKFGNGFOLHNF-RYUDHWBXSA-N 1 0 324.812 0.808 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000176147933 396150739 /nfs/dbraw/zinc/15/07/39/396150739.db2.gz HLOYELASIJRHIK-QWHCGFSZSA-N 1 0 319.471 0.505 10 0 DCAERO O=C(NCc1ccnc(N2CCCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262530549 396151876 /nfs/dbraw/zinc/15/18/76/396151876.db2.gz PMZSKAVEDDKFEY-KGLIPLIRSA-N 1 0 304.394 0.411 10 0 DCAERO NC(=O)c1ccc(OCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176320230 396153712 /nfs/dbraw/zinc/15/37/12/396153712.db2.gz CNFHZENAZKZOTE-CQSZACIVSA-N 1 0 317.389 0.861 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176635578 396158201 /nfs/dbraw/zinc/15/82/01/396158201.db2.gz STEDORGQEXYIRA-AGIUHOORSA-N 1 0 317.455 0.244 10 0 DCAERO CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262596283 396159810 /nfs/dbraw/zinc/15/98/10/396159810.db2.gz XBJAKBXEWZYSLN-UKRRQHHQSA-N 1 0 317.389 0.629 10 0 DCAERO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C1C[NH2+]C1 ZINC000262595534 396159839 /nfs/dbraw/zinc/15/98/39/396159839.db2.gz WZHGDVWOOOZPFD-SWLSCSKDSA-N 1 0 301.390 0.759 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000263261665 396210482 /nfs/dbraw/zinc/21/04/82/396210482.db2.gz STYNJDXKQZFKFO-AAEUAGOBSA-N 1 0 324.450 0.949 10 0 DCAERO COc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c(C(N)=O)cc1OC ZINC000262623323 396163338 /nfs/dbraw/zinc/16/33/38/396163338.db2.gz OVEHBNVUOOBDAR-IUCAKERBSA-N 1 0 307.350 0.869 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[N@@H+]1C1CC1 ZINC000177200674 396169260 /nfs/dbraw/zinc/16/92/60/396169260.db2.gz ORUCZXFDIACWEM-ZJUUUORDSA-N 1 0 308.382 0.058 10 0 DCAERO Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177678428 396181369 /nfs/dbraw/zinc/18/13/69/396181369.db2.gz DGTIXLOVNUEPMJ-CYBMUJFWSA-N 1 0 323.368 0.862 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1=O ZINC000262786564 396182367 /nfs/dbraw/zinc/18/23/67/396182367.db2.gz MPQUDSJVUURNIY-GHMZBOCLSA-N 1 0 310.398 0.211 10 0 DCAERO CCc1cnc(N2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)s1 ZINC000262829901 396185353 /nfs/dbraw/zinc/18/53/53/396185353.db2.gz ZNDAHRRHAGGKNB-NSHDSACASA-N 1 0 312.439 0.718 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000075961081 396189981 /nfs/dbraw/zinc/18/99/81/396189981.db2.gz PCJLEKMNGSQGTO-CVEARBPZSA-N 1 0 308.422 0.815 10 0 DCAERO O=C(COc1ccc(CCNC(=O)C2C[NH2+]C2)cc1)NC1CC1 ZINC000263296784 396212147 /nfs/dbraw/zinc/21/21/47/396212147.db2.gz MKNYWQRTRRIWCP-UHFFFAOYSA-N 1 0 317.389 0.222 10 0 DCAERO COC(C)(C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000178584368 396200026 /nfs/dbraw/zinc/20/00/26/396200026.db2.gz AQPMBFPKCKRAOP-OAHLLOKOSA-N 1 0 306.406 0.947 10 0 DCAERO CC[C@@H]1CN(C(=O)NC[C@@H](C)COC)CC[N@@H+]1C[C@@H](C)O ZINC000181796921 396242417 /nfs/dbraw/zinc/24/24/17/396242417.db2.gz HZGVCSNVNKPCHA-MGPQQGTHSA-N 1 0 301.431 0.756 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182053245 396245667 /nfs/dbraw/zinc/24/56/67/396245667.db2.gz IPTUCQZJSXFQTN-LBPRGKRZSA-N 1 0 323.422 0.857 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000183280643 396265607 /nfs/dbraw/zinc/26/56/07/396265607.db2.gz ZEKNBNPIKBAEHJ-QWHCGFSZSA-N 1 0 310.423 0.612 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000183388476 396269289 /nfs/dbraw/zinc/26/92/89/396269289.db2.gz GQZSEJGCNJSQGD-UHFFFAOYSA-N 1 0 319.405 0.931 10 0 DCAERO CC(C)C[C@@H](NC(=O)C1C[NH2+]C1)c1nc(-c2nc[nH]n2)no1 ZINC000263313807 396213290 /nfs/dbraw/zinc/21/32/90/396213290.db2.gz PSTQLOSIBIXTGX-SECBINFHSA-N 1 0 305.342 0.278 10 0 DCAERO COc1cc(N2CC[NH+](CCC(=O)NC(C)C)CC2)ncn1 ZINC000184066976 396283483 /nfs/dbraw/zinc/28/34/83/396283483.db2.gz JGNSCSJKVSPKGA-UHFFFAOYSA-N 1 0 307.398 0.522 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179063217 396220530 /nfs/dbraw/zinc/22/05/30/396220530.db2.gz QBFNRSSIPCVTCH-XHDPSFHLSA-N 1 0 317.389 0.883 10 0 DCAERO CC(C)COC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000077395731 396221192 /nfs/dbraw/zinc/22/11/92/396221192.db2.gz MTGKVDVUYYXCMF-UHFFFAOYSA-N 1 0 309.410 0.721 10 0 DCAERO CCC[C@H](C(=O)N1CCCN(CC(=O)OCC)CC1)[NH+](C)C ZINC000179644854 396228255 /nfs/dbraw/zinc/22/82/55/396228255.db2.gz KWRZGZUZVXTJGX-CQSZACIVSA-N 1 0 313.442 0.814 10 0 DCAERO Cn1cc(-c2cc(CN3CC[NH+](CC(C)(C)O)CC3)on2)cn1 ZINC000184995467 396313636 /nfs/dbraw/zinc/31/36/36/396313636.db2.gz WEPMCSMXRTYAKF-UHFFFAOYSA-N 1 0 319.409 0.964 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cncnc1N(C)C ZINC000184432560 396295030 /nfs/dbraw/zinc/29/50/30/396295030.db2.gz OGDSYQCPFOPGPC-LLVKDONJSA-N 1 0 322.413 0.328 10 0 DCAERO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)NC(N)=O ZINC000184749695 396305042 /nfs/dbraw/zinc/30/50/42/396305042.db2.gz BOYAWXGYBOKLPQ-CHWSQXEVSA-N 1 0 318.421 0.928 10 0 DCAERO CNC(=O)C1CN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000184784616 396305576 /nfs/dbraw/zinc/30/55/76/396305576.db2.gz SQAHNOGHBOHAHH-MRXNPFEDSA-N 1 0 303.406 0.083 10 0 DCAERO CCOCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184803583 396307169 /nfs/dbraw/zinc/30/71/69/396307169.db2.gz RCRUFZLEIAWJQQ-ZDUSSCGKSA-N 1 0 301.431 0.757 10 0 DCAERO Cn1nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1OC(F)F ZINC000185591910 396330465 /nfs/dbraw/zinc/33/04/65/396330465.db2.gz NJBWBROFRMTINC-VIFPVBQESA-N 1 0 318.324 0.424 10 0 DCAERO CCOC(=O)C[C@@](C)([NH2+]C[C@@H](O)CN1CCCC1=O)C(C)C ZINC000186702163 396356023 /nfs/dbraw/zinc/35/60/23/396356023.db2.gz SDIWYBGPWVALLC-CZUORRHYSA-N 1 0 314.426 0.927 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000186742230 396356928 /nfs/dbraw/zinc/35/69/28/396356928.db2.gz LYFZRZMECLYOMG-LBPRGKRZSA-N 1 0 322.409 0.694 10 0 DCAERO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H](C)COC)CC1 ZINC000187173248 396364486 /nfs/dbraw/zinc/36/44/86/396364486.db2.gz NRJFOCNEKLYUKB-CABCVRRESA-N 1 0 315.458 0.428 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc4n[nH]nc4c3)[C@@H]2C1 ZINC000285989894 396367839 /nfs/dbraw/zinc/36/78/39/396367839.db2.gz YIAOPKOMTVGOEE-KGLIPLIRSA-N 1 0 301.350 0.503 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187532690 396370884 /nfs/dbraw/zinc/37/08/84/396370884.db2.gz DZBJDQOMAHPMDC-ZDUSSCGKSA-N 1 0 322.453 0.884 10 0 DCAERO Cn1nnc2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc21 ZINC000186374103 396348969 /nfs/dbraw/zinc/34/89/69/396348969.db2.gz JIABAXZMDUSTSG-UHFFFAOYSA-N 1 0 317.393 0.809 10 0 DCAERO O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[NH+]2CCC1CC2 ZINC000188605579 396383344 /nfs/dbraw/zinc/38/33/44/396383344.db2.gz CYYURIIAIRNBFU-MNOVXSKESA-N 1 0 319.327 0.750 10 0 DCAERO C[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCN1CCO ZINC000188771230 396385467 /nfs/dbraw/zinc/38/54/67/396385467.db2.gz HGNPXGSGLJXLAR-GFCCVEGCSA-N 1 0 324.425 0.825 10 0 DCAERO COc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1OC ZINC000188777051 396385762 /nfs/dbraw/zinc/38/57/62/396385762.db2.gz NHURNBHFSCEOBZ-GFCCVEGCSA-N 1 0 308.378 0.842 10 0 DCAERO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[NH+]2CCC1CC2 ZINC000188837039 396387060 /nfs/dbraw/zinc/38/70/60/396387060.db2.gz APQFGIDGFMXZGA-LLVKDONJSA-N 1 0 303.366 0.069 10 0 DCAERO O=C(CNC(=O)NC1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000188841901 396387239 /nfs/dbraw/zinc/38/72/39/396387239.db2.gz DELMNUUZEFBINY-UHFFFAOYSA-N 1 0 308.426 0.925 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C[N@@H+]1C1CC1 ZINC000188890739 396388076 /nfs/dbraw/zinc/38/80/76/396388076.db2.gz QPHLMAAEIIBMAF-DGCLKSJQSA-N 1 0 320.437 0.922 10 0 DCAERO O=C(NC1CC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188977435 396389119 /nfs/dbraw/zinc/38/91/19/396389119.db2.gz VFJDAZQKVJUQCG-RISCZKNCSA-N 1 0 323.343 0.805 10 0 DCAERO O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188960675 396389129 /nfs/dbraw/zinc/38/91/29/396389129.db2.gz GANIIJIAEJSSSI-BONVTDFDSA-N 1 0 322.434 0.840 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCC(n2cncn2)CC1 ZINC000189425853 396394881 /nfs/dbraw/zinc/39/48/81/396394881.db2.gz WZWJLILRMGUQGR-UHFFFAOYSA-N 1 0 313.427 0.341 10 0 DCAERO Cn1cc([C@@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)C2)cn1 ZINC000189626045 396397029 /nfs/dbraw/zinc/39/70/29/396397029.db2.gz YAFZVQVALOBRKZ-CYBMUJFWSA-N 1 0 312.439 0.635 10 0 DCAERO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000190165019 396402708 /nfs/dbraw/zinc/40/27/08/396402708.db2.gz KCSRHVFKKZDAJV-HNNXBMFYSA-N 1 0 312.458 0.834 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000190350411 396404809 /nfs/dbraw/zinc/40/48/09/396404809.db2.gz DMYJJQBHIVDCCN-VXGBXAGGSA-N 1 0 305.382 0.444 10 0 DCAERO COCCN1CCC[N@H+](C[C@H](O)Cc2ccccc2)CC1=O ZINC000190787597 396410806 /nfs/dbraw/zinc/41/08/06/396410806.db2.gz PXIRQUBRMYVTRL-MRXNPFEDSA-N 1 0 306.406 0.771 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CCCN(C)C(=O)C2)CC1 ZINC000191122107 396415930 /nfs/dbraw/zinc/41/59/30/396415930.db2.gz ZZEJPSXVLBBFOT-UHFFFAOYSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000191217782 396416492 /nfs/dbraw/zinc/41/64/92/396416492.db2.gz KNIMRPLHXFGWOR-GFCCVEGCSA-N 1 0 308.426 0.781 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000191878978 396426454 /nfs/dbraw/zinc/42/64/54/396426454.db2.gz QGGJOLWSQAKYQF-BYCMXARLSA-N 1 0 315.377 0.821 10 0 DCAERO CCN1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000191893579 396426567 /nfs/dbraw/zinc/42/65/67/396426567.db2.gz GWVASISDWRHDHZ-BETUJISGSA-N 1 0 312.414 0.317 10 0 DCAERO Cc1cc(N2CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)n2ncnc2n1 ZINC000192107257 396429069 /nfs/dbraw/zinc/42/90/69/396429069.db2.gz DRULKCWWXFAPMZ-NWDGAFQWSA-N 1 0 317.397 0.065 10 0 DCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000192104628 396429455 /nfs/dbraw/zinc/42/94/55/396429455.db2.gz YCWBSROAEGSBRD-QWRGUYRKSA-N 1 0 315.368 0.906 10 0 DCAERO CC(C)[C@H]([NH2+]CCN1CCO[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000192789276 396437628 /nfs/dbraw/zinc/43/76/28/396437628.db2.gz HRTFQSWQTWVBBG-GJZGRUSLSA-N 1 0 313.442 0.180 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCCN1CCOCC1 ZINC000192895615 396439376 /nfs/dbraw/zinc/43/93/76/396439376.db2.gz XNTZSHDACFAAQW-CQSZACIVSA-N 1 0 300.447 0.738 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)NCc1nnc2n1CCCC2 ZINC000192951087 396441185 /nfs/dbraw/zinc/44/11/85/396441185.db2.gz OOYUEDRHAOLKJO-UHFFFAOYSA-N 1 0 313.427 0.130 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C2CC2)n1 ZINC000291511597 396495194 /nfs/dbraw/zinc/49/51/94/396495194.db2.gz OPXZAEZIQPQWTC-GFCCVEGCSA-N 1 0 317.393 0.543 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCCc1cnn(C)c1 ZINC000291672790 396506769 /nfs/dbraw/zinc/50/67/69/396506769.db2.gz QHZOZIHVLMWQQL-TZMCWYRMSA-N 1 0 309.414 0.059 10 0 DCAERO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527657661 396546643 /nfs/dbraw/zinc/54/66/43/396546643.db2.gz SYXJGAJIYWKYNO-UHFFFAOYSA-N 1 0 304.394 0.560 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000533614400 396608967 /nfs/dbraw/zinc/60/89/67/396608967.db2.gz LZUCLLATNQDOQY-JTQLQIEISA-N 1 0 307.398 0.433 10 0 DCAERO c1c(C[NH2+]C2CC2)nnn1Cc1nnnn1Cc1ccccc1 ZINC000303215137 396725389 /nfs/dbraw/zinc/72/53/89/396725389.db2.gz FIUBQFTXYJYEAE-UHFFFAOYSA-N 1 0 310.365 0.613 10 0 DCAERO Cc1nn(C)c(=O)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1C ZINC000590438067 396780336 /nfs/dbraw/zinc/78/03/36/396780336.db2.gz WQAFDJFVXIDIPD-UHFFFAOYSA-N 1 0 318.381 0.408 10 0 DCAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312915431 396767772 /nfs/dbraw/zinc/76/77/72/396767772.db2.gz BXXROIORVGUEPB-CHWSQXEVSA-N 1 0 308.444 0.130 10 0 DCAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC000328634722 396827073 /nfs/dbraw/zinc/82/70/73/396827073.db2.gz MYNKZFVQWAHTEB-ZIAGYGMSSA-N 1 0 309.410 0.922 10 0 DCAERO COC(=O)[C@H](C)N(C[C@@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC000564836040 396877855 /nfs/dbraw/zinc/87/78/55/396877855.db2.gz FXZZTYDPSUGBGQ-CFVMTHIKSA-N 1 0 315.410 0.959 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332840041 396897061 /nfs/dbraw/zinc/89/70/61/396897061.db2.gz JIOWHNIYXBLUPH-MCIONIFRSA-N 1 0 308.426 0.733 10 0 DCAERO c1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc(N2CCOCC2)n1 ZINC000634812241 396921807 /nfs/dbraw/zinc/92/18/07/396921807.db2.gz CTNQSMZMRFQPEV-KGLIPLIRSA-N 1 0 303.410 0.892 10 0 DCAERO c1c(C[C@H]2CC[NH2+]C2)nnn1-c1nc2ccccc2n2nnnc12 ZINC000630590296 397056557 /nfs/dbraw/zinc/05/65/57/397056557.db2.gz CHRDPNUTLBFRJQ-SNVBAGLBSA-N 1 0 321.348 0.405 10 0 DCAERO C[NH+](C)CCn1cc(NC(=O)NCC2([S@@](C)=O)CC2)cn1 ZINC000619661824 397172070 /nfs/dbraw/zinc/17/20/70/397172070.db2.gz WXRBICAAKLRTHG-OAQYLSRUSA-N 1 0 313.427 0.477 10 0 DCAERO C[C@@H]1CCOCCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000378461848 397242726 /nfs/dbraw/zinc/24/27/26/397242726.db2.gz LAZXOSHTAGQBHB-CQSZACIVSA-N 1 0 312.458 0.833 10 0 DCAERO COc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000380870140 397270874 /nfs/dbraw/zinc/27/08/74/397270874.db2.gz YFIBLZRMMGRDKL-CYBMUJFWSA-N 1 0 300.380 0.103 10 0 DCAERO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc21 ZINC000381433526 397272419 /nfs/dbraw/zinc/27/24/19/397272419.db2.gz CZKDZMVTRBKEQU-ZJUUUORDSA-N 1 0 311.407 0.610 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)CO ZINC000382231808 397274127 /nfs/dbraw/zinc/27/41/27/397274127.db2.gz DFZAJBLDWYSVCA-NSHDSACASA-N 1 0 306.362 0.346 10 0 DCAERO CC(=O)c1cccc(NC(=O)C(=O)NCCOCCC[NH3+])c1 ZINC000626891793 397277411 /nfs/dbraw/zinc/27/74/11/397277411.db2.gz IAJFAVCPWQPLHZ-UHFFFAOYSA-N 1 0 307.350 0.309 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000386315293 397288283 /nfs/dbraw/zinc/28/82/83/397288283.db2.gz SWSFMMZOYQLPDD-UPJWGTAASA-N 1 0 300.399 0.393 10 0 DCAERO CC(=O)N[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748498 397314238 /nfs/dbraw/zinc/31/42/38/397314238.db2.gz CJTLVOPSJUSPJX-HNNXBMFYSA-N 1 0 322.453 0.330 10 0 DCAERO COC(=O)[C@]1(C)CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C ZINC000407970253 397341612 /nfs/dbraw/zinc/34/16/12/397341612.db2.gz ZGDJOHOTBIJAFP-XJKCOSOUSA-N 1 0 309.410 0.034 10 0 DCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000408181320 397348930 /nfs/dbraw/zinc/34/89/30/397348930.db2.gz CDZSOSAGPQSDLV-HNNXBMFYSA-N 1 0 312.410 0.777 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408181011 397349297 /nfs/dbraw/zinc/34/92/97/397349297.db2.gz ZCAICBXIQPROEY-YPMHNXCESA-N 1 0 324.343 0.871 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000408212975 397350123 /nfs/dbraw/zinc/35/01/23/397350123.db2.gz BGRMGZRZBIWPSU-STQMWFEESA-N 1 0 302.440 0.959 10 0 DCAERO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408217475 397350510 /nfs/dbraw/zinc/35/05/10/397350510.db2.gz FHYIUTKXRVICLS-LOWDOPEQSA-N 1 0 304.456 0.997 10 0 DCAERO COC1CCN(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000408288140 397351976 /nfs/dbraw/zinc/35/19/76/397351976.db2.gz VVEWPFCSWROEMU-CYBMUJFWSA-N 1 0 313.442 0.994 10 0 DCAERO O=C(c1cc(Br)c[nH]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404222432 397328243 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158234458 /nfs/dbraw/zinc/23/44/58/158234458.db2.gz ICTDEMXPODJGIV-MRXNPFEDSA-N 1 0 318.377 0.686 10 0 DCAERO Cc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1C ZINC000123740946 158234587 /nfs/dbraw/zinc/23/45/87/158234587.db2.gz LEWPRVRQHXORDW-KRWDZBQOSA-N 1 0 321.421 0.462 10 0 DCAERO COc1ccccc1CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000124776743 158246706 /nfs/dbraw/zinc/24/67/06/158246706.db2.gz XMPTYZYZQXILEV-UHFFFAOYSA-N 1 0 319.405 0.551 10 0 DCAERO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000125931107 158260267 /nfs/dbraw/zinc/26/02/67/158260267.db2.gz PTPULPKHYWYQPH-CABCVRRESA-N 1 0 301.390 0.556 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000127924673 158277562 /nfs/dbraw/zinc/27/75/62/158277562.db2.gz LBWLUUSWVJQZFW-AWEZNQCLSA-N 1 0 303.362 0.818 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@]1(CCO)CCOC1 ZINC000129600717 158289764 /nfs/dbraw/zinc/28/97/64/158289764.db2.gz HMHOJIVYIHAOJF-HIFRSBDPSA-N 1 0 301.431 0.805 10 0 DCAERO CC[C@H]1CN(C(=O)CCCC(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000131615014 158304447 /nfs/dbraw/zinc/30/44/47/158304447.db2.gz UWYIXUBWYAZTPY-OLZOCXBDSA-N 1 0 300.399 0.633 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(=O)(=O)NC)c2)C1 ZINC000131780893 158306019 /nfs/dbraw/zinc/30/60/19/158306019.db2.gz NXDCOUXEDHSXRG-NSHDSACASA-N 1 0 315.395 0.402 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000132397525 158310614 /nfs/dbraw/zinc/31/06/14/158310614.db2.gz SCVUYVSJNLQOGO-CYBMUJFWSA-N 1 0 300.428 0.886 10 0 DCAERO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)NC(=O)COc2ccccc2)C1 ZINC000133742766 158321588 /nfs/dbraw/zinc/32/15/88/158321588.db2.gz KFAVOZGIJSFGTM-KBPBESRZSA-N 1 0 319.405 0.781 10 0 DCAERO CCNC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135663641 158339213 /nfs/dbraw/zinc/33/92/13/158339213.db2.gz LXVALMCXJASBRD-LBPRGKRZSA-N 1 0 303.428 0.013 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000170826397 158377021 /nfs/dbraw/zinc/37/70/21/158377021.db2.gz 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158706768 /nfs/dbraw/zinc/70/67/68/158706768.db2.gz BVHIUHWUMDIQPQ-OAGGEKHMSA-N 1 0 300.443 0.863 10 0 DCAERO C[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@H](C[NH3+])C1 ZINC000261693903 158730336 /nfs/dbraw/zinc/73/03/36/158730336.db2.gz FBAANHIFMLRXRF-UTUOFQBUSA-N 1 0 320.480 0.493 10 0 DCAERO Cc1ccc(N2CC[C@@H](NC(=O)C3([NH3+])CCOCC3)C2=O)cc1 ZINC000261921194 158754469 /nfs/dbraw/zinc/75/44/69/158754469.db2.gz VAKKQCNJWDXXOJ-CQSZACIVSA-N 1 0 317.389 0.724 10 0 DCAERO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC[C@H]1[NH3+] ZINC000261951251 158757700 /nfs/dbraw/zinc/75/77/00/158757700.db2.gz YZNWNPJSHLSMPT-NXEZZACHSA-N 1 0 321.343 0.983 10 0 DCAERO [NH3+]CC1(C(=O)N2CCN(Cc3cscn3)CC2)CCOCC1 ZINC000262121449 158775063 /nfs/dbraw/zinc/77/50/63/158775063.db2.gz FXUCTJPZFGXBKC-UHFFFAOYSA-N 1 0 324.450 0.543 10 0 DCAERO Nc1cc(Br)ccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262385171 158807239 /nfs/dbraw/zinc/80/72/39/158807239.db2.gz XJYGXXAVECLXLD-HQJQHLMTSA-N 1 0 314.183 0.341 10 0 DCAERO 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ZINC000170832732 416034624 /nfs/dbraw/zinc/03/46/24/416034624.db2.gz GWJYDRBAGQPERR-GFCCVEGCSA-N 1 0 320.459 0.004 10 0 DCAERO CC[C@@H]1CN(C(=O)CCCCNC(N)=O)CC[N@@H+]1C[C@@H](C)O ZINC000174641195 416084645 /nfs/dbraw/zinc/08/46/45/416084645.db2.gz TXIBPEARBICFPK-CHWSQXEVSA-N 1 0 314.430 0.129 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCn2ccnc21 ZINC000175147032 416097939 /nfs/dbraw/zinc/09/79/39/416097939.db2.gz YBJWTJFBBCZRQZ-OAHLLOKOSA-N 1 0 319.453 0.856 10 0 DCAERO Cc1nccn1CCCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175458960 416105265 /nfs/dbraw/zinc/10/52/65/416105265.db2.gz JFKFJSUAVKFJKU-OAHLLOKOSA-N 1 0 323.441 0.944 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2noc(C)n2)CC[N@@H+]1CCOC ZINC000175693887 416111941 /nfs/dbraw/zinc/11/19/41/416111941.db2.gz GVXCTASFPAPFDX-LBPRGKRZSA-N 1 0 311.386 0.630 10 0 DCAERO O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177693861 416149611 /nfs/dbraw/zinc/14/96/11/416149611.db2.gz UIGVWDGGGUXMDB-NSHDSACASA-N 1 0 308.769 0.980 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000177711779 416150836 /nfs/dbraw/zinc/15/08/36/416150836.db2.gz MKWSQDRBJCPHNL-MRXNPFEDSA-N 1 0 324.469 0.530 10 0 DCAERO COC(=O)c1c(C)cccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000178914302 416176769 /nfs/dbraw/zinc/17/67/69/416176769.db2.gz LMUHNJMVJLCXRX-SNVBAGLBSA-N 1 0 300.380 0.797 10 0 DCAERO CN(C(=O)[C@H]1CSCN1C(=O)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000179072666 416181611 /nfs/dbraw/zinc/18/16/11/416181611.db2.gz XRVCPXJWRAPZDR-CHWSQXEVSA-N 1 0 311.451 0.898 10 0 DCAERO CN(C(=O)[C@H]1CCCCN1C(=O)c1cccnc1)[C@H]1CC[NH2+]C1 ZINC000179075418 416181735 /nfs/dbraw/zinc/18/17/35/416181735.db2.gz IPBGCCVWXBSFAP-LSDHHAIUSA-N 1 0 316.405 0.897 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000179111372 416182427 /nfs/dbraw/zinc/18/24/27/416182427.db2.gz ULNDLPNUYGWYGK-UHFFFAOYSA-N 1 0 319.409 0.754 10 0 DCAERO Cc1onc(N)c1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000329839409 416192386 /nfs/dbraw/zinc/19/23/86/416192386.db2.gz MVLWMGXYXOVSKQ-LLVKDONJSA-N 1 0 316.427 0.964 10 0 DCAERO C[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 ZINC000180235310 416193646 /nfs/dbraw/zinc/19/36/46/416193646.db2.gz USDQFLXTZXZJDI-RISCZKNCSA-N 1 0 309.435 1.000 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCCCOCCO)CC1 ZINC000181542115 416210282 /nfs/dbraw/zinc/21/02/82/416210282.db2.gz XWBAHORXAWJBLD-UHFFFAOYSA-N 1 0 301.431 0.807 10 0 DCAERO COC(=O)CC(C)(C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000182031868 416213635 /nfs/dbraw/zinc/21/36/35/416213635.db2.gz KHVNPDNGRLEGGK-QWHCGFSZSA-N 1 0 314.426 0.879 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000178327764 416160646 /nfs/dbraw/zinc/16/06/46/416160646.db2.gz PIJUKMLWGCSUAU-CYBMUJFWSA-N 1 0 305.382 0.644 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCOC1 ZINC000178364740 416162514 /nfs/dbraw/zinc/16/25/14/416162514.db2.gz KTKUWRQDPDRYFD-OLZOCXBDSA-N 1 0 318.373 0.612 10 0 DCAERO COC(=O)c1cn(C2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000183717706 416248380 /nfs/dbraw/zinc/24/83/80/416248380.db2.gz KOERRKFWTKETHF-UHFFFAOYSA-N 1 0 323.397 0.616 10 0 DCAERO COCCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185801112 416255363 /nfs/dbraw/zinc/25/53/63/416255363.db2.gz IDTPVWMQEIQGGC-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186869778 416257793 /nfs/dbraw/zinc/25/77/93/416257793.db2.gz KYBRJESTZDOXTB-GWCFXTLKSA-N 1 0 311.407 0.370 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000341981997 416262692 /nfs/dbraw/zinc/26/26/92/416262692.db2.gz CPPPHYUITFBVJK-RHSMWYFYSA-N 1 0 323.437 0.568 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H](C)C1 ZINC000188530597 416262776 /nfs/dbraw/zinc/26/27/76/416262776.db2.gz RJEMEZYJSQPGOV-HZMBPMFUSA-N 1 0 315.377 0.777 10 0 DCAERO CCOc1cccc(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358706533 416270756 /nfs/dbraw/zinc/27/07/56/416270756.db2.gz NDPCNNMQENUWHF-KRWDZBQOSA-N 1 0 321.421 0.994 10 0 DCAERO COCCC[N@H+](CCO)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000189914870 416271738 /nfs/dbraw/zinc/27/17/38/416271738.db2.gz JYRURCKNWMJBFA-LSDHHAIUSA-N 1 0 314.426 0.487 10 0 DCAERO Cc1cc(F)cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000190047193 416272939 /nfs/dbraw/zinc/27/29/39/416272939.db2.gz GWIZWMBJFWVNQA-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO COC(=O)[C@](C)(O)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358901325 416292884 /nfs/dbraw/zinc/29/28/84/416292884.db2.gz JBRCGOSHZJNEQE-QGZVFWFLSA-N 1 0 320.389 0.936 10 0 DCAERO C[C@H](CNC(=O)NC[C@H](CO)C1CC1)C[NH+]1CCN(C)CC1 ZINC000358949742 416297068 /nfs/dbraw/zinc/29/70/68/416297068.db2.gz UCQHUSIMWRDYFQ-UKRRQHHQSA-N 1 0 312.458 0.188 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246825038 416332333 /nfs/dbraw/zinc/33/23/33/416332333.db2.gz DPPRNUZMXDKMOH-ZIAGYGMSSA-N 1 0 300.447 0.593 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000247221753 416332533 /nfs/dbraw/zinc/33/25/33/416332533.db2.gz MJJTVCBEMDMTOT-MNOVXSKESA-N 1 0 308.382 0.012 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C ZINC000248626589 416333692 /nfs/dbraw/zinc/33/36/92/416333692.db2.gz OFKBNVINPUOGPH-MBNYWOFBSA-N 1 0 321.425 0.364 10 0 DCAERO CC1=C(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)n2ncnc2N1C ZINC000248665248 416333935 /nfs/dbraw/zinc/33/39/35/416333935.db2.gz LQDJCPOLZHQLPO-STQMWFEESA-N 1 0 316.409 0.870 10 0 DCAERO CC(C)(C)n1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)nn1 ZINC000359686966 416353110 /nfs/dbraw/zinc/35/31/10/416353110.db2.gz OVHUJRPEGTWQMG-ZDUSSCGKSA-N 1 0 309.414 0.793 10 0 DCAERO CC(C)(C)n1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)nn1 ZINC000359686965 416353339 /nfs/dbraw/zinc/35/33/39/416353339.db2.gz OVHUJRPEGTWQMG-CYBMUJFWSA-N 1 0 309.414 0.793 10 0 DCAERO CCC[C@]1(COC)CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000194933715 416324691 /nfs/dbraw/zinc/32/46/91/416324691.db2.gz WSTRDRKJAVEODE-HZPDHXFCSA-N 1 0 300.443 0.961 10 0 DCAERO C[C@H]([NH3+])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000194858771 416325003 /nfs/dbraw/zinc/32/50/03/416325003.db2.gz CLZXHKDZJPWZMJ-WCQYABFASA-N 1 0 311.407 0.303 10 0 DCAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000195092187 416325260 /nfs/dbraw/zinc/32/52/60/416325260.db2.gz QFEBZJVDNDPZNK-ZDUSSCGKSA-N 1 0 305.378 0.379 10 0 DCAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230850012 416328076 /nfs/dbraw/zinc/32/80/76/416328076.db2.gz SXJTWGMKDZTTAI-WPRPVWTQSA-N 1 0 306.819 0.964 10 0 DCAERO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246191496 416331682 /nfs/dbraw/zinc/33/16/82/416331682.db2.gz VNEYRDJBGPUHLE-QLFBSQMISA-N 1 0 300.443 0.815 10 0 DCAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458433858 416467889 /nfs/dbraw/zinc/46/78/89/416467889.db2.gz QOTYAHOKWNGORN-KGLIPLIRSA-N 1 0 324.429 0.203 10 0 DCAERO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000361172552 416424358 /nfs/dbraw/zinc/42/43/58/416424358.db2.gz UNJLROQWZGKSBA-AWEZNQCLSA-N 1 0 319.405 0.509 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)Cc1nccn1C ZINC000361928840 416524400 /nfs/dbraw/zinc/52/44/00/416524400.db2.gz XNIKSYYCONLZFK-UHFFFAOYSA-N 1 0 318.381 0.874 10 0 DCAERO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC23CCC3)C1 ZINC000435557623 416526068 /nfs/dbraw/zinc/52/60/68/416526068.db2.gz JUAGEPKRDHEYNW-ZDUSSCGKSA-N 1 0 308.426 0.912 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1nnc2ccccn21 ZINC000536600826 416546034 /nfs/dbraw/zinc/54/60/34/416546034.db2.gz NAXSDMQUIPMKOB-LBPRGKRZSA-N 1 0 303.366 0.314 10 0 DCAERO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc2c(c1)OCO2 ZINC000362082075 416559660 /nfs/dbraw/zinc/55/96/60/416559660.db2.gz ZRDVCVFXCZPADK-GXTWGEPZSA-N 1 0 317.389 0.982 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000368635044 416677363 /nfs/dbraw/zinc/67/73/63/416677363.db2.gz QQKQDXFEFDDWRD-CYBMUJFWSA-N 1 0 323.418 0.467 10 0 DCAERO CCc1nncn1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545261999 416669116 /nfs/dbraw/zinc/66/91/16/416669116.db2.gz QGKOFBOXEPLCEZ-UHFFFAOYSA-N 1 0 306.414 0.792 10 0 DCAERO CN(CCCO)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000443266333 416745913 /nfs/dbraw/zinc/74/59/13/416745913.db2.gz FMMIPBRDEWPVAI-UHFFFAOYSA-N 1 0 307.394 0.570 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1COCCN1C ZINC000623713116 416874433 /nfs/dbraw/zinc/87/44/33/416874433.db2.gz SXLILYWGSGLHDM-VIFPVBQESA-N 1 0 303.204 0.603 10 0 DCAERO c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N2CCOCC2)n1 ZINC000564259083 416888741 /nfs/dbraw/zinc/88/87/41/416888741.db2.gz VYWZCDHPQSNFLZ-CYBMUJFWSA-N 1 0 303.410 1.209 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(C2CCC2)CC1 ZINC000631950677 416826703 /nfs/dbraw/zinc/82/67/03/416826703.db2.gz NQMKGESWFRRFNT-AWEZNQCLSA-N 1 0 302.440 0.817 10 0 DCAERO COCCC1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631953348 416830336 /nfs/dbraw/zinc/83/03/36/416830336.db2.gz IHTQNWUPWHHGFR-CYBMUJFWSA-N 1 0 306.428 0.053 10 0 DCAERO Cc1ncc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000560320358 416840544 /nfs/dbraw/zinc/84/05/44/416840544.db2.gz BGVSRIBLJRMYSM-GFCCVEGCSA-N 1 0 322.434 0.764 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631992916 416852235 /nfs/dbraw/zinc/85/22/35/416852235.db2.gz HCUGCBWAGGWGPS-ONGXEEELSA-N 1 0 318.830 0.836 10 0 DCAERO C[C@H]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000521596656 417019600 /nfs/dbraw/zinc/01/96/00/417019600.db2.gz SYXRDYTUJOXXNH-FIBILERRSA-N 1 0 323.437 0.802 10 0 DCAERO Cc1ccc(F)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000624386654 417025680 /nfs/dbraw/zinc/02/56/80/417025680.db2.gz RWHIEVKWWAQIOZ-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1cccc(Cl)c1F ZINC000624395380 417027054 /nfs/dbraw/zinc/02/70/54/417027054.db2.gz VCNBHBHMGFHVSX-UHFFFAOYSA-N 1 0 310.778 0.993 10 0 DCAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000624237949 416988092 /nfs/dbraw/zinc/98/80/92/416988092.db2.gz HSRKSCJDXFKPBW-TVYUQYBPSA-N 1 0 300.380 0.134 10 0 DCAERO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000447397158 416997364 /nfs/dbraw/zinc/99/73/64/416997364.db2.gz YXIPFNDDMVRTHV-SDDRHHMPSA-N 1 0 315.332 0.646 10 0 DCAERO CS[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1[NH+](C)C ZINC000375429633 417000761 /nfs/dbraw/zinc/00/07/61/417000761.db2.gz ZFSKUTBDIZJZIU-TVYUQYBPSA-N 1 0 309.439 0.414 10 0 DCAERO CC[C@H]1CN(c2nc(C)c(S(N)(=O)=O)s2)CC[C@@H]1[NH3+] ZINC000388723410 417095546 /nfs/dbraw/zinc/09/55/46/417095546.db2.gz WSMRVSXSGYVKBA-IUCAKERBSA-N 1 0 304.441 0.663 10 0 DCAERO C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000408326748 417153995 /nfs/dbraw/zinc/15/39/95/417153995.db2.gz PFVFVKDQGRYKPJ-XJKSGUPXSA-N 1 0 309.410 0.354 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000449749021 417175030 /nfs/dbraw/zinc/17/50/30/417175030.db2.gz OGIZKKAUVYGDBL-GFCCVEGCSA-N 1 0 311.407 0.465 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000526102102 417183006 /nfs/dbraw/zinc/18/30/06/417183006.db2.gz IKMWAYUHMRYPFO-UHFFFAOYSA-N 1 0 324.356 0.273 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000569157981 417221860 /nfs/dbraw/zinc/22/18/60/417221860.db2.gz WWRQHJTUPIORFH-FDYHWXHSSA-N 1 0 309.410 0.079 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)CC12COC2 ZINC000451131223 417300584 /nfs/dbraw/zinc/30/05/84/417300584.db2.gz GURJAZVSLITHKO-STQMWFEESA-N 1 0 310.394 0.507 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)CC12COC2 ZINC000451132523 417300780 /nfs/dbraw/zinc/30/07/80/417300780.db2.gz IWPHXNNCMVQRDB-OLZOCXBDSA-N 1 0 310.394 0.414 10 0 DCAERO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451132209 417303401 /nfs/dbraw/zinc/30/34/01/417303401.db2.gz IHEUJJCGVQTDFV-CHWSQXEVSA-N 1 0 312.410 0.803 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CC12COC2 ZINC000451138601 417305907 /nfs/dbraw/zinc/30/59/07/417305907.db2.gz QSFLNCMECYIPPY-QWHCGFSZSA-N 1 0 308.378 0.261 10 0 DCAERO C[N@H+](C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777698 417389771 /nfs/dbraw/zinc/38/97/71/417389771.db2.gz BMKNNHWYBDAFDD-MJBXVCDLSA-N 1 0 302.440 0.093 10 0 DCAERO NC(=O)C[C@]1(O)CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC000643808182 417380329 /nfs/dbraw/zinc/38/03/29/417380329.db2.gz VHWIHPFDDCNQQO-QGZVFWFLSA-N 1 0 303.406 0.751 10 0 DCAERO O=C(NCCn1ncnn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000531879230 417647605 /nfs/dbraw/zinc/64/76/05/417647605.db2.gz LVIJZFZAKJGWBX-UHFFFAOYSA-N 1 0 300.366 0.699 10 0 DCAERO CC(C)[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCCCC1 ZINC000458147297 417725582 /nfs/dbraw/zinc/72/55/82/417725582.db2.gz SIBBYFNYOPDHED-KBPBESRZSA-N 1 0 309.414 0.266 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)c(O)c1 ZINC000647040439 417976426 /nfs/dbraw/zinc/97/64/26/417976426.db2.gz XWHBCOOYYHFONM-KWQFWETISA-N 1 0 315.167 0.465 10 0 DCAERO O=C(CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1)NC1CC1 ZINC000191280386 545924765 /nfs/dbraw/zinc/92/47/65/545924765.db2.gz GJLANDLLMBPZHS-MRXNPFEDSA-N 1 0 309.454 0.824 10 0 DCAERO Cc1nccn1-c1cncc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000301969460 230012623 /nfs/dbraw/zinc/01/26/23/230012623.db2.gz BRSITHQIBFUYPX-OLZOCXBDSA-N 1 0 300.366 0.490 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1 ZINC000105924152 261107989 /nfs/dbraw/zinc/10/79/89/261107989.db2.gz TUSHHNMNMYFUKC-CYBMUJFWSA-N 1 0 310.398 0.726 10 0 DCAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000179613729 261112937 /nfs/dbraw/zinc/11/29/37/261112937.db2.gz NONKIFPLYVPVHL-GFCCVEGCSA-N 1 0 313.442 0.500 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1cnc2c(cnn2C)c1OC ZINC000183963357 261117124 /nfs/dbraw/zinc/11/71/24/261117124.db2.gz NQMWYVRJXGCMQK-UHFFFAOYSA-N 1 0 321.381 0.021 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000183991982 261117659 /nfs/dbraw/zinc/11/76/59/261117659.db2.gz ORZJOAWUUBEYHL-UHFFFAOYSA-N 1 0 323.422 0.588 10 0 DCAERO COc1ccc(COC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189280716 261132030 /nfs/dbraw/zinc/13/20/30/261132030.db2.gz FFGUDMCCOCGNJV-HIFRSBDPSA-N 1 0 322.405 0.783 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CCCCOC)CC1 ZINC000190907291 261135204 /nfs/dbraw/zinc/13/52/04/261135204.db2.gz PZBFCZCCZBYFEY-AWEZNQCLSA-N 1 0 321.487 0.358 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000363971859 262138064 /nfs/dbraw/zinc/13/80/64/262138064.db2.gz LQGJFBVZYGVYIY-INIZCTEOSA-N 1 0 324.469 0.834 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000393673482 262162111 /nfs/dbraw/zinc/16/21/11/262162111.db2.gz NNQRIPPPWKNROQ-SECBINFHSA-N 1 0 307.341 0.967 10 0 DCAERO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@H]1CC[NH2+]C1 ZINC000417833929 262263305 /nfs/dbraw/zinc/26/33/05/262263305.db2.gz JRPVDXBOEUVESZ-NSHDSACASA-N 1 0 303.366 0.651 10 0 DCAERO C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000358493743 271052875 /nfs/dbraw/zinc/05/28/75/271052875.db2.gz HGXSZOWWYWLVCG-MGPQQGTHSA-N 1 0 313.442 0.803 10 0 DCAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459691815 272004356 /nfs/dbraw/zinc/00/43/56/272004356.db2.gz HAEVIWLNDQDZKM-INIZCTEOSA-N 1 0 312.377 0.923 10 0 DCAERO CCc1oc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1C(=O)OC ZINC000459727540 272007533 /nfs/dbraw/zinc/00/75/33/272007533.db2.gz YSVSGOADBQHTSC-SNVBAGLBSA-N 1 0 308.338 0.371 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000528755298 287728584 /nfs/dbraw/zinc/72/85/84/287728584.db2.gz GMOQVAJHQSONOF-BUWBCJGYSA-N 1 0 311.426 0.515 10 0 DCAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-n2cnnn2)cc1 ZINC000180583420 274263670 /nfs/dbraw/zinc/26/36/70/274263670.db2.gz HYUNOJUUHYNQSG-YPMHNXCESA-N 1 0 310.365 0.919 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000247338093 276176583 /nfs/dbraw/zinc/17/65/83/276176583.db2.gz HKYIQUBMNCQHHT-MJBXVCDLSA-N 1 0 308.426 0.923 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000248419005 276177353 /nfs/dbraw/zinc/17/73/53/276177353.db2.gz UJESRFJMYDEGGJ-OLZOCXBDSA-N 1 0 308.426 0.781 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(C)cc3O)C2)CC1 ZINC000408106673 276200530 /nfs/dbraw/zinc/20/05/30/276200530.db2.gz YZBDREPDHIVTNO-AWEZNQCLSA-N 1 0 318.421 0.948 10 0 DCAERO CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000126592560 276359841 /nfs/dbraw/zinc/35/98/41/276359841.db2.gz YKTJJCQIUQRUDM-LLVKDONJSA-N 1 0 303.428 0.299 10 0 DCAERO CNC(=O)CC[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000170781501 277225778 /nfs/dbraw/zinc/22/57/78/277225778.db2.gz KACDSBKGJPTSQD-JTQLQIEISA-N 1 0 309.332 0.855 10 0 DCAERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333577432 277245721 /nfs/dbraw/zinc/24/57/21/277245721.db2.gz NEGTUXICMABYGU-RMRHIDDWSA-N 1 0 322.453 0.931 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)N(C(C)=O)C1 ZINC000329880811 277349590 /nfs/dbraw/zinc/34/95/90/277349590.db2.gz NWNALALMWRQZQY-QLFBSQMISA-N 1 0 309.410 0.319 10 0 DCAERO COC(=O)[C@H](O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245949687 277385284 /nfs/dbraw/zinc/38/52/84/277385284.db2.gz WPLWGYJFNZQHTK-BZUAXINKSA-N 1 0 305.374 0.891 10 0 DCAERO CC[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCOCC1 ZINC000333388243 287989615 /nfs/dbraw/zinc/98/96/15/287989615.db2.gz OKTGCYGYKIKGKU-OLZOCXBDSA-N 1 0 312.414 0.065 10 0 DCAERO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365793096 278133751 /nfs/dbraw/zinc/13/37/51/278133751.db2.gz DOOQYGXHVHRIRT-VXGBXAGGSA-N 1 0 317.455 0.399 10 0 DCAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)C(=O)N(C)C ZINC000247937597 278236132 /nfs/dbraw/zinc/23/61/32/278236132.db2.gz CQXSGDLYQFXGJX-XEZPLFJOSA-N 1 0 311.426 0.206 10 0 DCAERO CC1(C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000261687355 278298356 /nfs/dbraw/zinc/29/83/56/278298356.db2.gz AXBPDJCZFABCOS-NSHDSACASA-N 1 0 322.409 0.437 10 0 DCAERO CC1(C)CN(C(=O)c2cnc3ccccn3c2=O)CC[C@@H]1[NH3+] ZINC000261711388 278326314 /nfs/dbraw/zinc/32/63/14/278326314.db2.gz BXLBIXPKYDBLIV-LBPRGKRZSA-N 1 0 300.362 0.894 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246920553 278343230 /nfs/dbraw/zinc/34/32/30/278343230.db2.gz BGJZMVPGBCVRKD-STQMWFEESA-N 1 0 305.444 0.226 10 0 DCAERO C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCS1(=O)=O ZINC000329294106 278396988 /nfs/dbraw/zinc/39/69/88/278396988.db2.gz RTYWPAPTVQRGQN-QWHCGFSZSA-N 1 0 302.440 0.896 10 0 DCAERO CC(C)C(=O)NCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262405826 278689569 /nfs/dbraw/zinc/68/95/69/278689569.db2.gz CSNKSOTZOKHGBZ-XHBSWPGZSA-N 1 0 311.426 0.407 10 0 DCAERO Cn1ccnc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1=O ZINC000183883960 279372238 /nfs/dbraw/zinc/37/22/38/279372238.db2.gz YSGINZLUXFIMDO-LBPRGKRZSA-N 1 0 305.382 0.872 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000548300348 288129804 /nfs/dbraw/zinc/12/98/04/288129804.db2.gz CAUBDQBNQFJPOY-NWDGAFQWSA-N 1 0 309.353 0.635 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)C ZINC000192353177 279429387 /nfs/dbraw/zinc/42/93/87/279429387.db2.gz JQSCHDCTBDTBJF-FZMZJTMJSA-N 1 0 319.405 0.952 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000548376270 288137319 /nfs/dbraw/zinc/13/73/19/288137319.db2.gz SZMSWGNGGLHORY-UHFFFAOYSA-N 1 0 304.398 0.844 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCNC[C@H]2c2cccc(F)c2)O1 ZINC000262121094 279655632 /nfs/dbraw/zinc/65/56/32/279655632.db2.gz WHHMEKYVUZJWDI-ILXRZTDVSA-N 1 0 307.369 0.805 10 0 DCAERO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186328908 280018324 /nfs/dbraw/zinc/01/83/24/280018324.db2.gz OLTOSMJGAOSULF-LBPRGKRZSA-N 1 0 305.444 0.306 10 0 DCAERO CC[C@@H](C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1)[NH+](C)C ZINC000268917245 280070470 /nfs/dbraw/zinc/07/04/70/280070470.db2.gz PKBFHSANNXJKSX-MFKMUULPSA-N 1 0 307.398 0.555 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(F)ccc1F ZINC000550455773 288216353 /nfs/dbraw/zinc/21/63/53/288216353.db2.gz XTLSRENDRXEMHP-UHFFFAOYSA-N 1 0 313.348 0.991 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ncsc1Br ZINC000553534455 288302266 /nfs/dbraw/zinc/30/22/66/288302266.db2.gz OETRVTRSMZRMNC-JTQLQIEISA-N 1 0 322.228 0.948 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000553548378 288302643 /nfs/dbraw/zinc/30/26/43/288302643.db2.gz BZWZCXJVTIDJNB-UHFFFAOYSA-N 1 0 302.378 0.807 10 0 DCAERO Cc1nc2c(nccc2C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)[nH]1 ZINC000328918856 282020958 /nfs/dbraw/zinc/02/09/58/282020958.db2.gz AKVUFBJORBJMGN-OLZOCXBDSA-N 1 0 315.377 0.811 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000408314253 289581454 /nfs/dbraw/zinc/58/14/54/289581454.db2.gz RZBBILACJLYGML-CHWSQXEVSA-N 1 0 302.440 0.802 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]2C1 ZINC000408039270 290235826 /nfs/dbraw/zinc/23/58/26/290235826.db2.gz UJHJQESTNWJUID-VXGBXAGGSA-N 1 0 312.414 0.016 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@H](C)O1 ZINC000408331483 297048685 /nfs/dbraw/zinc/04/86/85/297048685.db2.gz NNJSFAAFAKAKCA-FRRDWIJNSA-N 1 0 305.444 0.366 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000184316022 297055530 /nfs/dbraw/zinc/05/55/30/297055530.db2.gz OQGQXSLLXRBUGV-OFTGVCEQSA-N 1 0 303.428 0.010 10 0 DCAERO NC(=O)N1CCN(c2ncnc3sc4c(c32)CC[NH2+]C4)CC1 ZINC000065422650 295065895 /nfs/dbraw/zinc/06/58/95/295065895.db2.gz GOAYVTGOGCITNU-UHFFFAOYSA-N 1 0 318.406 0.538 10 0 DCAERO [NH3+]C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCO1 ZINC000333768649 295260337 /nfs/dbraw/zinc/26/03/37/295260337.db2.gz DYCIGANTVJXOBM-QLFBSQMISA-N 1 0 311.426 0.206 10 0 DCAERO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333281862 304588924 /nfs/dbraw/zinc/58/89/24/304588924.db2.gz MPSIGJMJLFCANP-BPLDGKMQSA-N 1 0 319.409 0.986 10 0 DCAERO C[C@H]1CCNC(=O)[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000193917377 299996184 /nfs/dbraw/zinc/99/61/84/299996184.db2.gz KIJFIHIZMYGGDY-ABXWRUBCSA-N 1 0 310.442 0.931 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000193396490 300001552 /nfs/dbraw/zinc/00/15/52/300001552.db2.gz SHNQBPMBBUUVBN-QWRGUYRKSA-N 1 0 312.391 0.734 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000170843774 332885675 /nfs/dbraw/zinc/88/56/75/332885675.db2.gz WAOLYDPZMDDEOH-SNVBAGLBSA-N 1 0 322.340 0.026 10 0 DCAERO CCOC(=O)CNC(=O)C1CC[NH+](C[C@H](C)COC)CC1 ZINC000187473730 332971340 /nfs/dbraw/zinc/97/13/40/332971340.db2.gz BTHVTXXQXFSXPH-LBPRGKRZSA-N 1 0 300.399 0.660 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000582200444 335775775 /nfs/dbraw/zinc/77/57/75/335775775.db2.gz BHBTWAKEGJWTNE-SYQHCUMBSA-N 1 0 323.437 0.469 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000577652745 341927634 /nfs/dbraw/zinc/92/76/34/341927634.db2.gz XVGFIMZTEXORGV-BFHYXJOUSA-N 1 0 309.410 0.223 10 0 DCAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)O1 ZINC000178274697 341950609 /nfs/dbraw/zinc/95/06/09/341950609.db2.gz PTHLNBCUONBUBH-OCCSQVGLSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H](Oc1cccc(CO)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189413991 533943990 /nfs/dbraw/zinc/94/39/90/533943990.db2.gz KIPYSAJEAHIKGB-CQSZACIVSA-N 1 0 322.405 0.785 10 0 DCAERO CC(C)[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1nncn1C ZINC000560477908 517477784 /nfs/dbraw/zinc/47/77/84/517477784.db2.gz ONWBMAJMHZWAID-MCIONIFRSA-N 1 0 312.414 0.658 10 0 DCAERO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN1CCO ZINC000187301294 534415739 /nfs/dbraw/zinc/41/57/39/534415739.db2.gz ZDSHDECXDSNJHU-CQSZACIVSA-N 1 0 305.422 0.887 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000155439671 534442470 /nfs/dbraw/zinc/44/24/70/534442470.db2.gz AHQGVKFULWJXIL-TXEJJXNPSA-N 1 0 317.455 0.209 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC000247165363 519694685 /nfs/dbraw/zinc/69/46/85/519694685.db2.gz YCJWYMXCRYIDPK-GXTWGEPZSA-N 1 0 304.394 0.656 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000247303045 519862911 /nfs/dbraw/zinc/86/29/11/519862911.db2.gz GFQVKYPKJWPPHZ-QWHCGFSZSA-N 1 0 317.455 0.547 10 0 DCAERO C[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000187713026 534475683 /nfs/dbraw/zinc/47/56/83/534475683.db2.gz GUSCCIMUBBWVEA-CQSZACIVSA-N 1 0 301.394 0.766 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000119201991 520621510 /nfs/dbraw/zinc/62/15/10/520621510.db2.gz RJCUALSFDLVORU-CHWSQXEVSA-N 1 0 307.460 0.662 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247407980 520769482 /nfs/dbraw/zinc/76/94/82/520769482.db2.gz RMIUSCAYQUXYAH-OLZOCXBDSA-N 1 0 319.471 0.503 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1cccnc1 ZINC000124296517 521598158 /nfs/dbraw/zinc/59/81/58/521598158.db2.gz MRNYOKHZTKYZMY-AWEZNQCLSA-N 1 0 304.394 0.802 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(Cc2nccc(OC)c2OC)CC1 ZINC000190606602 522557334 /nfs/dbraw/zinc/55/73/34/522557334.db2.gz 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/nfs/dbraw/zinc/03/94/68/664039468.db2.gz CREGNESJFQRJDH-CZUORRHYSA-N 1 0 311.426 0.337 10 0 DCAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@](O)(CC(N)=O)C2)C1 ZINC000911343300 664039650 /nfs/dbraw/zinc/03/96/50/664039650.db2.gz CREGNESJFQRJDH-CJNGLKHVSA-N 1 0 311.426 0.337 10 0 DCAERO CNC(=O)C[C@]1(O)CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000911346856 664040529 /nfs/dbraw/zinc/04/05/29/664040529.db2.gz XBZLUWGSKMMXPE-CKEIUWERSA-N 1 0 323.437 0.493 10 0 DCAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230849609 664624841 /nfs/dbraw/zinc/62/48/41/664624841.db2.gz QFTPCLYQMIPIDS-SECBINFHSA-N 1 0 306.819 0.836 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CCCNC(=O)C(F)(F)F)CC1 ZINC000154857041 665190560 /nfs/dbraw/zinc/19/05/60/665190560.db2.gz PZVWLYHROVQIKF-NSHDSACASA-N 1 0 311.348 0.444 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452171740 666239296 /nfs/dbraw/zinc/23/92/96/666239296.db2.gz RQPBCHFMSDMKIC-BXUZGUMPSA-N 1 0 311.451 0.851 10 0 DCAERO 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COc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000193398265 670278134 /nfs/dbraw/zinc/27/81/34/670278134.db2.gz OLLACAXSWYXZRY-CMPLNLGQSA-N 1 0 314.407 0.980 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193408927 670279536 /nfs/dbraw/zinc/27/95/36/670279536.db2.gz TYLOYDGBWMMQFY-NEPJUHHUSA-N 1 0 300.428 0.815 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193461733 670287022 /nfs/dbraw/zinc/28/70/22/670287022.db2.gz VWCCTBPTPDYIRK-APPZFPTMSA-N 1 0 306.819 0.801 10 0 DCAERO CC(C)(C[NH2+]C[C@H](O)c1cc(F)ccc1F)NS(C)(=O)=O ZINC000111773048 670509857 /nfs/dbraw/zinc/50/98/57/670509857.db2.gz UYYITODMEDYXQV-LBPRGKRZSA-N 1 0 322.377 0.916 10 0 DCAERO Cc1c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cnn1C ZINC000717039999 671051089 /nfs/dbraw/zinc/05/10/89/671051089.db2.gz VAAIQCSAUGRYDX-VIFPVBQESA-N 1 0 308.354 0.252 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@@H]1n1ccnn1 ZINC000859759677 671144253 /nfs/dbraw/zinc/14/42/53/671144253.db2.gz 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/nfs/dbraw/zinc/05/34/09/685053409.db2.gz WPHFPOUTMRSBIB-IZZDOVSWSA-N 1 0 309.391 0.009 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccccc1Cl ZINC000038031237 685056981 /nfs/dbraw/zinc/05/69/81/685056981.db2.gz POPHILLDGHUQFH-UHFFFAOYSA-N 1 0 309.797 0.773 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSCN1C(C)=O ZINC000177821984 685149212 /nfs/dbraw/zinc/14/92/12/685149212.db2.gz LDQPJTWQYBQYRB-RDBSUJKOSA-N 1 0 311.451 0.993 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc(OC)c1 ZINC000247800946 685172757 /nfs/dbraw/zinc/17/27/57/685172757.db2.gz VBWFXYOZFAPCFF-ZBFHGGJFSA-N 1 0 322.405 0.956 10 0 DCAERO COCCC[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000078573977 1174238644 /nfs/dbraw/zinc/23/86/44/1174238644.db2.gz VECHDHTWMQMXJW-UHFFFAOYSA-N 1 0 311.426 0.459 10 0 DCAERO CCCn1cncc1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400262094 1189986884 /nfs/dbraw/zinc/98/68/84/1189986884.db2.gz IMNFZCPLFYPSNG-LBPRGKRZSA-N 1 0 300.428 0.807 10 0 DCAERO C[C@H]1C[C@H](NCc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679617 774062933 /nfs/dbraw/zinc/06/29/33/774062933.db2.gz QNFHFOPVVGSNFD-QWRGUYRKSA-N 1 0 310.402 0.945 10 0 DCAERO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250836103 776188240 /nfs/dbraw/zinc/18/82/40/776188240.db2.gz KVTHREIBHICALE-NDBYEHHHSA-N 1 0 300.424 0.601 10 0 DCAERO O=S1(=O)CCC[C@H]1CC[NH2+]CC1CCS(=O)(=O)CC1 ZINC000714368504 941472873 /nfs/dbraw/zinc/47/28/73/941472873.db2.gz MOPLFCVHWNISGP-LBPRGKRZSA-N 1 0 309.453 0.368 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CCO1 ZINC000333456587 282137374 /nfs/dbraw/zinc/13/73/74/282137374.db2.gz OQIKROYKSDVTRT-KBPBESRZSA-N 1 0 321.425 0.733 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ncc[nH]2)C1 ZINC000079004682 185145449 /nfs/dbraw/zinc/14/54/49/185145449.db2.gz HBNGMGHOYOLXJG-GFCCVEGCSA-N 1 0 312.439 0.975 10 0 DCAERO COC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)C1CCOCC1 ZINC000188044542 293152045 /nfs/dbraw/zinc/15/20/45/293152045.db2.gz JJQDHHATXOFEFU-HOCLYGCPSA-N 1 0 300.443 0.986 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000096996850 185395715 /nfs/dbraw/zinc/39/57/15/185395715.db2.gz QROUMNOJUXDSQF-UHFFFAOYSA-N 1 0 313.423 0.796 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000279788622 215146876 /nfs/dbraw/zinc/14/68/76/215146876.db2.gz HIQVMKJSPHURGL-MRXNPFEDSA-N 1 0 307.394 0.712 10 0 DCAERO NC(=O)c1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171901033 198004335 /nfs/dbraw/zinc/00/43/35/198004335.db2.gz TXLXZICCQKNABY-AWEZNQCLSA-N 1 0 302.378 0.775 10 0 DCAERO COCCNC(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000171987066 198020708 /nfs/dbraw/zinc/02/07/08/198020708.db2.gz SJKWHFODUSYTFK-CQSZACIVSA-N 1 0 304.394 0.742 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2cccc(CO)c2)CCO1 ZINC000172134350 198044874 /nfs/dbraw/zinc/04/48/74/198044874.db2.gz CBRAHSXNEMOQMX-HNNXBMFYSA-N 1 0 307.394 0.651 10 0 DCAERO CCOC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072975344 191261422 /nfs/dbraw/zinc/26/14/22/191261422.db2.gz YGGSEEMCQCDGMP-KGLIPLIRSA-N 1 0 311.426 0.459 10 0 DCAERO CCCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@@H]1CC[NH2+]C1 ZINC000262568132 282995335 /nfs/dbraw/zinc/99/53/35/282995335.db2.gz FMWXEMYXSBYSAC-CYBMUJFWSA-N 1 0 308.430 0.156 10 0 DCAERO CCCC[C@H](C[NH3+])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000236900114 202060243 /nfs/dbraw/zinc/06/02/43/202060243.db2.gz HQJWSGNWZVJBQK-LLVKDONJSA-N 1 0 318.377 0.324 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000180131148 199121671 /nfs/dbraw/zinc/12/16/71/199121671.db2.gz RCHFHXQYWDIAKM-CQSZACIVSA-N 1 0 317.393 0.254 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000186861752 200023724 /nfs/dbraw/zinc/02/37/24/200023724.db2.gz JMLKMNRTHSVUJG-BXUZGUMPSA-N 1 0 307.369 0.599 10 0 DCAERO Cc1ccc([C@@H](O)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000188384852 200237560 /nfs/dbraw/zinc/23/75/60/200237560.db2.gz QBRNKYSONWRKJO-AWEZNQCLSA-N 1 0 300.362 0.827 10 0 DCAERO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000154675414 291215090 /nfs/dbraw/zinc/21/50/90/291215090.db2.gz DTNIQBNRCHNUJP-LBPRGKRZSA-N 1 0 312.414 0.411 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCO1 ZINC000155256715 291218396 /nfs/dbraw/zinc/21/83/96/291218396.db2.gz XCEDRVMVYWWUKO-CQSZACIVSA-N 1 0 302.378 0.457 10 0 DCAERO C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000157930407 296014006 /nfs/dbraw/zinc/01/40/06/296014006.db2.gz RPYVKXMNIIVIPT-GMSGAONNSA-N 1 0 302.783 0.974 10 0 DCAERO Cc1nn(C)c(C)c1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000261715499 238165373 /nfs/dbraw/zinc/16/53/73/238165373.db2.gz VWLQUTFWVOSFEF-LBPRGKRZSA-N 1 0 317.397 0.483 10 0 DCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000085376431 283629963 /nfs/dbraw/zinc/62/99/63/283629963.db2.gz IBZPEVIWQXXYAQ-YUMQZZPRSA-N 1 0 303.288 0.767 10 0 DCAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000261985530 296069028 /nfs/dbraw/zinc/06/90/28/296069028.db2.gz SCVHSLASQOYKJH-VGWMRTNUSA-N 1 0 307.438 0.840 10 0 DCAERO COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543580 193071363 /nfs/dbraw/zinc/07/13/63/193071363.db2.gz AGVUMWRAWKSHMF-BDAKNGLRSA-N 1 0 313.379 0.409 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000567680874 291369456 /nfs/dbraw/zinc/36/94/56/291369456.db2.gz GYPCCCSKQGGROW-IUODEOHRSA-N 1 0 318.377 0.899 10 0 DCAERO Cc1cnc(CC[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)s1 ZINC000093807355 193310422 /nfs/dbraw/zinc/31/04/22/193310422.db2.gz XPYXSLHISIUGST-UHFFFAOYSA-N 1 0 308.407 0.523 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000189684988 299475604 /nfs/dbraw/zinc/47/56/04/299475604.db2.gz ISVDWVJCEBNWGV-DOTOQJQBSA-N 1 0 319.449 0.684 10 0 DCAERO Cc1cc(C)n(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(=O)n1 ZINC000274163221 211393029 /nfs/dbraw/zinc/39/30/29/211393029.db2.gz FSHWNIBPIBFCNZ-KBPBESRZSA-N 1 0 304.394 0.555 10 0 DCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882642 194156107 /nfs/dbraw/zinc/15/61/07/194156107.db2.gz XOTZVEPVCLYDIK-LBPRGKRZSA-N 1 0 308.386 0.226 10 0 DCAERO Cc1ccccc1CCNC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927300 194172503 /nfs/dbraw/zinc/17/25/03/194172503.db2.gz XCFLRRAPYGPBPX-KRWDZBQOSA-N 1 0 319.449 0.916 10 0 DCAERO COCCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000106788193 194253070 /nfs/dbraw/zinc/25/30/70/194253070.db2.gz MWIULOHQDINXJL-UONOGXRCSA-N 1 0 323.437 0.614 10 0 DCAERO C[NH+](C)C1(Cn2c(=O)[nH]c3ccccc3c2=O)CCOCC1 ZINC000073159088 252584461 /nfs/dbraw/zinc/58/44/61/252584461.db2.gz SRNZYTDQMPNOQC-UHFFFAOYSA-N 1 0 303.362 0.801 10 0 DCAERO Cn1c(=O)n2c(c1C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCCC2 ZINC000333166338 252688905 /nfs/dbraw/zinc/68/89/05/252688905.db2.gz JIWXHGFSJCMDAB-STQMWFEESA-N 1 0 318.421 0.880 10 0 DCAERO Cc1cc(CN2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)on1 ZINC000333661670 252749533 /nfs/dbraw/zinc/74/95/33/252749533.db2.gz LPWYMVKLPHASLP-CQSZACIVSA-N 1 0 321.425 0.952 10 0 DCAERO Cc1noc([C@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)CCN2C)n1 ZINC000333876143 252771338 /nfs/dbraw/zinc/77/13/38/252771338.db2.gz VJMJMHSSEFITAW-CHWSQXEVSA-N 1 0 322.413 0.518 10 0 DCAERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000408374629 285211356 /nfs/dbraw/zinc/21/13/56/285211356.db2.gz IMOKYAINLFPKAT-BFHYXJOUSA-N 1 0 308.426 0.733 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000171104514 285231517 /nfs/dbraw/zinc/23/15/17/285231517.db2.gz HMQNIZSJTIWQFS-CQSZACIVSA-N 1 0 312.458 0.881 10 0 DCAERO CO[C@@H]1CCN(C(=O)c2ccnn2C)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000248039764 257112222 /nfs/dbraw/zinc/11/22/22/257112222.db2.gz NYFNJODLPHCYNQ-VNQPRFMTSA-N 1 0 318.421 0.991 10 0 DCAERO CNC(=O)[C@@]12C[N@H+](CC3CC3)C[C@@H]1N(c1ncccn1)CCC2 ZINC000247982733 257113479 /nfs/dbraw/zinc/11/34/79/257113479.db2.gz YCLRAJVSWVXFIC-YOEHRIQHSA-N 1 0 315.421 0.903 10 0 DCAERO 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CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(=O)OC ZINC000193628528 395774340 /nfs/dbraw/zinc/77/43/40/395774340.db2.gz NULJGKUUOSOHRI-XPCVCDNBSA-N 1 0 311.426 0.184 10 0 DCAERO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193651069 395775804 /nfs/dbraw/zinc/77/58/04/395775804.db2.gz WSVXXVCRFMEJGN-XQLPTFJDSA-N 1 0 322.453 0.884 10 0 DCAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194874322 395810352 /nfs/dbraw/zinc/81/03/52/395810352.db2.gz KIIAMNIWDFWSBO-ZDUSSCGKSA-N 1 0 302.378 0.298 10 0 DCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000195209230 395820853 /nfs/dbraw/zinc/82/08/53/395820853.db2.gz BZJRKMXOGHOXHK-OLZOCXBDSA-N 1 0 308.444 0.178 10 0 DCAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000195298095 395824022 /nfs/dbraw/zinc/82/40/22/395824022.db2.gz YIQQQFVNJDWCBB-ZDUSSCGKSA-N 1 0 305.382 0.030 10 0 DCAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000113199043 395828418 /nfs/dbraw/zinc/82/84/18/395828418.db2.gz WESSMFGSEOJMQL-GFCCVEGCSA-N 1 0 324.425 0.698 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505893 395830049 /nfs/dbraw/zinc/83/00/49/395830049.db2.gz OROBGEKDRDABDM-CYBMUJFWSA-N 1 0 319.409 0.313 10 0 DCAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(=O)[nH]n2)ccc1F ZINC000115417642 395839801 /nfs/dbraw/zinc/83/98/01/395839801.db2.gz UJVBECQHXFURGS-UHFFFAOYSA-N 1 0 304.325 0.901 10 0 DCAERO CC(=O)NCc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116790349 395846276 /nfs/dbraw/zinc/84/62/76/395846276.db2.gz BAXNZLKMWRWYHS-MRXNPFEDSA-N 1 0 319.405 0.725 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCO1 ZINC000116977903 395849790 /nfs/dbraw/zinc/84/97/90/395849790.db2.gz ZOOXNHYDPQIYHX-LLVKDONJSA-N 1 0 311.407 0.267 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cccc(O)c2)CCO1 ZINC000117043927 395850749 /nfs/dbraw/zinc/85/07/49/395850749.db2.gz WSBIXNMMYKZIQK-OAHLLOKOSA-N 1 0 307.394 0.907 10 0 DCAERO CCC(CC)CS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000236647623 395895042 /nfs/dbraw/zinc/89/50/42/395895042.db2.gz PGUQZGOYFRBIFU-CYBMUJFWSA-N 1 0 319.471 0.539 10 0 DCAERO CN1C(=O)N(CC(=O)N[C@H]2CCC[NH2+]C2)C(=O)C12CCCCC2 ZINC000237103790 395902849 /nfs/dbraw/zinc/90/28/49/395902849.db2.gz KTWQTSOHZYNUEU-LBPRGKRZSA-N 1 0 322.409 0.452 10 0 DCAERO COCC[NH2+]CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000237141592 395904242 /nfs/dbraw/zinc/90/42/42/395904242.db2.gz JZKSAFYRTPPZOQ-CQSZACIVSA-N 1 0 305.378 0.486 10 0 DCAERO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 ZINC000237357229 395911378 /nfs/dbraw/zinc/91/13/78/395911378.db2.gz NSTKYCCPPHIMQI-SNVBAGLBSA-N 1 0 317.345 0.664 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000055292476 395916279 /nfs/dbraw/zinc/91/62/79/395916279.db2.gz LJKCWMXQYVEUMT-RYUDHWBXSA-N 1 0 317.455 0.557 10 0 DCAERO [NH3+][C@H]1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)C1 ZINC000238061490 395920359 /nfs/dbraw/zinc/92/03/59/395920359.db2.gz 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/nfs/dbraw/zinc/88/24/25/395882425.db2.gz MCUGPFQWZOYFQE-SECBINFHSA-N 1 0 306.819 0.694 10 0 DCAERO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624926 395932939 /nfs/dbraw/zinc/93/29/39/395932939.db2.gz ORIJUJODRDMCIC-CVEARBPZSA-N 1 0 322.453 0.368 10 0 DCAERO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000245802944 395936644 /nfs/dbraw/zinc/93/66/44/395936644.db2.gz BBSDBXSITHLWEL-HOTGVXAUSA-N 1 0 312.373 0.842 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000246055971 395940369 /nfs/dbraw/zinc/94/03/69/395940369.db2.gz AIKLGXVWVISWLU-JYJNAYRXSA-N 1 0 324.469 0.833 10 0 DCAERO COC(=O)Cn1cc(CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nn1 ZINC000246072380 395940963 /nfs/dbraw/zinc/94/09/63/395940963.db2.gz DCTKAFRAFQXECE-OCCSQVGLSA-N 1 0 307.398 0.162 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000246109223 395941338 /nfs/dbraw/zinc/94/13/38/395941338.db2.gz BUNMUUNSHZEGOS-KBPBESRZSA-N 1 0 301.431 0.805 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCN(C(C)=O)CC1 ZINC000246214854 395944525 /nfs/dbraw/zinc/94/45/25/395944525.db2.gz CQJCSHMTTOQNHF-CVEARBPZSA-N 1 0 322.453 0.236 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)NCC(F)(F)F ZINC000246229908 395944535 /nfs/dbraw/zinc/94/45/35/395944535.db2.gz RUGVLBUUCOGVHI-SNVBAGLBSA-N 1 0 322.331 0.545 10 0 DCAERO CCn1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000246368215 395947942 /nfs/dbraw/zinc/94/79/42/395947942.db2.gz IVRICFYKRBWBLM-YPMHNXCESA-N 1 0 307.398 0.686 10 0 DCAERO CCn1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000246368200 395947957 /nfs/dbraw/zinc/94/79/57/395947957.db2.gz IVRICFYKRBWBLM-DGCLKSJQSA-N 1 0 307.398 0.686 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246394069 395948816 /nfs/dbraw/zinc/94/88/16/395948816.db2.gz OSAROVCENALYQE-KBPBESRZSA-N 1 0 323.441 0.670 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246394085 395948900 /nfs/dbraw/zinc/94/89/00/395948900.db2.gz OSAROVCENALYQE-KGLIPLIRSA-N 1 0 323.441 0.670 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1N1CCOCC1 ZINC000246446973 395949767 /nfs/dbraw/zinc/94/97/67/395949767.db2.gz MNDRTGRFPBINPD-XJKSGUPXSA-N 1 0 321.465 0.944 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)NCC(F)(F)F ZINC000246622400 395954398 /nfs/dbraw/zinc/95/43/98/395954398.db2.gz JZTBUKYDBPVPKG-UTLUCORTSA-N 1 0 307.316 0.702 10 0 DCAERO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)cn1 ZINC000246795578 395957872 /nfs/dbraw/zinc/95/78/72/395957872.db2.gz ASHOFJCVHHJUAN-BMFZPTHFSA-N 1 0 309.410 0.766 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246815375 395958551 /nfs/dbraw/zinc/95/85/51/395958551.db2.gz BZFVQFZKFFMWNX-IGQOVBAYSA-N 1 0 319.471 0.659 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000246961650 395961474 /nfs/dbraw/zinc/96/14/74/395961474.db2.gz PPWXJKGOXXEJKP-STQMWFEESA-N 1 0 319.409 0.753 10 0 DCAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2CCOCC2)C1(C)C ZINC000246969057 395962541 /nfs/dbraw/zinc/96/25/41/395962541.db2.gz GONTVNOOPCANSW-QLFBSQMISA-N 1 0 300.443 0.815 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(C(N)=O)o2)C1 ZINC000247083331 395966046 /nfs/dbraw/zinc/96/60/46/395966046.db2.gz JGMKFIABKWNIAI-ZYHUDNBSSA-N 1 0 308.382 0.906 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccccc2F)C[C@H]1C ZINC000247095435 395966946 /nfs/dbraw/zinc/96/69/46/395966946.db2.gz HXLFALDGGLACRS-KGLIPLIRSA-N 1 0 323.412 0.829 10 0 DCAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000247399420 395972466 /nfs/dbraw/zinc/97/24/66/395972466.db2.gz WYSKORCDPZCOQR-LSDHHAIUSA-N 1 0 312.458 0.690 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455943 395973881 /nfs/dbraw/zinc/97/38/81/395973881.db2.gz ZXCFBNVCNPIYOB-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247553630 395976190 /nfs/dbraw/zinc/97/61/90/395976190.db2.gz ZMTKCKRCQXOMLC-MCIONIFRSA-N 1 0 308.426 0.875 10 0 DCAERO CC(C)(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000248600849 395990114 /nfs/dbraw/zinc/99/01/14/395990114.db2.gz IZSJBLDFHSDYAU-SRVKXCTJSA-N 1 0 319.409 0.703 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000153895384 396026858 /nfs/dbraw/zinc/02/68/58/396026858.db2.gz GAGFVKGHINZYEO-LBPRGKRZSA-N 1 0 319.471 0.695 10 0 DCAERO O=C(NC[C@H]1CCCCS1(=O)=O)N[C@H]1CCCC[NH2+]C1 ZINC000258495690 396047145 /nfs/dbraw/zinc/04/71/45/396047145.db2.gz LUTFRUOMPWMOMW-NWDGAFQWSA-N 1 0 303.428 0.395 10 0 DCAERO COCC(=O)N[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000155504943 396053506 /nfs/dbraw/zinc/05/35/06/396053506.db2.gz XACTULROTSIMKQ-YDHLFZDLSA-N 1 0 313.442 0.619 10 0 DCAERO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000261668956 396054729 /nfs/dbraw/zinc/05/47/29/396054729.db2.gz HBEKEDPQLIPISM-LBPRGKRZSA-N 1 0 322.384 0.551 10 0 DCAERO [NH3+]C1(C(=O)NCc2ccn(-c3ccccc3)n2)CCOCC1 ZINC000261753072 396062201 /nfs/dbraw/zinc/06/22/01/396062201.db2.gz FIOVYCGHWMMXGC-UHFFFAOYSA-N 1 0 300.362 0.996 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H](C[NH3+])C3CC3)ccn2)CC1 ZINC000159284935 396066449 /nfs/dbraw/zinc/06/64/49/396066449.db2.gz QCXCWTIWUBKGKK-CQSZACIVSA-N 1 0 303.410 0.301 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000249134378 396003673 /nfs/dbraw/zinc/00/36/73/396003673.db2.gz DKYGUFYJQHRMJL-NEPJUHHUSA-N 1 0 305.382 0.444 10 0 DCAERO c1nc2cncc(N3CC[NH+](C[C@H]4CCCCO4)CC3)n2n1 ZINC000276510092 396005589 /nfs/dbraw/zinc/00/55/89/396005589.db2.gz PYEWOIREAXGYIN-CYBMUJFWSA-N 1 0 302.382 0.815 10 0 DCAERO COCC[NH2+]CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000152399844 396008206 /nfs/dbraw/zinc/00/82/06/396008206.db2.gz JVOSMVXQKGUANM-UHFFFAOYSA-N 1 0 303.362 0.354 10 0 DCAERO CNS(=O)(=O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000249943613 396013495 /nfs/dbraw/zinc/01/34/95/396013495.db2.gz UAHKHMFUZBDHTJ-DZGCQCFKSA-N 1 0 311.451 0.646 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)CC(=O)NC(=O)NC1CC1 ZINC000261837159 396071012 /nfs/dbraw/zinc/07/10/12/396071012.db2.gz WEGUUPFEJYAJHV-UHFFFAOYSA-N 1 0 304.394 0.478 10 0 DCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261994093 396088657 /nfs/dbraw/zinc/08/86/57/396088657.db2.gz TWHNRQKEFKDYQX-DMRZNYOFSA-N 1 0 320.437 0.900 10 0 DCAERO CC(C)OCCN1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262011962 396090066 /nfs/dbraw/zinc/09/00/66/396090066.db2.gz OFHDNOUGGFTDNL-HNNXBMFYSA-N 1 0 313.442 0.310 10 0 DCAERO COCC(=O)NC[C@H]1CCN(Cc2ccc[nH]2)C[C@H]1[NH+](C)C ZINC000169788931 396093636 /nfs/dbraw/zinc/09/36/36/396093636.db2.gz KRRWEBRQRMJINL-UKRRQHHQSA-N 1 0 308.426 0.529 10 0 DCAERO Cc1nc2cncc(N3CCN(C[C@]4(C)CC[NH2+]C4)CC3)n2n1 ZINC000262106204 396099496 /nfs/dbraw/zinc/09/94/96/396099496.db2.gz VZMRTZPMDXSCIW-MRXNPFEDSA-N 1 0 315.425 0.554 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)C3(C[NH3+])CCOCC3)C2)cn1 ZINC000262148452 396104468 /nfs/dbraw/zinc/10/44/68/396104468.db2.gz HPFCLTSIPBGHFT-ZDUSSCGKSA-N 1 0 321.425 0.261 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000262188114 396108715 /nfs/dbraw/zinc/10/87/15/396108715.db2.gz CACRNRQAYQPISV-ZIAGYGMSSA-N 1 0 305.378 0.580 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310389 396112424 /nfs/dbraw/zinc/11/24/24/396112424.db2.gz YQRSENWINAFQMP-SNVBAGLBSA-N 1 0 316.379 0.665 10 0 DCAERO O=C(c1ccc(N2CCCC2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171299847 396113919 /nfs/dbraw/zinc/11/39/19/396113919.db2.gz GSECMXHELHQFQC-ZDUSSCGKSA-N 1 0 301.394 0.997 10 0 DCAERO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262292446 396119069 /nfs/dbraw/zinc/11/90/69/396119069.db2.gz HSAPDBRDPYZEMN-CJNGLKHVSA-N 1 0 310.442 0.269 10 0 DCAERO Cn1cc(CN2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)cn1 ZINC000171632273 396120219 /nfs/dbraw/zinc/12/02/19/396120219.db2.gz GCOMOEKTBRILMA-INIZCTEOSA-N 1 0 318.425 0.185 10 0 DCAERO C[C@@H](N1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1)C(F)(F)F ZINC000262329043 396124799 /nfs/dbraw/zinc/12/47/99/396124799.db2.gz SCVCLZMNIZKMJV-LLVKDONJSA-N 1 0 323.359 0.837 10 0 DCAERO O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262333286 396125176 /nfs/dbraw/zinc/12/51/76/396125176.db2.gz SLGLPENEHWAMLE-GHMZBOCLSA-N 1 0 322.390 0.427 10 0 DCAERO CCCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000171883070 396127412 /nfs/dbraw/zinc/12/74/12/396127412.db2.gz UGJAEMJFSMICIX-CQSZACIVSA-N 1 0 311.426 0.208 10 0 DCAERO COC[C@@H](O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000171973364 396127656 /nfs/dbraw/zinc/12/76/56/396127656.db2.gz JEJSHACASNWDJR-HNNXBMFYSA-N 1 0 310.442 0.763 10 0 DCAERO Cn1ccnc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362869 396129915 /nfs/dbraw/zinc/12/99/15/396129915.db2.gz WPYLHVNHWSUTHA-KGLIPLIRSA-N 1 0 305.426 0.500 10 0 DCAERO [NH3+][C@@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)C1CCOCC1 ZINC000261874279 396073950 /nfs/dbraw/zinc/07/39/50/396073950.db2.gz UADJTAGLWXOHPF-CQSZACIVSA-N 1 0 308.382 0.996 10 0 DCAERO CN(C)C(=O)C1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000261914042 396078862 /nfs/dbraw/zinc/07/88/62/396078862.db2.gz GQDBIJCSNLXSGJ-OAHLLOKOSA-N 1 0 303.406 0.883 10 0 DCAERO O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261951023 396083379 /nfs/dbraw/zinc/08/33/79/396083379.db2.gz NDDSMXOLMWGIQX-GJZGRUSLSA-N 1 0 305.378 0.180 10 0 DCAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000261962020 396084422 /nfs/dbraw/zinc/08/44/22/396084422.db2.gz XXGIQDPUPRFQOW-CQSZACIVSA-N 1 0 319.409 0.878 10 0 DCAERO [NH3+]CC1(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCOCC1 ZINC000261958497 396084483 /nfs/dbraw/zinc/08/44/83/396084483.db2.gz XJTJGTGDCUGKMG-CYBMUJFWSA-N 1 0 319.409 0.317 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(Cl)cc1-n1cncn1 ZINC000263243842 396208324 /nfs/dbraw/zinc/20/83/24/396208324.db2.gz PAPDTXFBAIDQDV-RISCZKNCSA-N 1 0 307.785 0.591 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262492594 396146955 /nfs/dbraw/zinc/14/69/55/396146955.db2.gz ZQDRTIWZSSOCFS-JYJNAYRXSA-N 1 0 310.486 0.764 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1nc2c(s1)CCCC2 ZINC000263248166 396209587 /nfs/dbraw/zinc/20/95/87/396209587.db2.gz NWFSEJZURGYEMF-AWEZNQCLSA-N 1 0 324.450 0.738 10 0 DCAERO COc1ncc(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175999901 396147780 /nfs/dbraw/zinc/14/77/80/396147780.db2.gz WRHPGZWZTGCLSS-NSHDSACASA-N 1 0 306.366 0.500 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000262547749 396153612 /nfs/dbraw/zinc/15/36/12/396153612.db2.gz RYIPFLAOTKKGSS-CPUCHLNUSA-N 1 0 307.438 0.826 10 0 DCAERO Cc1nn2c(CNC[C@@H]3C[NH2+]C[C@H]3O)c(C(C)C)nc2s1 ZINC000263263111 396210095 /nfs/dbraw/zinc/21/00/95/396210095.db2.gz RFQLLCHARGLHTI-ZYHUDNBSSA-N 1 0 309.439 0.893 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc3c(c2)NC(=O)CO3)n1 ZINC000263261405 396210207 /nfs/dbraw/zinc/21/02/07/396210207.db2.gz RAOGRRJIUGTFGE-NSHDSACASA-N 1 0 315.333 0.644 10 0 DCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270658 396210254 /nfs/dbraw/zinc/21/02/54/396210254.db2.gz SDGMUVDVCPHOGP-GDBMZVCRSA-N 1 0 304.369 0.740 10 0 DCAERO CSCC[C@H](NC(N)=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262598801 396159676 /nfs/dbraw/zinc/15/96/76/396159676.db2.gz WKZDXNJWCFXLHY-NEPJUHHUSA-N 1 0 310.423 0.593 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000263265311 396210308 /nfs/dbraw/zinc/21/03/08/396210308.db2.gz UZIRYCQMWTXLPO-OCCSQVGLSA-N 1 0 307.398 0.146 10 0 DCAERO CS(=O)(=O)CC1(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000176779150 396161012 /nfs/dbraw/zinc/16/10/12/396161012.db2.gz HNTKTSUMSCKCOR-GFCCVEGCSA-N 1 0 300.424 0.508 10 0 DCAERO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CCO2)cn1 ZINC000279255051 396161651 /nfs/dbraw/zinc/16/16/51/396161651.db2.gz UYRIZFBKMZTOSF-GJZGRUSLSA-N 1 0 304.394 0.947 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CC(=O)NCc1ccccc1OC ZINC000177404674 396174425 /nfs/dbraw/zinc/17/44/25/396174425.db2.gz XCOPLNLESADXIQ-INIZCTEOSA-N 1 0 310.394 0.689 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000177452105 396175838 /nfs/dbraw/zinc/17/58/38/396175838.db2.gz DAKKQDQGLHOFOP-LBPRGKRZSA-N 1 0 317.393 0.723 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1=O ZINC000262734433 396177152 /nfs/dbraw/zinc/17/71/52/396177152.db2.gz IHDVJIADPPROKJ-OLZOCXBDSA-N 1 0 316.405 0.937 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1=O ZINC000262734432 396177159 /nfs/dbraw/zinc/17/71/59/396177159.db2.gz IHDVJIADPPROKJ-CHWSQXEVSA-N 1 0 316.405 0.937 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000262742323 396177956 /nfs/dbraw/zinc/17/79/56/396177956.db2.gz CSNMHQVPNVMIHA-UWVGGRQHSA-N 1 0 316.379 0.733 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262744165 396178007 /nfs/dbraw/zinc/17/80/07/396178007.db2.gz CZXVKQUFFQGSDE-JQWIXIFHSA-N 1 0 312.391 0.750 10 0 DCAERO CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)COC)C[C@H]2CO)c1 ZINC000075403556 396179950 /nfs/dbraw/zinc/17/99/50/396179950.db2.gz YTBWKYFRPRMHDY-GJZGRUSLSA-N 1 0 322.405 0.783 10 0 DCAERO Cc1c(F)cccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177679513 396181198 /nfs/dbraw/zinc/18/11/98/396181198.db2.gz YVNXGRTUKWRHKZ-LBPRGKRZSA-N 1 0 323.368 0.862 10 0 DCAERO CSCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262785966 396182175 /nfs/dbraw/zinc/18/21/75/396182175.db2.gz JROYXBJZPVWDCN-LBPRGKRZSA-N 1 0 311.407 0.319 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262790497 396182255 /nfs/dbraw/zinc/18/22/55/396182255.db2.gz RNKPXHDUPRCOCH-PSASIEDQSA-N 1 0 308.354 0.425 10 0 DCAERO C[C@H]1[NH2+]CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H]1C ZINC000262789389 396182360 /nfs/dbraw/zinc/18/23/60/396182360.db2.gz MTLKMNGSPXTBIA-GHMZBOCLSA-N 1 0 316.361 0.311 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cs1 ZINC000262808372 396183937 /nfs/dbraw/zinc/18/39/37/396183937.db2.gz XKTMEBIDGVJEMB-PSASIEDQSA-N 1 0 318.420 0.811 10 0 DCAERO Cc1cccc([C@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)c1 ZINC000263290565 396211836 /nfs/dbraw/zinc/21/18/36/396211836.db2.gz LJXQITHDSXNATB-INIZCTEOSA-N 1 0 303.406 0.704 10 0 DCAERO O=C([C@H]1CCCn2ccnc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178125898 396189294 /nfs/dbraw/zinc/18/92/94/396189294.db2.gz RVFLUJWFEWVLLQ-GJZGRUSLSA-N 1 0 318.421 0.941 10 0 DCAERO C[N@H+](CCN1CCN([C@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201288 396190921 /nfs/dbraw/zinc/19/09/21/396190921.db2.gz PSCPVQGJZGNJAD-KRWDZBQOSA-N 1 0 316.449 0.625 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263111574 396202058 /nfs/dbraw/zinc/20/20/58/396202058.db2.gz DWHBHARNCFVQQK-HNNXBMFYSA-N 1 0 320.393 0.707 10 0 DCAERO CC[C@H]1CN(C(=O)NCCn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000181769501 396242204 /nfs/dbraw/zinc/24/22/04/396242204.db2.gz NMARFCQFIMRSMN-KGLIPLIRSA-N 1 0 309.414 0.370 10 0 DCAERO NC(=O)C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CCCCC1 ZINC000182013645 396244902 /nfs/dbraw/zinc/24/49/02/396244902.db2.gz JHZDVIZKDYTXAW-GJZGRUSLSA-N 1 0 313.442 0.093 10 0 DCAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCn1ccnn1 ZINC000182471048 396250754 /nfs/dbraw/zinc/25/07/54/396250754.db2.gz RTOJRHXNTMHRIV-AWEZNQCLSA-N 1 0 324.429 0.420 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)CCO1 ZINC000183039520 396259128 /nfs/dbraw/zinc/25/91/28/396259128.db2.gz QPXKEYVBLPHAOL-ZDUSSCGKSA-N 1 0 315.377 0.670 10 0 DCAERO CCOCCN1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183594985 396271507 /nfs/dbraw/zinc/27/15/07/396271507.db2.gz BTYYRFXADMWXGJ-UHFFFAOYSA-N 1 0 310.350 0.861 10 0 DCAERO O=C(NCc1cccc(OCCN2CCOCC2)c1)C1C[NH2+]C1 ZINC000263329213 396214412 /nfs/dbraw/zinc/21/44/12/396214412.db2.gz UKWULZBTPWKZOA-UHFFFAOYSA-N 1 0 319.405 0.233 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)N(Cc1ccccc1)C1CC1 ZINC000179177784 396223503 /nfs/dbraw/zinc/22/35/03/396223503.db2.gz YSFUPDAMOMHWHX-CVEARBPZSA-N 1 0 304.390 0.605 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCOCC2CC2)C[C@@H]1C ZINC000185263058 396324123 /nfs/dbraw/zinc/32/41/23/396324123.db2.gz PLGPVFFWIMYERN-UONOGXRCSA-N 1 0 313.442 0.900 10 0 DCAERO CCOC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000185913103 396337298 /nfs/dbraw/zinc/33/72/98/396337298.db2.gz WZAZJOZTNBIJRO-QWHCGFSZSA-N 1 0 310.398 0.707 10 0 DCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000186089376 396341389 /nfs/dbraw/zinc/34/13/89/396341389.db2.gz NAEWARSEYBNGCK-STQMWFEESA-N 1 0 302.415 0.423 10 0 DCAERO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC1(CO)CC1 ZINC000186782239 396357625 /nfs/dbraw/zinc/35/76/25/396357625.db2.gz GEYMEQOCHVBXJE-UHFFFAOYSA-N 1 0 314.407 0.417 10 0 DCAERO C[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)CC[N@@H+]1CC(C)(C)O ZINC000186938168 396360252 /nfs/dbraw/zinc/36/02/52/396360252.db2.gz OFKIUAKPEUFGJI-GFCCVEGCSA-N 1 0 322.409 0.694 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCCNC(=O)c1ccccc1 ZINC000187107733 396363914 /nfs/dbraw/zinc/36/39/14/396363914.db2.gz 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396429986 /nfs/dbraw/zinc/42/99/86/396429986.db2.gz SIMVKYWWHFMIGE-INIZCTEOSA-N 1 0 324.469 0.834 10 0 DCAERO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C(N)=O)CC1 ZINC000192741689 396436399 /nfs/dbraw/zinc/43/63/99/396436399.db2.gz BHEAJWTUSHLVBJ-GFCCVEGCSA-N 1 0 319.409 0.824 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCSCC2)C[N@@H+]1C1CC1 ZINC000580977392 396516420 /nfs/dbraw/zinc/51/64/20/396516420.db2.gz RRIRALVPJBUHEI-NEPJUHHUSA-N 1 0 311.451 0.693 10 0 DCAERO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292272042 396541091 /nfs/dbraw/zinc/54/10/91/396541091.db2.gz QETWBQLUQMIWQP-MRXNPFEDSA-N 1 0 306.410 0.970 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000582335942 396604167 /nfs/dbraw/zinc/60/41/67/396604167.db2.gz YYFHACHDIKHPHP-UHFFFAOYSA-N 1 0 309.414 0.892 10 0 DCAERO Cn1cc([C@H](O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000375089377 396710484 /nfs/dbraw/zinc/71/04/84/396710484.db2.gz IOUKSKXSMKENGS-HNNXBMFYSA-N 1 0 306.410 0.788 10 0 DCAERO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@]2(CCOC2)C1 ZINC000375109619 396711712 /nfs/dbraw/zinc/71/17/12/396711712.db2.gz FNWWBNKDQMABCF-XHDPSFHLSA-N 1 0 313.398 0.491 10 0 DCAERO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000375487611 396755905 /nfs/dbraw/zinc/75/59/05/396755905.db2.gz WLEYNRCYOCQJIX-LLVKDONJSA-N 1 0 303.366 0.487 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375968657 396851813 /nfs/dbraw/zinc/85/18/13/396851813.db2.gz KGCXRBKAJSHPQA-DOMZBBRYSA-N 1 0 302.378 0.935 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2COCCN2C)c1 ZINC000629599597 396804467 /nfs/dbraw/zinc/80/44/67/396804467.db2.gz JVVNOWBUMPMSJQ-HOTGVXAUSA-N 1 0 322.405 0.549 10 0 DCAERO COC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000376138729 396883555 /nfs/dbraw/zinc/88/35/55/396883555.db2.gz DWBFWCMNTJFOCM-SNPRPXQTSA-N 1 0 324.421 0.897 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332751694 396891986 /nfs/dbraw/zinc/89/19/86/396891986.db2.gz BJYFBGDVRWGVLB-SNPRPXQTSA-N 1 0 310.442 0.489 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@](C)(C[NH3+])C1 ZINC000630360481 396994118 /nfs/dbraw/zinc/99/41/18/396994118.db2.gz GEAOCMKQOOBGGS-KWQFWETISA-N 1 0 322.818 0.200 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630363327 396994971 /nfs/dbraw/zinc/99/49/71/396994971.db2.gz YTAVGVHTBRGJCN-JQWIXIFHSA-N 1 0 303.359 0.348 10 0 DCAERO C[NH2+]CCOCCN(C)c1cnn(C)c(=O)c1Br ZINC000630529590 397038316 /nfs/dbraw/zinc/03/83/16/397038316.db2.gz BDSBKRNELCHYHN-UHFFFAOYSA-N 1 0 319.203 0.215 10 0 DCAERO CCc1n[nH]cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000592758268 397243014 /nfs/dbraw/zinc/24/30/14/397243014.db2.gz VUDDGJFKRINGBG-CQSZACIVSA-N 1 0 319.409 0.526 10 0 DCAERO C[N@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)CO ZINC000382231806 397273726 /nfs/dbraw/zinc/27/37/26/397273726.db2.gz DFZAJBLDWYSVCA-LLVKDONJSA-N 1 0 306.362 0.346 10 0 DCAERO 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158149354 /nfs/dbraw/zinc/14/93/54/158149354.db2.gz RXIXQGLBOJUZAF-QLFBSQMISA-N 1 0 310.442 0.585 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCC[NH+](CC)CC)CC2 ZINC000114908664 158158971 /nfs/dbraw/zinc/15/89/71/158158971.db2.gz YAKIYBCEQDKZTP-LBPRGKRZSA-N 1 0 308.430 0.796 10 0 DCAERO CC(C)(C)CCNC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889640 158166779 /nfs/dbraw/zinc/16/67/79/158166779.db2.gz FLKRTGVUPOPFQW-LLVKDONJSA-N 1 0 305.444 0.162 10 0 DCAERO Cc1noc(Cl)c1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785425 158166789 /nfs/dbraw/zinc/16/67/89/158166789.db2.gz URBHICMPYGVZQL-JTQLQIEISA-N 1 0 301.774 0.968 10 0 DCAERO COCCN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000117473696 158171475 /nfs/dbraw/zinc/17/14/75/158171475.db2.gz YHWVFGJIKZRMEH-CQSZACIVSA-N 1 0 324.469 0.975 10 0 DCAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000117748043 158173167 /nfs/dbraw/zinc/17/31/67/158173167.db2.gz BAECQSMCFCPPEW-XJKSGUPXSA-N 1 0 303.406 0.915 10 0 DCAERO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1-n1cnnn1 ZINC000120060637 158193165 /nfs/dbraw/zinc/19/31/65/158193165.db2.gz ZZONKPOYCZUWMH-LBPRGKRZSA-N 1 0 316.365 0.495 10 0 DCAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1ccnn1C ZINC000120196842 158194331 /nfs/dbraw/zinc/19/43/31/158194331.db2.gz FLTZEKBLODMAHQ-UHFFFAOYSA-N 1 0 321.469 0.837 10 0 DCAERO C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(C)(C)C[NH+](C)C ZINC000120648471 158202713 /nfs/dbraw/zinc/20/27/13/158202713.db2.gz FTVGWXGYUMQLBA-NWDGAFQWSA-N 1 0 308.430 0.868 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000121835671 158215274 /nfs/dbraw/zinc/21/52/74/158215274.db2.gz NIXYCMBPSQPYCG-CQSZACIVSA-N 1 0 308.426 0.804 10 0 DCAERO C[C@H](CNC(=O)CNC(=O)c1ccsc1)N1CC[NH+](C)CC1 ZINC000125360131 158254503 /nfs/dbraw/zinc/25/45/03/158254503.db2.gz ZNXSXARZXDOFIG-GFCCVEGCSA-N 1 0 324.450 0.230 10 0 DCAERO C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCS1(=O)=O ZINC000126860061 158268326 /nfs/dbraw/zinc/26/83/26/158268326.db2.gz 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158283363 /nfs/dbraw/zinc/28/33/63/158283363.db2.gz XMCUWTWQIJZHGZ-GFCCVEGCSA-N 1 0 321.402 0.653 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)NCc2ncn(C)n2)C[C@@H]1CC ZINC000130400759 158295139 /nfs/dbraw/zinc/29/51/39/158295139.db2.gz MXGLZVDXYYVUFX-ZDUSSCGKSA-N 1 0 324.429 0.457 10 0 DCAERO COCCCOC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000130872853 158297012 /nfs/dbraw/zinc/29/70/12/158297012.db2.gz SDVOMYOTUCLKIQ-OAHLLOKOSA-N 1 0 316.442 0.197 10 0 DCAERO O=C(CC[N@@H+]1CC[C@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000131818406 158305803 /nfs/dbraw/zinc/30/58/03/158305803.db2.gz SULWSZMYPHKZDA-HNNXBMFYSA-N 1 0 305.378 0.784 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000131885068 158306792 /nfs/dbraw/zinc/30/67/92/158306792.db2.gz WHDAFEQXORPTMT-JTQLQIEISA-N 1 0 316.379 0.571 10 0 DCAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000134208302 158326413 /nfs/dbraw/zinc/32/64/13/158326413.db2.gz DGLYEUWIIUWSRS-LLVKDONJSA-N 1 0 312.414 0.444 10 0 DCAERO 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Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262080177 158770704 /nfs/dbraw/zinc/77/07/04/158770704.db2.gz CIDQDFADEDHKNN-JQWIXIFHSA-N 1 0 318.402 0.824 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1-c1cccc(C)c1 ZINC000262340419 158800741 /nfs/dbraw/zinc/80/07/41/158800741.db2.gz SYMPVNHXDPEJQS-CJNGLKHVSA-N 1 0 314.389 0.799 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262430921 158813008 /nfs/dbraw/zinc/81/30/08/158813008.db2.gz FWDCDHRRGOPKRK-NWDGAFQWSA-N 1 0 324.402 0.703 10 0 DCAERO COCCc1noc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000328597841 159013565 /nfs/dbraw/zinc/01/35/65/159013565.db2.gz APTGIKGMUMKNQN-CYBMUJFWSA-N 1 0 324.425 0.944 10 0 DCAERO CN1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@H]21 ZINC000328812872 159031836 /nfs/dbraw/zinc/03/18/36/159031836.db2.gz BOGZCUGRARYSBR-MGPQQGTHSA-N 1 0 318.439 0.290 10 0 DCAERO CC(C)N1C(=O)N[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC000328980295 159048582 /nfs/dbraw/zinc/04/85/82/159048582.db2.gz RILZYJPVKJNIKX-HZSPNIEDSA-N 1 0 306.410 0.831 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205898 159073181 /nfs/dbraw/zinc/07/31/81/159073181.db2.gz XGCIALWGHIECSY-KGLIPLIRSA-N 1 0 301.350 0.274 10 0 DCAERO O=C(c1ccnc(N2CCCC2)n1)N1CC[NH+]2CCC1CC2 ZINC000329341067 159084069 /nfs/dbraw/zinc/08/40/69/159084069.db2.gz ORZGMXHOKBDPQJ-UHFFFAOYSA-N 1 0 301.394 0.997 10 0 DCAERO CN(C(=O)CSc1nnnn1C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329350471 159084894 /nfs/dbraw/zinc/08/48/94/159084894.db2.gz FCRORDKLBWTOMU-LBPRGKRZSA-N 1 0 322.438 0.653 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)O1 ZINC000329378005 159087344 /nfs/dbraw/zinc/08/73/44/159087344.db2.gz MGUDYLDYYKSJPI-TUVASFSCSA-N 1 0 323.437 0.565 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)O1 ZINC000329473248 159096751 /nfs/dbraw/zinc/09/67/51/159096751.db2.gz ANBUXDRVDZDPAG-RQJABVFESA-N 1 0 309.410 0.175 10 0 DCAERO 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/nfs/dbraw/zinc/79/44/78/286794478.db2.gz HSGXAEFYJMUEAE-QWHCGFSZSA-N 1 0 309.410 0.905 10 0 DCAERO CC1CC[NH+](CCCNC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000407971367 160000138 /nfs/dbraw/zinc/00/01/38/160000138.db2.gz PBNOSSPBZNGGMS-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000407986133 160003488 /nfs/dbraw/zinc/00/34/88/160003488.db2.gz KRHHHFSOBLXYRB-GFCCVEGCSA-N 1 0 311.430 0.430 10 0 DCAERO CNC(=O)NC1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000407989457 160004449 /nfs/dbraw/zinc/00/44/49/160004449.db2.gz XSGUZGILVNATGK-VXGBXAGGSA-N 1 0 311.430 0.430 10 0 DCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000408028016 160015815 /nfs/dbraw/zinc/01/58/15/160015815.db2.gz CDQVHFLWUVHZKN-GJZGRUSLSA-N 1 0 322.453 0.140 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)N(C)C1 ZINC000408039718 160019895 /nfs/dbraw/zinc/01/98/95/160019895.db2.gz XQKPFSWSHWCEJN-RFGFWPKPSA-N 1 0 311.426 0.469 10 0 DCAERO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C)C[C@H]2C)c1 ZINC000408064762 160026631 /nfs/dbraw/zinc/02/66/31/160026631.db2.gz WIMNESMMVUKYLR-LLVKDONJSA-N 1 0 311.407 0.419 10 0 DCAERO C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCO1 ZINC000408144260 160046917 /nfs/dbraw/zinc/04/69/17/160046917.db2.gz HYRRQTPYBXVIPI-GJZGRUSLSA-N 1 0 323.437 0.568 10 0 DCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 ZINC000408144268 160047651 /nfs/dbraw/zinc/04/76/51/160047651.db2.gz IBVCSCJWKNRBAD-UWVGGRQHSA-N 1 0 313.379 0.093 10 0 DCAERO O=C(N[C@@H]1CCc2n[nH]cc2C1)C1(N2CCOCC2)CCC1 ZINC000408176360 160053314 /nfs/dbraw/zinc/05/33/14/160053314.db2.gz DYNUFALLPUHCAK-CYBMUJFWSA-N 1 0 304.394 0.638 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408180631 160054193 /nfs/dbraw/zinc/05/41/93/160054193.db2.gz UCEMNWOMYVKVPR-CMPLNLGQSA-N 1 0 310.316 0.480 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408184765 160055545 /nfs/dbraw/zinc/05/55/45/160055545.db2.gz ZQNQHQVYULBNNC-VXGBXAGGSA-N 1 0 303.428 0.011 10 0 DCAERO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(Cc2ncc[nH]2)CC1 ZINC000408472778 160115175 /nfs/dbraw/zinc/11/51/75/160115175.db2.gz WWUJUYCVUGUGJS-HNNXBMFYSA-N 1 0 317.437 0.581 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000078993313 286923228 /nfs/dbraw/zinc/92/32/28/286923228.db2.gz IPSUHTGADGRZMX-LBPRGKRZSA-N 1 0 317.455 0.211 10 0 DCAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C(N)=O)cn1C ZINC000133561817 287011540 /nfs/dbraw/zinc/01/15/40/287011540.db2.gz XBBMYBNUTVNKQD-LBPRGKRZSA-N 1 0 310.398 0.211 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000137103469 287027852 /nfs/dbraw/zinc/02/78/52/287027852.db2.gz UMPXEPQRBNOVBC-NSHDSACASA-N 1 0 307.460 0.407 10 0 DCAERO C[C@H]1CCC[C@@](CNC(=O)C[C@@H]2NC(=O)NC2=O)([NH+](C)C)C1 ZINC000137904627 287028914 /nfs/dbraw/zinc/02/89/14/287028914.db2.gz VCSJUAAHXTUFSP-ZIBATOQPSA-N 1 0 310.398 0.211 10 0 DCAERO CC[C@H]1CN(C(=O)[C@@H](C)CC(=O)OC)CC[N@@H+]1CCOC ZINC000150727379 287030494 /nfs/dbraw/zinc/03/04/94/287030494.db2.gz AFKGPCLCWUZHNB-STQMWFEESA-N 1 0 300.399 0.755 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150774011 287030730 /nfs/dbraw/zinc/03/07/30/287030730.db2.gz GCJRCFHXQSWIGX-AAEUAGOBSA-N 1 0 320.393 0.874 10 0 DCAERO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000150781726 287030879 /nfs/dbraw/zinc/03/08/79/287030879.db2.gz AMGGRRGIMXUOME-CMPLNLGQSA-N 1 0 307.398 0.512 10 0 DCAERO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152713912 287043730 /nfs/dbraw/zinc/04/37/30/287043730.db2.gz MQZXYCHZGVGNOW-DOMZBBRYSA-N 1 0 316.446 0.293 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193383343 287060487 /nfs/dbraw/zinc/06/04/87/287060487.db2.gz DIJYDOIDBHRHLI-UHFFFAOYSA-N 1 0 324.402 0.980 10 0 DCAERO COc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000230732978 287064239 /nfs/dbraw/zinc/06/42/39/287064239.db2.gz JDZDQKRTXDQLIH-UHFFFAOYSA-N 1 0 300.380 0.481 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1Cl ZINC000237257206 287066011 /nfs/dbraw/zinc/06/60/11/287066011.db2.gz STDOINRRTZVSKP-QMMMGPOBSA-N 1 0 318.782 0.767 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@H]1C ZINC000245437719 287069184 /nfs/dbraw/zinc/06/91/84/287069184.db2.gz WVVZSZXDBQVIJP-NEPJUHHUSA-N 1 0 308.382 0.304 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000245415538 287068765 /nfs/dbraw/zinc/06/87/65/287068765.db2.gz GIYXSZQOMQZKBJ-MGPQQGTHSA-N 1 0 319.471 0.757 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2nnnc2C(C)C)[C@@H](C)C1 ZINC000245410141 287068775 /nfs/dbraw/zinc/06/87/75/287068775.db2.gz POPWOOCNVHLRJF-STQMWFEESA-N 1 0 308.430 0.985 10 0 DCAERO CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246752283 287087437 /nfs/dbraw/zinc/08/74/37/287087437.db2.gz ZIWQEWVEQVMDRB-CHWSQXEVSA-N 1 0 317.455 0.116 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000247320484 287092702 /nfs/dbraw/zinc/09/27/02/287092702.db2.gz OPQONHCJTGCYJL-JSGCOSHPSA-N 1 0 308.426 0.923 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCSc2nnnn2C)C1 ZINC000247441473 287093851 /nfs/dbraw/zinc/09/38/51/287093851.db2.gz SAMPDHOJSYTPIV-WDEREUQCSA-N 1 0 312.443 0.537 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000247303062 287092631 /nfs/dbraw/zinc/09/26/31/287092631.db2.gz GFQVKYPKJWPPHZ-STQMWFEESA-N 1 0 317.455 0.547 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CCN1C[C@H](C)O ZINC000248980968 287104667 /nfs/dbraw/zinc/10/46/67/287104667.db2.gz VJYQIFUYMZXEKI-IGQOVBAYSA-N 1 0 320.455 0.271 10 0 DCAERO Cc1ccccc1OC[C@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249563727 287114349 /nfs/dbraw/zinc/11/43/49/287114349.db2.gz MKQFJLYDVGSYFX-JKSUJKDBSA-N 1 0 308.422 0.733 10 0 DCAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC[C@@H]1C ZINC000251850604 287119841 /nfs/dbraw/zinc/11/98/41/287119841.db2.gz NMBMIZKCSJIXFS-OUCADQQQSA-N 1 0 311.426 0.469 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)[C@@H](C)CO1 ZINC000252466365 287120570 /nfs/dbraw/zinc/12/05/70/287120570.db2.gz YHVASBQBAMBFMY-XQQFMLRXSA-N 1 0 305.444 0.366 10 0 DCAERO CC[C@@H]1CN(C(=O)NC[C@H](C)COC)CC[N@@H+]1C[C@@H](C)O ZINC000253028598 287121147 /nfs/dbraw/zinc/12/11/47/287121147.db2.gz HZGVCSNVNKPCHA-BFHYXJOUSA-N 1 0 301.431 0.756 10 0 DCAERO O=C(c1ccnc(N2CCCC2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000265849193 415134382 /nfs/dbraw/zinc/13/43/82/415134382.db2.gz WZESVXIFJLLFOS-CYBMUJFWSA-N 1 0 301.394 0.997 10 0 DCAERO C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342332025 415138728 /nfs/dbraw/zinc/13/87/28/415138728.db2.gz PQWPEOXIMRLJDF-IJLUTSLNSA-N 1 0 303.428 0.298 10 0 DCAERO C[C@H](CNC(=O)Cn1c2ccccc2[nH]c1=O)[N@H+](C)C1CC1 ZINC000075577454 415446653 /nfs/dbraw/zinc/44/66/53/415446653.db2.gz AAMDBJZCPLYRSB-LLVKDONJSA-N 1 0 302.378 0.929 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000078962591 415469416 /nfs/dbraw/zinc/46/94/16/415469416.db2.gz YHXKJCKDSFUPCU-TZMCWYRMSA-N 1 0 324.425 0.160 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)NCCC[NH+]1CCCC1 ZINC000078875548 415469704 /nfs/dbraw/zinc/46/97/04/415469704.db2.gz LVMANAJMDWEHLJ-UHFFFAOYSA-N 1 0 302.378 0.932 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000085903175 415506660 /nfs/dbraw/zinc/50/66/60/415506660.db2.gz BCMSKHSPFUPWRU-OAHLLOKOSA-N 1 0 316.348 0.958 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(CC(N)=O)CC2)C1 ZINC000085786826 415506784 /nfs/dbraw/zinc/50/67/84/415506784.db2.gz AGAHGTSJRDDAKP-ZDUSSCGKSA-N 1 0 317.455 0.245 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087384251 415512232 /nfs/dbraw/zinc/51/22/32/415512232.db2.gz FIMPIRIBGRCLBE-JTQLQIEISA-N 1 0 316.379 0.699 10 0 DCAERO CCCc1nnc(N2CCC3(CC2)C(=O)NCCC[N@H+]3C)o1 ZINC000095366413 415554579 /nfs/dbraw/zinc/55/45/79/415554579.db2.gz ARSYBBZOUKWIKX-UHFFFAOYSA-N 1 0 307.398 0.813 10 0 DCAERO CCCC(=O)NCC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000105321241 415632186 /nfs/dbraw/zinc/63/21/86/415632186.db2.gz XGLUCWCRAUOCHV-AWEZNQCLSA-N 1 0 312.458 0.293 10 0 DCAERO CC[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+]1CCOC ZINC000105835686 415637693 /nfs/dbraw/zinc/63/76/93/415637693.db2.gz CEKZVKYTCDXPIA-CYBMUJFWSA-N 1 0 312.414 0.017 10 0 DCAERO CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333746462 415727146 /nfs/dbraw/zinc/72/71/46/415727146.db2.gz YIOAFMDKXGYHDQ-OLZOCXBDSA-N 1 0 311.430 0.574 10 0 DCAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)NS(C)(=O)=O ZINC000111769911 415699367 /nfs/dbraw/zinc/69/93/67/415699367.db2.gz WPLHRQHMISNION-WOPDTQHZSA-N 1 0 317.455 0.351 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000333801928 415744239 /nfs/dbraw/zinc/74/42/39/415744239.db2.gz HXEHWLPRCBYZFL-AWEZNQCLSA-N 1 0 310.442 0.635 10 0 DCAERO CN([C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000333896142 415760571 /nfs/dbraw/zinc/76/05/71/415760571.db2.gz 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ZINC000334115360 415811019 /nfs/dbraw/zinc/81/10/19/415811019.db2.gz GSDBPKFCQZDJAD-KGLIPLIRSA-N 1 0 307.398 0.597 10 0 DCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000334112962 415811873 /nfs/dbraw/zinc/81/18/73/415811873.db2.gz DPDDJOKMOXNPOG-LSDHHAIUSA-N 1 0 321.425 0.696 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000125780116 415869380 /nfs/dbraw/zinc/86/93/80/415869380.db2.gz VRDOBWYHQDEWGF-UHFFFAOYSA-N 1 0 314.389 0.986 10 0 DCAERO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1n[nH]c2c1CCCC2 ZINC000127464851 415886900 /nfs/dbraw/zinc/88/69/00/415886900.db2.gz CRXBJDQUNYDNNT-GFCCVEGCSA-N 1 0 304.394 0.882 10 0 DCAERO CCCc1ncc(C(=O)NC[C@H](O)CN2CCOCC2)s1 ZINC000128166079 415895916 /nfs/dbraw/zinc/89/59/16/415895916.db2.gz LBRYUEIVUPTASA-NSHDSACASA-N 1 0 313.423 0.519 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC000129720212 415911751 /nfs/dbraw/zinc/91/17/51/415911751.db2.gz NWUUIFYXYAGKKN-LSDHHAIUSA-N 1 0 303.406 0.802 10 0 DCAERO CC[NH+]1CCN(CCC(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000125234902 415862892 /nfs/dbraw/zinc/86/28/92/415862892.db2.gz ZVCDCTPBKQGFII-UHFFFAOYSA-N 1 0 306.414 0.509 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cnc2ccccn2c1=O ZINC000155227094 415994419 /nfs/dbraw/zinc/99/44/19/415994419.db2.gz OCYARKTYQSGWCI-RYUDHWBXSA-N 1 0 300.362 0.859 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000155690119 415996612 /nfs/dbraw/zinc/99/66/12/415996612.db2.gz RMEZNBHYWISIBJ-LHSJRXKWSA-N 1 0 315.483 0.384 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000357295993 416058650 /nfs/dbraw/zinc/05/86/50/416058650.db2.gz DKDLRTLHHWDMEB-CYBMUJFWSA-N 1 0 310.442 0.140 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000174233546 416075834 /nfs/dbraw/zinc/07/58/34/416075834.db2.gz SOCWOQSNIISGST-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170844294 416034900 /nfs/dbraw/zinc/03/49/00/416034900.db2.gz 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/nfs/dbraw/zinc/13/10/86/416131086.db2.gz ZITDQWXADYZHOA-UHFFFAOYSA-N 1 0 321.425 0.905 10 0 DCAERO CN(CC(=O)N1CCN2C(=O)NC[C@H]2C1)Cc1ccccc1 ZINC000177506796 416147055 /nfs/dbraw/zinc/14/70/55/416147055.db2.gz UTMPKYQRBPXRTO-AWEZNQCLSA-N 1 0 302.378 0.354 10 0 DCAERO CCn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1=O ZINC000177689515 416149812 /nfs/dbraw/zinc/14/98/12/416149812.db2.gz MMRFEJJMIXLWFU-CYBMUJFWSA-N 1 0 318.377 0.113 10 0 DCAERO O=C([C@H]1COCCN1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000178828519 416173787 /nfs/dbraw/zinc/17/37/87/416173787.db2.gz ICJRSRSVNWHBRK-OAHLLOKOSA-N 1 0 311.426 0.078 10 0 DCAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178929652 416178083 /nfs/dbraw/zinc/17/80/83/416178083.db2.gz JIVNDHXUHLIWFG-LBPRGKRZSA-N 1 0 311.407 0.548 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@H]3CCCOC3)C2)CC1 ZINC000180443439 416194985 /nfs/dbraw/zinc/19/49/85/416194985.db2.gz ABMQESNXYCBZHN-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO COCCS(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000180929110 416202987 /nfs/dbraw/zinc/20/29/87/416202987.db2.gz NDYSRZDXBRVFEJ-CQSZACIVSA-N 1 0 319.471 0.065 10 0 DCAERO Cc1cc(C)cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000190026770 416273163 /nfs/dbraw/zinc/27/31/63/416273163.db2.gz GILNYWXXENXEHM-AWEZNQCLSA-N 1 0 319.405 0.767 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCN1CCO ZINC000190043403 416273643 /nfs/dbraw/zinc/27/36/43/416273643.db2.gz MHSMFHCFZNCDBA-LLVKDONJSA-N 1 0 309.341 0.289 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1C ZINC000190049314 416274289 /nfs/dbraw/zinc/27/42/89/416274289.db2.gz SFTAUWRJAFPIJG-AWEZNQCLSA-N 1 0 319.405 0.767 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000193561352 416317099 /nfs/dbraw/zinc/31/70/99/416317099.db2.gz UOUKZASGLAFIGG-TUAOUCFPSA-N 1 0 303.428 0.057 10 0 DCAERO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000191993949 416295463 /nfs/dbraw/zinc/29/54/63/416295463.db2.gz VTXLAJNNXCRQKY-UHFFFAOYSA-N 1 0 313.423 0.748 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)CC2)[C@H]1c1ccccc1 ZINC000247922909 416333192 /nfs/dbraw/zinc/33/31/92/416333192.db2.gz CCLRCBZSTAZKRO-GOEBONIOSA-N 1 0 316.405 0.963 10 0 DCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000248390246 416333391 /nfs/dbraw/zinc/33/33/91/416333391.db2.gz HSPDKWZJAMCSTQ-WDEREUQCSA-N 1 0 309.332 0.148 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1 ZINC000262745063 416337099 /nfs/dbraw/zinc/33/70/99/416337099.db2.gz DJTBKYOYYFLOPC-QWRGUYRKSA-N 1 0 311.407 0.417 10 0 DCAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194775502 416324425 /nfs/dbraw/zinc/32/44/25/416324425.db2.gz XONJKADARYDTTE-ZDUSSCGKSA-N 1 0 316.405 0.903 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000245473001 416331403 /nfs/dbraw/zinc/33/14/03/416331403.db2.gz ZUOOCALYWRSWKR-QWRGUYRKSA-N 1 0 308.382 0.012 10 0 DCAERO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246489701 416331887 /nfs/dbraw/zinc/33/18/87/416331887.db2.gz PIDPAAVTSFEZKT-FVQBIDKESA-N 1 0 303.406 0.866 10 0 DCAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246497162 416331955 /nfs/dbraw/zinc/33/19/55/416331955.db2.gz AYZJXUYFLZSRNW-NDBYEHHHSA-N 1 0 305.444 0.400 10 0 DCAERO CN(Cc1ccnn1C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000359895006 416364613 /nfs/dbraw/zinc/36/46/13/416364613.db2.gz DOXGPGXSPZLXSJ-ZDUSSCGKSA-N 1 0 302.382 0.808 10 0 DCAERO Cc1cc(C)n(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000360872966 416415060 /nfs/dbraw/zinc/41/50/60/416415060.db2.gz NOIFSIPFNNVUPX-OAHLLOKOSA-N 1 0 306.410 0.869 10 0 DCAERO CN1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1=O ZINC000583622216 416480468 /nfs/dbraw/zinc/48/04/68/416480468.db2.gz ZXRBZHZLUSQZDT-SOUVJXGZSA-N 1 0 321.400 0.552 10 0 DCAERO C[C@H](Cc1cnn(C)c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000459064190 416521655 /nfs/dbraw/zinc/52/16/55/416521655.db2.gz KOGJDGCIJWUMKS-GFCCVEGCSA-N 1 0 302.382 0.579 10 0 DCAERO C[N@H+](CCCCNC(=O)N1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000459172387 416526119 /nfs/dbraw/zinc/52/61/19/416526119.db2.gz YPGYZQGNLOGJPO-HNNXBMFYSA-N 1 0 310.442 0.587 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020966 416534679 /nfs/dbraw/zinc/53/46/79/416534679.db2.gz VAXLQZRBVWFGDO-IUODEOHRSA-N 1 0 303.410 0.697 10 0 DCAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151288295 196660144 /nfs/dbraw/zinc/66/01/44/196660144.db2.gz OOSMUQWXBFISKP-DZGCQCFKSA-N 1 0 313.442 0.948 10 0 DCAERO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000534865733 416509290 /nfs/dbraw/zinc/50/92/90/416509290.db2.gz WNPROHOBQIRMHG-XHSDSOJGSA-N 1 0 317.426 0.670 10 0 DCAERO C[C@@H](CNC(=O)NCc1ccn(C)n1)C[NH+]1CCN(C)CC1 ZINC000535022775 416513919 /nfs/dbraw/zinc/51/39/19/416513919.db2.gz VZRBQZYBDPAPPB-ZDUSSCGKSA-N 1 0 308.430 0.103 10 0 DCAERO 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300.399 0.001 10 0 DCAERO CN(C)c1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)nc1 ZINC000443918875 416793475 /nfs/dbraw/zinc/79/34/75/416793475.db2.gz WKHVGBZKCOJMOH-UHFFFAOYSA-N 1 0 305.426 0.467 10 0 DCAERO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000444777017 416868456 /nfs/dbraw/zinc/86/84/56/416868456.db2.gz NPTQLVBYYDHMCM-UHFFFAOYSA-N 1 0 322.361 0.827 10 0 DCAERO CCC[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[NH+](C)C ZINC000161560812 545868141 /nfs/dbraw/zinc/86/81/41/545868141.db2.gz JAFUKBCKFPZWSO-NEPJUHHUSA-N 1 0 305.444 0.257 10 0 DCAERO CC(C)[C@@H](C(=O)N1CC(n2ccnn2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000378532262 417082708 /nfs/dbraw/zinc/08/27/08/417082708.db2.gz KTJKKTXAQTUMSU-GUTXKFCHSA-N 1 0 321.425 0.795 10 0 DCAERO C[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)n1cnc(C#N)n1 ZINC000568160250 417086248 /nfs/dbraw/zinc/08/62/48/417086248.db2.gz JYFRLCCCMBYBAD-GFCCVEGCSA-N 1 0 302.382 0.798 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cc(N)n[nH]2)C1 ZINC000616653791 417090578 /nfs/dbraw/zinc/09/05/78/417090578.db2.gz KDIYDSXNZJOYPD-LLVKDONJSA-N 1 0 310.402 0.463 10 0 DCAERO Cc1nn(C)cc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000448915758 417108617 /nfs/dbraw/zinc/10/86/17/417108617.db2.gz XMNNZHSPNSAHMY-HNNXBMFYSA-N 1 0 308.426 0.840 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407969529 417131005 /nfs/dbraw/zinc/13/10/05/417131005.db2.gz ITSXWUJBAXGIDC-ZDUSSCGKSA-N 1 0 308.426 0.877 10 0 DCAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408314256 417154393 /nfs/dbraw/zinc/15/43/93/417154393.db2.gz RZBBILACJLYGML-STQMWFEESA-N 1 0 302.440 0.802 10 0 DCAERO Cc1cnc([C@@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cn1 ZINC000408377604 417159530 /nfs/dbraw/zinc/15/95/30/417159530.db2.gz XXJVLPOYMBECBB-LLVKDONJSA-N 1 0 303.366 0.862 10 0 DCAERO Cn1ncc(Br)c1C(=O)NCCNc1cc[nH+]cc1 ZINC000449812335 417177799 /nfs/dbraw/zinc/17/77/99/417177799.db2.gz CEQXFOAKJIYHIC-UHFFFAOYSA-N 1 0 324.182 0.841 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@@H]3CC[NH2+][C@H]3C)[C@H]2C1 ZINC000627039330 417216786 /nfs/dbraw/zinc/21/67/86/417216786.db2.gz GUMHUYGLUFDBMN-HWKXDMQWSA-N 1 0 308.426 0.683 10 0 DCAERO CNc1nc(N2CCC[N@H+](CCO)CC2)nc2ccccc21 ZINC000450316115 417216736 /nfs/dbraw/zinc/21/67/36/417216736.db2.gz QOQVGRUEDMLMAP-UHFFFAOYSA-N 1 0 301.394 1.176 10 0 DCAERO CC[NH+]1C[C@H](C)N(CC(=O)N2CCC[C@H](NC(C)=O)C2)[C@@H](C)C1 ZINC000408465978 417163744 /nfs/dbraw/zinc/16/37/44/417163744.db2.gz KPFFLQZSRFWMRI-DZKIICNBSA-N 1 0 324.469 0.528 10 0 DCAERO C=C/C(C)=C\CC(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000633107228 417364071 /nfs/dbraw/zinc/36/40/71/417364071.db2.gz YBTAEGWHHFVZBT-HWIKDYBBSA-N 1 0 323.437 0.804 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CC12COC2 ZINC000451127313 417303047 /nfs/dbraw/zinc/30/30/47/417303047.db2.gz AEIHCFAWQTVEDB-CQSZACIVSA-N 1 0 324.421 0.947 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC12COC2 ZINC000451136384 417305923 /nfs/dbraw/zinc/30/59/23/417305923.db2.gz NPDFRTYJUNRNPL-NXEZZACHSA-N 1 0 311.300 0.811 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CC12COC2 ZINC000451138600 417307311 /nfs/dbraw/zinc/30/73/11/417307311.db2.gz QSFLNCMECYIPPY-OLZOCXBDSA-N 1 0 308.378 0.261 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000633153134 417381699 /nfs/dbraw/zinc/38/16/99/417381699.db2.gz HWTIEODBUQXAOZ-XJKSGUPXSA-N 1 0 323.437 0.709 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000439200688 287383520 /nfs/dbraw/zinc/38/35/20/287383520.db2.gz BACQRCJCTVTTJJ-UHFFFAOYSA-N 1 0 307.398 0.530 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)c1cn(Cc2ccccn2)nn1 ZINC000439040985 287381080 /nfs/dbraw/zinc/38/10/80/287381080.db2.gz PCGKRGQCLGHXQF-UHFFFAOYSA-N 1 0 323.360 0.380 10 0 DCAERO C[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1[NH3+] ZINC000623065111 417536802 /nfs/dbraw/zinc/53/68/02/417536802.db2.gz QVMWNAOQTQNYNK-APPZFPTMSA-N 1 0 324.182 0.911 10 0 DCAERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)[C@@H]1C ZINC000530340290 417568787 /nfs/dbraw/zinc/56/87/87/417568787.db2.gz NFYLKQSVIPUCAR-XJFOESAGSA-N 1 0 301.383 0.426 10 0 DCAERO C[C@@]1(C(=O)NCCC2(CS(C)(=O)=O)CC2)CCCC[NH2+]1 ZINC000662615992 417821457 /nfs/dbraw/zinc/82/14/57/417821457.db2.gz DLJXNSHBRZJGJH-ZDUSSCGKSA-N 1 0 302.440 0.850 10 0 DCAERO C[C@H](OCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750787 417888107 /nfs/dbraw/zinc/88/81/07/417888107.db2.gz GXMLAPLWPCGTCQ-NSHDSACASA-N 1 0 316.361 0.862 10 0 DCAERO [NH3+]C[C@H](NC(=O)c1sccc1-n1cnnn1)C(F)(F)F ZINC000655510282 418270670 /nfs/dbraw/zinc/27/06/70/418270670.db2.gz OBPKRPGAQKJZEU-LURJTMIESA-N 1 0 306.273 0.343 10 0 DCAERO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)n1 ZINC000299740982 229376584 /nfs/dbraw/zinc/37/65/84/229376584.db2.gz COYVQCCZJXLNHR-AWEZNQCLSA-N 1 0 315.377 0.706 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000235348535 287596943 /nfs/dbraw/zinc/59/69/43/287596943.db2.gz VONDGXDYYBYMKF-FVCCEPFGSA-N 1 0 305.444 0.400 10 0 DCAERO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000357048438 261499466 /nfs/dbraw/zinc/49/94/66/261499466.db2.gz WXDSZPRMPTXALV-UUQIVFDPSA-N 1 0 323.437 0.754 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000361816831 261964191 /nfs/dbraw/zinc/96/41/91/261964191.db2.gz ZSHMGAJRMFCARA-ZDUSSCGKSA-N 1 0 321.425 0.938 10 0 DCAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367489918 271209662 /nfs/dbraw/zinc/20/96/62/271209662.db2.gz QCWJGPYFGXIZKS-NFFDBFGFSA-N 1 0 311.426 0.382 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C[NH+]1CCCCC1 ZINC000457952999 271938376 /nfs/dbraw/zinc/93/83/76/271938376.db2.gz WXJVQTBWEXSNRS-UONOGXRCSA-N 1 0 324.429 0.060 10 0 DCAERO COC(=O)C(C)(C)N1CCN(C(=O)NCCn2ccnc2)CC1 ZINC000490824414 272081917 /nfs/dbraw/zinc/08/19/17/272081917.db2.gz MXKVICNYKRRVDN-UHFFFAOYSA-N 1 0 323.397 0.162 10 0 DCAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000494432163 272222453 /nfs/dbraw/zinc/22/24/53/272222453.db2.gz SGFZMWUMJTVDIP-AWEZNQCLSA-N 1 0 316.442 0.589 10 0 DCAERO CC(=O)c1cccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528058181 272632430 /nfs/dbraw/zinc/63/24/30/272632430.db2.gz VZHRTIHVHGSDFG-UHFFFAOYSA-N 1 0 312.391 0.675 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)[N@H+](C)C1 ZINC000332085865 274081679 /nfs/dbraw/zinc/08/16/79/274081679.db2.gz FXGMQGQDEBSIMN-KBPBESRZSA-N 1 0 308.382 0.038 10 0 DCAERO CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CC[NH2+]CC1 ZINC000261818712 275807659 /nfs/dbraw/zinc/80/76/59/275807659.db2.gz NJIMSCBAERCLSP-UHFFFAOYSA-N 1 0 302.378 0.656 10 0 DCAERO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(=O)N1 ZINC000538681172 287881150 /nfs/dbraw/zinc/88/11/50/287881150.db2.gz WOIDVPLFPQCTFZ-AWEZNQCLSA-N 1 0 302.378 0.357 10 0 DCAERO CCC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCN1CCOC ZINC000188989769 276275977 /nfs/dbraw/zinc/27/59/77/276275977.db2.gz UULRERWXJYGSAH-BFHYXJOUSA-N 1 0 301.406 0.646 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)C1 ZINC000185312718 277055650 /nfs/dbraw/zinc/05/56/50/277055650.db2.gz NYGQPNSZTPDAMG-LSDHHAIUSA-N 1 0 313.442 0.452 10 0 DCAERO COC(=O)[C@H]1CCCN(CC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000114718256 277125745 /nfs/dbraw/zinc/12/57/45/277125745.db2.gz KXGVNRRTXLKUFP-KBPBESRZSA-N 1 0 312.410 0.756 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000546568073 288019427 /nfs/dbraw/zinc/01/94/27/288019427.db2.gz YCAVSSQLIUYWEW-UHFFFAOYSA-N 1 0 307.354 0.225 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000547733110 288073424 /nfs/dbraw/zinc/07/34/24/288073424.db2.gz DCGSBMFLBHSJQQ-XJKSGUPXSA-N 1 0 307.394 0.057 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)NCCCCCS(C)(=O)=O ZINC000547862519 288085829 /nfs/dbraw/zinc/08/58/29/288085829.db2.gz ORLMSUFSAGDRMU-UHFFFAOYSA-N 1 0 307.460 0.794 10 0 DCAERO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000330249578 279010269 /nfs/dbraw/zinc/01/02/69/279010269.db2.gz MRSVYRNGIDFHBY-QNWHQSFQSA-N 1 0 318.439 0.178 10 0 DCAERO CC[N@H+](CC(=O)N1CCN(C)[C@H](c2nccn2C)C1)C1CC1 ZINC000276512207 279051139 /nfs/dbraw/zinc/05/11/39/279051139.db2.gz CLVONTWNWDCYLS-AWEZNQCLSA-N 1 0 305.426 0.720 10 0 DCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333783330 279116926 /nfs/dbraw/zinc/11/69/26/279116926.db2.gz DZPOSKIIBARAGA-GBJTYRQASA-N 1 0 310.442 0.489 10 0 DCAERO C[C@H]1CC[N@H+](CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000548064045 288108403 /nfs/dbraw/zinc/10/84/03/288108403.db2.gz LOABCFSBWULUMN-BBRMVZONSA-N 1 0 307.394 0.057 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245412530 279298348 /nfs/dbraw/zinc/29/83/48/279298348.db2.gz AARUQTCDOWLKIP-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000126932349 279331689 /nfs/dbraw/zinc/33/16/89/279331689.db2.gz ZXLCZCGFWDQJPM-GHMZBOCLSA-N 1 0 303.428 0.298 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C(N)=O ZINC000408046015 288140517 /nfs/dbraw/zinc/14/05/17/288140517.db2.gz AMMIOXWKBJOQDN-UMSGYPCISA-N 1 0 324.425 0.444 10 0 DCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248403951 279575596 /nfs/dbraw/zinc/57/55/96/279575596.db2.gz ZLEWTFBPGHCQIP-CBBWQLFWSA-N 1 0 323.437 0.790 10 0 DCAERO O=C(N[C@H]1CCCn2ncnc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000176604068 279965538 /nfs/dbraw/zinc/96/55/38/279965538.db2.gz FBATVLDSUKQSQK-STQMWFEESA-N 1 0 304.398 0.993 10 0 DCAERO CC(C)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262388553 279978068 /nfs/dbraw/zinc/97/80/68/279978068.db2.gz NYEQBHVVPGONLO-GFCCVEGCSA-N 1 0 302.440 0.658 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)cc1 ZINC000549846067 288207582 /nfs/dbraw/zinc/20/75/82/288207582.db2.gz FCFYDGNGTGHRDR-UHFFFAOYSA-N 1 0 309.385 0.895 10 0 DCAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000261830447 280998047 /nfs/dbraw/zinc/99/80/47/280998047.db2.gz HXLXKYOGHJTAKO-KGLIPLIRSA-N 1 0 323.437 0.614 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCNC(C)=O)CC[N@@H+]1CCOC ZINC000117479310 281135961 /nfs/dbraw/zinc/13/59/61/281135961.db2.gz MADOMKPILXJWLN-AWEZNQCLSA-N 1 0 314.430 0.265 10 0 DCAERO CC1(C)CN(C(=O)CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000261958045 281161819 /nfs/dbraw/zinc/16/18/19/281161819.db2.gz ZYKYVQZWOPPEEB-LLVKDONJSA-N 1 0 302.440 0.787 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000245434664 281199669 /nfs/dbraw/zinc/19/96/69/281199669.db2.gz PWALUURXEFYQCE-STQMWFEESA-N 1 0 306.410 0.143 10 0 DCAERO C[NH+](C)CCNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000130718878 289163468 /nfs/dbraw/zinc/16/34/68/289163468.db2.gz BALBHAJCMPARRJ-CQSZACIVSA-N 1 0 304.394 0.754 10 0 DCAERO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])N1C(=O)NC2(CCCC2)C1=O ZINC000185417120 289361606 /nfs/dbraw/zinc/36/16/06/289361606.db2.gz SVUMNLCBSLDWQP-GRYCIOLGSA-N 1 0 322.409 0.626 10 0 DCAERO 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CC(C)(C[NH2+]C[C@@H](O)COCc1ccco1)S(C)(=O)=O ZINC000093519621 545726065 /nfs/dbraw/zinc/72/60/65/545726065.db2.gz UTMOFRBCVKMIJF-LLVKDONJSA-N 1 0 305.396 0.570 10 0 DCAERO C[C@H]1C[C@H](NC(=O)NCCCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000176484548 545888423 /nfs/dbraw/zinc/88/84/23/545888423.db2.gz ZUMOVZQNKZNMPS-STQMWFEESA-N 1 0 308.426 0.923 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)CCC(C)=O)ncn1 ZINC000192938678 545929869 /nfs/dbraw/zinc/92/98/69/545929869.db2.gz KDEVZGVCJOONBM-GFCCVEGCSA-N 1 0 305.382 0.973 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNC(=O)C2CC2)[C@@H](C)C1 ZINC000246392892 545964804 /nfs/dbraw/zinc/96/48/04/545964804.db2.gz JIHAPJQFQCZVJO-JSGCOSHPSA-N 1 0 310.442 0.884 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000247003998 545966790 /nfs/dbraw/zinc/96/67/90/545966790.db2.gz GXOZERSYIYBAKQ-UPJWGTAASA-N 1 0 317.455 0.255 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)c(Br)c1 ZINC000262065594 545978246 /nfs/dbraw/zinc/97/82/46/545978246.db2.gz 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/nfs/dbraw/zinc/09/49/85/546094985.db2.gz SQPCSPDENJVRBN-MJBXVCDLSA-N 1 0 320.441 0.559 10 0 DCAERO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH+]1CC(N2CCNC2=O)C1 ZINC000668151771 546701842 /nfs/dbraw/zinc/70/18/42/546701842.db2.gz PGDUZCWNHWOWRY-SWLSCSKDSA-N 1 0 319.409 0.597 10 0 DCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000669421321 546969536 /nfs/dbraw/zinc/96/95/36/546969536.db2.gz IJEICTWHGHSAJK-BPLDGKMQSA-N 1 0 316.405 0.919 10 0 DCAERO CCOC(=O)c1nc(N)nc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000725269652 548750294 /nfs/dbraw/zinc/75/02/94/548750294.db2.gz BXSQDZCHSSEZES-UHFFFAOYSA-N 1 0 308.386 0.409 10 0 DCAERO Cc1ccc(N2CCCC2)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262308819 657522308 /nfs/dbraw/zinc/52/23/08/657522308.db2.gz QGDZMEBUZBUAHZ-CJNGLKHVSA-N 1 0 303.406 0.905 10 0 DCAERO [NH3+]CC1(C(=O)NCC(=O)NCc2ccccc2)CCOCC1 ZINC000309572717 658070139 /nfs/dbraw/zinc/07/01/39/658070139.db2.gz BKHUDQKTWWUINA-UHFFFAOYSA-N 1 0 305.378 0.175 10 0 DCAERO 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C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000164742540 396087962 /nfs/dbraw/zinc/08/79/62/396087962.db2.gz BRQNPZDAMICCHS-MNOVXSKESA-N 1 0 312.391 0.877 10 0 DCAERO COCC(=O)NC[C@H]1CCN(Cc2ccccn2)C[C@H]1[NH+](C)C ZINC000169788891 396093352 /nfs/dbraw/zinc/09/33/52/396093352.db2.gz GWQRKQAZHOHIDV-GDBMZVCRSA-N 1 0 320.437 0.596 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000170874812 396099700 /nfs/dbraw/zinc/09/97/00/396099700.db2.gz LJMOEMADOZDZNB-NSHDSACASA-N 1 0 312.395 0.502 10 0 DCAERO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864696 396099721 /nfs/dbraw/zinc/09/97/21/396099721.db2.gz ORFXJVRTLVJCSE-KOLCDFICSA-N 1 0 310.427 0.651 10 0 DCAERO COC(=O)c1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460970 396101806 /nfs/dbraw/zinc/10/18/06/396101806.db2.gz KUCKITCMCNFFFR-UHFFFAOYSA-N 1 0 301.350 0.459 10 0 DCAERO CC[NH+]1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000070460465 396102213 /nfs/dbraw/zinc/10/22/13/396102213.db2.gz YHTXXRBJBBHMBE-UHFFFAOYSA-N 1 0 302.378 0.327 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575314 396102495 /nfs/dbraw/zinc/10/24/95/396102495.db2.gz IJSBEAFQNZTTPF-RYUDHWBXSA-N 1 0 311.407 0.931 10 0 DCAERO O=C([C@@H]1CNC(=O)C1)N1CCCN(Cc2cscn2)CC1 ZINC000171020384 396103982 /nfs/dbraw/zinc/10/39/82/396103982.db2.gz OKWSNPGCHMOJAQ-NSHDSACASA-N 1 0 308.407 0.314 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000262148459 396104342 /nfs/dbraw/zinc/10/43/42/396104342.db2.gz HPGRLQVFIKNGSC-MBGYTDRXSA-N 1 0 300.402 0.977 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000070969210 396107618 /nfs/dbraw/zinc/10/76/18/396107618.db2.gz BGNKQFLBZDWWNQ-LBPRGKRZSA-N 1 0 321.425 0.933 10 0 DCAERO COCC[N@H+](C)CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000171139024 396108740 /nfs/dbraw/zinc/10/87/40/396108740.db2.gz IVEBOUUVVVXXTM-ZDUSSCGKSA-N 1 0 322.409 0.891 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000171213359 396110937 /nfs/dbraw/zinc/11/09/37/396110937.db2.gz QDRNBIIRBURSGF-UHFFFAOYSA-N 1 0 302.419 0.121 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000262272150 396116605 /nfs/dbraw/zinc/11/66/05/396116605.db2.gz NCYKXBFLZHQKNC-GMXVVIOVSA-N 1 0 310.781 0.588 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H](CO)c1ccccc1)N1CCOCC1 ZINC000175772453 396142641 /nfs/dbraw/zinc/14/26/41/396142641.db2.gz ABFXOQAUWDASAM-GOEBONIOSA-N 1 0 321.421 0.782 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000171744074 396124667 /nfs/dbraw/zinc/12/46/67/396124667.db2.gz ZRIWTNPLWSPKED-HOTGVXAUSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172039103 396128384 /nfs/dbraw/zinc/12/83/84/396128384.db2.gz KYJMFWOXAMNYHV-RAGMHUQYSA-N 1 0 323.437 0.205 10 0 DCAERO Cn1nnnc1-c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262358033 396129517 /nfs/dbraw/zinc/12/95/17/396129517.db2.gz WADVUYUMQMXGME-UHFFFAOYSA-N 1 0 302.338 0.324 10 0 DCAERO COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262391720 396134006 /nfs/dbraw/zinc/13/40/06/396134006.db2.gz PRDPBAHRLKUDCI-IHRRRGAJSA-N 1 0 313.442 0.668 10 0 DCAERO C[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000262394215 396135263 /nfs/dbraw/zinc/13/52/63/396135263.db2.gz YDIUVCQWFBZPSF-YPMHNXCESA-N 1 0 324.450 0.779 10 0 DCAERO COc1ccc(OC)c(CN(C(=O)CNC(=O)C[NH3+])C2CC2)c1 ZINC000262468931 396143616 /nfs/dbraw/zinc/14/36/16/396143616.db2.gz YSBKCSDARYZQCX-UHFFFAOYSA-N 1 0 321.377 0.270 10 0 DCAERO Cc1sc(=O)n(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000261874882 396074785 /nfs/dbraw/zinc/07/47/85/396074785.db2.gz SSNKPQAVFMGLIG-BETUJISGSA-N 1 0 309.435 0.985 10 0 DCAERO CC(C)Cn1ccnc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261885484 396075739 /nfs/dbraw/zinc/07/57/39/396075739.db2.gz UOSBGOCXRLYSFP-LBPRGKRZSA-N 1 0 307.398 0.736 10 0 DCAERO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCOCC1 ZINC000261919478 396079205 /nfs/dbraw/zinc/07/92/05/396079205.db2.gz KBKXSRIZXMWLFF-BZUAXINKSA-N 1 0 311.470 0.844 10 0 DCAERO [NH3+]C1(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCOCC1 ZINC000261917900 396079638 /nfs/dbraw/zinc/07/96/38/396079638.db2.gz URPKBWJKNUMPMS-LBPRGKRZSA-N 1 0 309.410 0.544 10 0 DCAERO [NH3+][C@H](C(=O)NCC(=O)Nc1cccc(F)c1)C1CCOCC1 ZINC000261926096 396080485 /nfs/dbraw/zinc/08/04/85/396080485.db2.gz ZEBBKUQEXZZFAF-AWEZNQCLSA-N 1 0 309.341 0.634 10 0 DCAERO CN(C(=O)CNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000261937412 396082000 /nfs/dbraw/zinc/08/20/00/396082000.db2.gz MLDVJUQMRRCIHB-UHFFFAOYSA-N 1 0 311.426 0.649 10 0 DCAERO COC(=O)[C@H](C)Oc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263208270 396205814 /nfs/dbraw/zinc/20/58/14/396205814.db2.gz JYOLZDFTPXHJHG-WHOFXGATSA-N 1 0 308.378 0.297 10 0 DCAERO CCc1cnc(CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)s1 ZINC000263227219 396206511 /nfs/dbraw/zinc/20/65/11/396206511.db2.gz GVTNVEAENOOUBW-ZDUSSCGKSA-N 1 0 312.439 0.464 10 0 DCAERO Cc1nn(C)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1Br ZINC000263306171 396212830 /nfs/dbraw/zinc/21/28/30/396212830.db2.gz XYJLOQZJLGIOSZ-SCZZXKLOSA-N 1 0 303.204 0.161 10 0 DCAERO Cc1cc(C)cc(-n2ncc(CNC[C@H]3C[NH2+]C[C@H]3O)n2)c1 ZINC000263221701 396206772 /nfs/dbraw/zinc/20/67/72/396206772.db2.gz LZHNDVROOQSTEJ-XJKSGUPXSA-N 1 0 301.394 0.554 10 0 DCAERO C[NH2+]CCC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000262568465 396155887 /nfs/dbraw/zinc/15/58/87/396155887.db2.gz SBRRRMVTFGYRHN-UHFFFAOYSA-N 1 0 311.407 0.552 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CNC(=O)Cc2ccccc2)n1 ZINC000263265614 396210262 /nfs/dbraw/zinc/21/02/62/396210262.db2.gz RMPBDQCJDSLFFS-CYBMUJFWSA-N 1 0 315.377 0.505 10 0 DCAERO CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262596282 396159777 /nfs/dbraw/zinc/15/97/77/396159777.db2.gz XBJAKBXEWZYSLN-HIFRSBDPSA-N 1 0 317.389 0.629 10 0 DCAERO CCCNC(=O)CN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262634582 396165455 /nfs/dbraw/zinc/16/54/55/396165455.db2.gz HRXJHQKIEOJCAP-STQMWFEESA-N 1 0 310.442 0.221 10 0 DCAERO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)CCN1C ZINC000177061132 396165593 /nfs/dbraw/zinc/16/55/93/396165593.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 1 0 300.443 0.957 10 0 DCAERO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000262649335 396167556 /nfs/dbraw/zinc/16/75/56/396167556.db2.gz WUUQJIBMXACAFY-ZJUUUORDSA-N 1 0 303.370 0.033 10 0 DCAERO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262669801 396170915 /nfs/dbraw/zinc/17/09/15/396170915.db2.gz MSQADMZXUVHZQY-RDBSUJKOSA-N 1 0 322.453 0.315 10 0 DCAERO CCn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1=O ZINC000177689527 396181449 /nfs/dbraw/zinc/18/14/49/396181449.db2.gz MMRFEJJMIXLWFU-ZDUSSCGKSA-N 1 0 318.377 0.113 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)o1 ZINC000262814196 396184698 /nfs/dbraw/zinc/18/46/98/396184698.db2.gz YZDLBUFZUQPNBI-PSASIEDQSA-N 1 0 316.379 0.651 10 0 DCAERO CCc1cnc(N2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)s1 ZINC000262829897 396185152 /nfs/dbraw/zinc/18/51/52/396185152.db2.gz ZNDAHRRHAGGKNB-LLVKDONJSA-N 1 0 312.439 0.718 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(NC(N)=O)cc2)n1 ZINC000263310207 396212987 /nfs/dbraw/zinc/21/29/87/396212987.db2.gz YKOANYHVRBDRFX-NSHDSACASA-N 1 0 302.338 0.803 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262831343 396186335 /nfs/dbraw/zinc/18/63/35/396186335.db2.gz QJGAHAIGBXZYAI-CMPLNLGQSA-N 1 0 316.361 0.216 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000262958675 396194990 /nfs/dbraw/zinc/19/49/90/396194990.db2.gz WHYJXYRVKZWEIL-YPMHNXCESA-N 1 0 303.366 0.808 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263025961 396198372 /nfs/dbraw/zinc/19/83/72/396198372.db2.gz RKHZBIIHDLJOHZ-NEPJUHHUSA-N 1 0 305.369 0.457 10 0 DCAERO C[C@@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)cn2)C[C@H](C)O1 ZINC000263305092 396212707 /nfs/dbraw/zinc/21/27/07/396212707.db2.gz OEGMJTMWPIWUKW-TXEJJXNPSA-N 1 0 304.394 0.531 10 0 DCAERO CC[N@H+](CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000180758666 396234887 /nfs/dbraw/zinc/23/48/87/396234887.db2.gz PSMAOELXKLNUSY-ZIAGYGMSSA-N 1 0 312.458 0.567 10 0 DCAERO CCC[N@@H+]1CCCN(c2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000078251439 396240432 /nfs/dbraw/zinc/24/04/32/396240432.db2.gz LYHYLWBXMZMPPI-UHFFFAOYSA-N 1 0 312.439 0.912 10 0 DCAERO CCC[N@@H+]1CCCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000078251354 396240531 /nfs/dbraw/zinc/24/05/31/396240531.db2.gz JVQIDJBDVQHGAZ-UHFFFAOYSA-N 1 0 304.441 0.713 10 0 DCAERO COC(=O)CC[N@@H+]1CCN(Cc2nnc(C)n2C2CC2)[C@@H](C)C1 ZINC000182093138 396246210 /nfs/dbraw/zinc/24/62/10/396246210.db2.gz OEHBQGSUHJYSKY-LBPRGKRZSA-N 1 0 321.425 0.991 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2cnn(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000182054414 396246249 /nfs/dbraw/zinc/24/62/49/396246249.db2.gz CWLXVGUMASRCHE-DOMZBBRYSA-N 1 0 323.441 0.715 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000078522919 396246663 /nfs/dbraw/zinc/24/66/63/396246663.db2.gz LHBDJQHAMUIYBZ-CYBMUJFWSA-N 1 0 302.382 0.555 10 0 DCAERO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000182401715 396250072 /nfs/dbraw/zinc/25/00/72/396250072.db2.gz PLCQPUWSDSBLER-NVXWUHKLSA-N 1 0 324.421 0.401 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@@H](C)O)CC1 ZINC000183513778 396271013 /nfs/dbraw/zinc/27/10/13/396271013.db2.gz YBIJUVWSGQABQU-QWHCGFSZSA-N 1 0 314.426 0.927 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2(CO)CC2)CC1 ZINC000183706817 396273795 /nfs/dbraw/zinc/27/37/95/396273795.db2.gz GHHMKUIGKQMDHK-LBPRGKRZSA-N 1 0 312.410 0.681 10 0 DCAERO Cc1ccnc2nc(-c3nc([C@H]4C[NH2+]CCN4C)no3)nn21 ZINC000263315486 396213759 /nfs/dbraw/zinc/21/37/59/396213759.db2.gz ZJUWQUQIKJWDHE-SECBINFHSA-N 1 0 300.326 0.059 10 0 DCAERO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C1C[NH2+]C1 ZINC000263336401 396214430 /nfs/dbraw/zinc/21/44/30/396214430.db2.gz WHVVJCFRGGXOEG-HNNXBMFYSA-N 1 0 307.369 0.535 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179064010 396220561 /nfs/dbraw/zinc/22/05/61/396220561.db2.gz WZHHGOQFHBXGBX-GXFFZTMASA-N 1 0 311.407 0.476 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172801 396222812 /nfs/dbraw/zinc/22/28/12/396222812.db2.gz VZVKVBPSPPSOCJ-NXEZZACHSA-N 1 0 302.733 0.845 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171496 396223144 /nfs/dbraw/zinc/22/31/44/396223144.db2.gz YTQRGVRQOBVYNN-ZJUUUORDSA-N 1 0 307.375 0.662 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCn2ccnc21 ZINC000184396104 396293230 /nfs/dbraw/zinc/29/32/30/396293230.db2.gz VCBZFXQZKGPZDQ-GJZGRUSLSA-N 1 0 319.453 0.903 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000184805854 396306711 /nfs/dbraw/zinc/30/67/11/396306711.db2.gz LTYGSCRZILEJGL-HUUCEWRRSA-N 1 0 323.441 0.760 10 0 DCAERO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000185569417 396330357 /nfs/dbraw/zinc/33/03/57/396330357.db2.gz WYTUHDCUDWSLJX-ZIAGYGMSSA-N 1 0 306.410 0.987 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccon1 ZINC000185706521 396333372 /nfs/dbraw/zinc/33/33/72/396333372.db2.gz RWGZHWBLJIGQTC-CYBMUJFWSA-N 1 0 316.361 0.902 10 0 DCAERO CN1C[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CCC1=O ZINC000185931383 396337643 /nfs/dbraw/zinc/33/76/43/396337643.db2.gz CRNNKZJWSMYIAK-STQMWFEESA-N 1 0 309.797 0.947 10 0 DCAERO COCCC1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000186552075 396352718 /nfs/dbraw/zinc/35/27/18/396352718.db2.gz KKCCJIWYWMHOSS-ZIAGYGMSSA-N 1 0 313.442 0.900 10 0 DCAERO CNC(=O)CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000187329169 396367484 /nfs/dbraw/zinc/36/74/84/396367484.db2.gz FIUGKOFMEFCROM-UHFFFAOYSA-N 1 0 310.442 0.189 10 0 DCAERO Cn1nccc1[C@H]1[C@H](CNC(=O)C2(O)CCC2)CCC[N@@H+]1C ZINC000285655749 396351071 /nfs/dbraw/zinc/35/10/71/396351071.db2.gz XKGSDHAQIXXPFI-GXTWGEPZSA-N 1 0 306.410 0.834 10 0 DCAERO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188838333 396387245 /nfs/dbraw/zinc/38/72/45/396387245.db2.gz JGXMGTVTWGATEV-UHFFFAOYSA-N 1 0 301.390 0.652 10 0 DCAERO CN(CC(=O)N1CC[NH+]2CCC1CC2)c1ncnc2nc[nH]c21 ZINC000188821395 396387558 /nfs/dbraw/zinc/38/75/58/396387558.db2.gz HIJHESRYONQWNF-UHFFFAOYSA-N 1 0 315.381 0.096 10 0 DCAERO O=C(NC1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188977455 396388983 /nfs/dbraw/zinc/38/89/83/396388983.db2.gz VFJDAZQKVJUQCG-SMDDNHRTSA-N 1 0 323.343 0.805 10 0 DCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000189273573 396392938 /nfs/dbraw/zinc/39/29/38/396392938.db2.gz ZGZOOVRYGGKRAN-LLVKDONJSA-N 1 0 318.377 0.325 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191506482 396420173 /nfs/dbraw/zinc/42/01/73/396420173.db2.gz HQOZSNFZNIKWLL-CHWSQXEVSA-N 1 0 300.399 0.565 10 0 DCAERO CC(=O)N1CC(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000191889834 396426506 /nfs/dbraw/zinc/42/65/06/396426506.db2.gz CNRLUBGOUWBUCA-LBPRGKRZSA-N 1 0 311.426 0.016 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000191927848 396427094 /nfs/dbraw/zinc/42/70/94/396427094.db2.gz NIFFBPCYYZUCAL-PXIJXODZSA-N 1 0 310.419 0.428 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000192976881 396441912 /nfs/dbraw/zinc/44/19/12/396441912.db2.gz ZSFQUYRODAKAGO-UHFFFAOYSA-N 1 0 319.405 0.978 10 0 DCAERO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(O)c1 ZINC000371666925 396473832 /nfs/dbraw/zinc/47/38/32/396473832.db2.gz XUCSQVRVHMOOFE-HNNXBMFYSA-N 1 0 319.405 0.529 10 0 DCAERO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000372746176 396542441 /nfs/dbraw/zinc/54/24/41/396542441.db2.gz UUIVBADWBCLSIY-CQSZACIVSA-N 1 0 321.406 0.520 10 0 DCAERO CC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595719981 396652159 /nfs/dbraw/zinc/65/21/59/396652159.db2.gz GDOACWNBWUNMIL-DAXOMENPSA-N 1 0 313.394 0.617 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000533458476 396602837 /nfs/dbraw/zinc/60/28/37/396602837.db2.gz RGBNHNDSOGFMRA-ZDUSSCGKSA-N 1 0 323.445 0.720 10 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/nfs/dbraw/zinc/98/06/45/396980645.db2.gz BZMBVNGXIJEPHR-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO CO[C@H]1CN(Cc2nnnn2Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630366221 396997128 /nfs/dbraw/zinc/99/71/28/396997128.db2.gz WWDWLWQDIMPPKO-ZBFHGGJFSA-N 1 0 316.409 0.660 10 0 DCAERO CO[C@@H]1CN(Cc2nnnn2Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630366217 396997160 /nfs/dbraw/zinc/99/71/60/396997160.db2.gz WWDWLWQDIMPPKO-GOEBONIOSA-N 1 0 316.409 0.660 10 0 DCAERO CCC[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC000618676431 397010461 /nfs/dbraw/zinc/01/04/61/397010461.db2.gz SNWKTZOSSGDGLZ-VXGBXAGGSA-N 1 0 305.444 0.209 10 0 DCAERO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H](F)C[C@@H]1CO ZINC000364623829 397228331 /nfs/dbraw/zinc/22/83/31/397228331.db2.gz OKLJHYLMFMOFGN-XQHKEYJVSA-N 1 0 315.389 0.796 10 0 DCAERO CN1CCN([C@@H](CNC2=[NH+]CCCN2)c2cccs2)CC1 ZINC000574475893 397271648 /nfs/dbraw/zinc/27/16/48/397271648.db2.gz FEGACSKTZLCSBP-ZDUSSCGKSA-N 1 0 307.467 0.976 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000381347982 397272183 /nfs/dbraw/zinc/27/21/83/397272183.db2.gz DOSJBQLAYZEWLQ-NXEZZACHSA-N 1 0 316.345 0.579 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000386315296 397287715 /nfs/dbraw/zinc/28/77/15/397287715.db2.gz SWSFMMZOYQLPDD-XQQFMLRXSA-N 1 0 300.399 0.393 10 0 DCAERO C[C@@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000407958404 397336890 /nfs/dbraw/zinc/33/68/90/397336890.db2.gz RKBSAECTXRQXBJ-KBPBESRZSA-N 1 0 310.442 0.979 10 0 DCAERO COC(=O)c1cnc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000408079438 397346063 /nfs/dbraw/zinc/34/60/63/397346063.db2.gz JCNJBEUBUIRAFL-WDEREUQCSA-N 1 0 304.350 0.572 10 0 DCAERO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC1(O)CCC(C)CC1 ZINC000408425026 397356440 /nfs/dbraw/zinc/35/64/40/397356440.db2.gz ZCEFJFYGTPJPJB-MOKVOYLWSA-N 1 0 304.456 0.941 10 0 DCAERO CC(=O)N1CC[C@@](C)(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614066719 397373556 /nfs/dbraw/zinc/37/35/56/397373556.db2.gz JGURYVMKCYUGQK-CVEARBPZSA-N 1 0 311.426 0.160 10 0 DCAERO CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614068285 397374684 /nfs/dbraw/zinc/37/46/84/397374684.db2.gz MEMNCIBXZKNGRW-ZBFHGGJFSA-N 1 0 311.426 0.303 10 0 DCAERO CN1CC[NH+](CC2CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000057065549 158024386 /nfs/dbraw/zinc/02/43/86/158024386.db2.gz MQNKJISEPLNKHN-UHFFFAOYSA-N 1 0 303.410 0.576 10 0 DCAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000063465779 158031396 /nfs/dbraw/zinc/03/13/96/158031396.db2.gz RPEYRBJINDMGJF-CQSZACIVSA-N 1 0 311.426 0.424 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000063735154 158031405 /nfs/dbraw/zinc/03/14/05/158031405.db2.gz MSTKWMQMOYZMSB-UHFFFAOYSA-N 1 0 319.405 0.978 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074217135 158058757 /nfs/dbraw/zinc/05/87/57/158058757.db2.gz GVVYMLJCAHOZDF-ODWCKFRGSA-N 1 0 317.455 0.734 10 0 DCAERO CC(C)[C@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000076064196 158063530 /nfs/dbraw/zinc/06/35/30/158063530.db2.gz WSIJKAOFDNRYJM-QWHCGFSZSA-N 1 0 313.467 0.784 10 0 DCAERO O=C(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCC1 ZINC000079071617 158078009 /nfs/dbraw/zinc/07/80/09/158078009.db2.gz OZYRAVMNWNWJTG-AWEZNQCLSA-N 1 0 308.426 0.879 10 0 DCAERO COC(C)(C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000080712269 158082495 /nfs/dbraw/zinc/08/24/95/158082495.db2.gz NDLRNJJZGBYLSQ-UHFFFAOYSA-N 1 0 306.410 0.988 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083774639 158088794 /nfs/dbraw/zinc/08/87/94/158088794.db2.gz FTRPJZRCJIZDCN-NWDGAFQWSA-N 1 0 304.412 0.438 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000085362663 158089919 /nfs/dbraw/zinc/08/99/19/158089919.db2.gz NPRQIFQLFCHYIO-RYUDHWBXSA-N 1 0 311.407 0.969 10 0 DCAERO CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CC1CC(O)C1)C(=O)OC ZINC000091491041 158107798 /nfs/dbraw/zinc/10/77/98/158107798.db2.gz IZWXCZOQTLDHDR-DLOFLVKXSA-N 1 0 300.399 0.393 10 0 DCAERO Cn1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(=O)n(C)c1=O ZINC000092785810 158116388 /nfs/dbraw/zinc/11/63/88/158116388.db2.gz HDXARYCBTMRSIB-OAHLLOKOSA-N 1 0 320.437 0.534 10 0 DCAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000093310992 158121362 /nfs/dbraw/zinc/12/13/62/158121362.db2.gz IDBLGCGWQCZCFU-SJLPKXTDSA-N 1 0 322.449 0.953 10 0 DCAERO Cn1cc(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000112919073 158143783 /nfs/dbraw/zinc/14/37/83/158143783.db2.gz ZPIXGZJRJDFBRL-UHFFFAOYSA-N 1 0 304.394 0.937 10 0 DCAERO CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC000117306605 158172027 /nfs/dbraw/zinc/17/20/27/158172027.db2.gz NNHINKCARVKOEV-ZDUSSCGKSA-N 1 0 313.442 0.718 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000121796670 158215282 /nfs/dbraw/zinc/21/52/82/158215282.db2.gz ORGZYSVXJQKIJI-ZDUSSCGKSA-N 1 0 314.430 0.121 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)CCSc2nnnn2C)CC[N@@H+]1C ZINC000123810611 158234087 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DCAERO C[C@H]([NH2+]CCCn1ccnn1)c1cccc(S(N)(=O)=O)c1 ZINC000126439928 158265416 /nfs/dbraw/zinc/26/54/16/158265416.db2.gz VXZUDJYBWFWHCS-NSHDSACASA-N 1 0 309.395 0.666 10 0 DCAERO C[NH+](C)CCN1CCC(NC(=O)NCc2cscn2)CC1 ZINC000127392191 158273103 /nfs/dbraw/zinc/27/31/03/158273103.db2.gz ZPYWSMMNODPTSH-UHFFFAOYSA-N 1 0 311.455 0.968 10 0 DCAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1cnn2c1CCCC2 ZINC000128175507 158278986 /nfs/dbraw/zinc/27/89/86/158278986.db2.gz JJSIFZUFVPHYEE-ZDUSSCGKSA-N 1 0 304.394 0.812 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000130014143 158291931 /nfs/dbraw/zinc/29/19/31/158291931.db2.gz QVLNLLMHEJCNLP-CHWSQXEVSA-N 1 0 320.441 0.748 10 0 DCAERO CC[NH+]1CCN(Cc2ccc(NC(=O)CC(=O)NC)cc2)CC1 ZINC000129876470 158292193 /nfs/dbraw/zinc/29/21/93/158292193.db2.gz MKAUMJGCRGWZFE-UHFFFAOYSA-N 1 0 318.421 0.899 10 0 DCAERO C[N@H+](CCNC(=O)NC[C@]1(CCO)CCOC1)C1CCCC1 ZINC000129950671 158292377 /nfs/dbraw/zinc/29/23/77/158292377.db2.gz JMZGLGLNLYOREU-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/32/86/28/158328628.db2.gz PAYJPVFSOZCQRG-UHFFFAOYSA-N 1 0 317.455 0.260 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]([NH3+])C3)ccn2)CC1 ZINC000158484929 158352934 /nfs/dbraw/zinc/35/29/34/158352934.db2.gz BFAMNZXBFSTMHP-AWEZNQCLSA-N 1 0 303.410 0.397 10 0 DCAERO COCC[NH2+]CCNS(=O)(=O)c1cccc2ncccc21 ZINC000163323228 158361622 /nfs/dbraw/zinc/36/16/22/158361622.db2.gz SLPZPDNGWLBFDZ-UHFFFAOYSA-N 1 0 309.391 0.749 10 0 DCAERO CS(=O)(=O)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170830919 158376858 /nfs/dbraw/zinc/37/68/58/158376858.db2.gz OXILLOHRPDHITP-UHFFFAOYSA-N 1 0 317.455 0.548 10 0 DCAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170914364 158378100 /nfs/dbraw/zinc/37/81/00/158378100.db2.gz ALAQUFQTSGUDMQ-LBPRGKRZSA-N 1 0 319.471 0.538 10 0 DCAERO O=C(c1cccc2c1OCC(=O)N2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171471114 158383335 /nfs/dbraw/zinc/38/33/35/158383335.db2.gz CTEFEZQKZBUBPB-NSHDSACASA-N 1 0 301.346 0.938 10 0 DCAERO 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10 0 DCAERO CN1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCC1=O ZINC000133735253 415949082 /nfs/dbraw/zinc/94/90/82/415949082.db2.gz ZJHCAZNMOGUCGD-LSDHHAIUSA-N 1 0 303.406 0.896 10 0 DCAERO COc1ncnc(OC)c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000172056434 416044250 /nfs/dbraw/zinc/04/42/50/416044250.db2.gz XSBHDQLEMYYJMQ-GHMZBOCLSA-N 1 0 306.366 0.803 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CS[C@@H](C)CO)C1 ZINC000172985127 416051507 /nfs/dbraw/zinc/05/15/07/416051507.db2.gz ABJAJFRVDQTFJU-QWHCGFSZSA-N 1 0 304.456 0.573 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1 ZINC000173152159 416054418 /nfs/dbraw/zinc/05/44/18/416054418.db2.gz NMWFSIAIXNAQGL-UHFFFAOYSA-N 1 0 324.450 0.757 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(C)CC(F)(F)F)CC1 ZINC000173457073 416058220 /nfs/dbraw/zinc/05/82/20/416058220.db2.gz FVWIEVKDIPYRQK-LLVKDONJSA-N 1 0 311.348 0.396 10 0 DCAERO Cn1ccc(N2CCC[C@H](N3CCC([NH+](C)C)CC3)C2=O)n1 ZINC000173521999 416060108 /nfs/dbraw/zinc/06/01/08/416060108.db2.gz 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416092815 /nfs/dbraw/zinc/09/28/15/416092815.db2.gz LSBKQFNLNPXBOV-AWEZNQCLSA-N 1 0 304.394 0.778 10 0 DCAERO C[C@H]1CN([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053263 416095999 /nfs/dbraw/zinc/09/59/99/416095999.db2.gz KRHRGQHSPOMHQB-RYUDHWBXSA-N 1 0 313.423 0.801 10 0 DCAERO CC(C)N1CC[C@@H]([N@@H+]2CCCN(Cc3cnn(C)c3)CC2)C1=O ZINC000175196225 416099516 /nfs/dbraw/zinc/09/95/16/416099516.db2.gz OAVDGHRGJPKWJO-MRXNPFEDSA-N 1 0 319.453 0.937 10 0 DCAERO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175182840 416099589 /nfs/dbraw/zinc/09/95/89/416099589.db2.gz ABHOULZEEVLRRD-GFCCVEGCSA-N 1 0 317.455 0.259 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175286169 416103229 /nfs/dbraw/zinc/10/32/29/416103229.db2.gz ADABBLSVYBRVFC-GFCCVEGCSA-N 1 0 310.402 0.538 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(F)c(F)c1 ZINC000313413905 416107075 /nfs/dbraw/zinc/10/70/75/416107075.db2.gz VYEYFSDTGRSMOB-SNVBAGLBSA-N 1 0 306.334 0.373 10 0 DCAERO 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/nfs/dbraw/zinc/33/70/33/416337033.db2.gz WUUQJIBMXACAFY-NXEZZACHSA-N 1 0 303.370 0.033 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CC[N@@H+]1CC(C)(C)O ZINC000194557403 416323635 /nfs/dbraw/zinc/32/36/35/416323635.db2.gz IFRUXIJCHVPPPD-STQMWFEESA-N 1 0 311.426 0.349 10 0 DCAERO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)n1 ZINC000237851373 416328988 /nfs/dbraw/zinc/32/89/88/416328988.db2.gz LQTDJWRKKYVGCR-ZDUSSCGKSA-N 1 0 304.394 0.626 10 0 DCAERO O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001151 416329488 /nfs/dbraw/zinc/32/94/88/416329488.db2.gz VKHZYVKFYHXQFA-NEPJUHHUSA-N 1 0 323.359 0.490 10 0 DCAERO C[C@@H](CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000246108771 416331568 /nfs/dbraw/zinc/33/15/68/416331568.db2.gz JKLRESDPYNHMHN-IJEWVQPXSA-N 1 0 324.469 0.831 10 0 DCAERO CN1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000360864173 416414309 /nfs/dbraw/zinc/41/43/09/416414309.db2.gz HAVKGXQXXYVIRE-LBPRGKRZSA-N 1 0 306.366 0.858 10 0 DCAERO C[C@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCS1(=O)=O ZINC000423202778 416476934 /nfs/dbraw/zinc/47/69/34/416476934.db2.gz LFSVISFXIQPZQN-WCQYABFASA-N 1 0 302.440 0.930 10 0 DCAERO CNC(=O)CCN1CC[N@H+](CCC(=O)NC)CC12CCCCC2 ZINC000361457927 416438353 /nfs/dbraw/zinc/43/83/53/416438353.db2.gz ONUVAJCLZPUXPB-UHFFFAOYSA-N 1 0 324.469 0.579 10 0 DCAERO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1C ZINC000536560965 416544546 /nfs/dbraw/zinc/54/45/46/416544546.db2.gz GWERCFVVLAURJB-UGUYLWEFSA-N 1 0 300.443 0.957 10 0 DCAERO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000534865730 416509112 /nfs/dbraw/zinc/50/91/12/416509112.db2.gz WNPROHOBQIRMHG-ARFHVFGLSA-N 1 0 317.426 0.670 10 0 DCAERO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCCO)CC1 ZINC000440939980 416654203 /nfs/dbraw/zinc/65/42/03/416654203.db2.gz NBVTXISCKCSXFK-GFCCVEGCSA-N 1 0 300.399 0.491 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000442140315 416687163 /nfs/dbraw/zinc/68/71/63/416687163.db2.gz 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ZINC000524773124 417119246 /nfs/dbraw/zinc/11/92/46/417119246.db2.gz HEOKQRHTOLSRDE-ZDUSSCGKSA-N 1 0 318.425 0.143 10 0 DCAERO O=C(NC[C@H]1C[NH2+]CCO1)c1nscc1Br ZINC000404758358 417121032 /nfs/dbraw/zinc/12/10/32/417121032.db2.gz CWOJJGJQDARCPO-ZCFIWIBFSA-N 1 0 306.185 0.624 10 0 DCAERO Cn1nc(C(=O)N2CCN(CC[NH+](C)C)CC2)c2c1CCCC2 ZINC000449176800 417128653 /nfs/dbraw/zinc/12/86/53/417128653.db2.gz NPNBAQVYYZQEOU-UHFFFAOYSA-N 1 0 319.453 0.618 10 0 DCAERO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408059892 417137350 /nfs/dbraw/zinc/13/73/50/417137350.db2.gz IEFOQUKNTNUWEH-LXTVHRRPSA-N 1 0 323.437 0.661 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C(N)=O ZINC000408048617 417138068 /nfs/dbraw/zinc/13/80/68/417138068.db2.gz OOIFUIOMJOOSIZ-GMTAPVOTSA-N 1 0 321.343 0.841 10 0 DCAERO CC(C)(C)[C@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C[C@@H]1O ZINC000408199921 417146291 /nfs/dbraw/zinc/14/62/91/417146291.db2.gz XWTVVRWCPNJXBZ-STQMWFEESA-N 1 0 319.467 0.655 10 0 DCAERO CNc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc2ccccc21 ZINC000450448473 417226780 /nfs/dbraw/zinc/22/67/80/417226780.db2.gz AOEMJOCMMODUHV-LBPRGKRZSA-N 1 0 301.394 1.174 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CC12COC2 ZINC000451133632 417301183 /nfs/dbraw/zinc/30/11/83/417301183.db2.gz JZQPFDQXUQVZSM-RYUDHWBXSA-N 1 0 312.410 0.801 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)N2CCCCC2)CC12COC2 ZINC000451133575 417304088 /nfs/dbraw/zinc/30/40/88/417304088.db2.gz JVDVFBRCOIFDEW-AWEZNQCLSA-N 1 0 324.421 0.901 10 0 DCAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3COC[C@@H]3O)cc2)CC1 ZINC000633853568 417495879 /nfs/dbraw/zinc/49/58/79/417495879.db2.gz HSFXWFJWIFIDHJ-CVEARBPZSA-N 1 0 319.405 0.318 10 0 DCAERO O=C(CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)N1CCCCC1 ZINC000634954185 417548701 /nfs/dbraw/zinc/54/87/01/417548701.db2.gz WCNHMCBCJDVVAJ-CYBMUJFWSA-N 1 0 302.440 0.946 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)C3)nn12 ZINC000628424992 417619651 /nfs/dbraw/zinc/61/96/51/417619651.db2.gz XQUGIZZTMHAURL-MELADBBJSA-N 1 0 314.393 0.860 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](n3cncn3)C2)CC1 ZINC000105923164 261107795 /nfs/dbraw/zinc/10/77/95/261107795.db2.gz STYJSHXDAYNAOS-HNNXBMFYSA-N 1 0 320.441 0.516 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000105933141 261107916 /nfs/dbraw/zinc/10/79/16/261107916.db2.gz RWRQSCKSZZRLHX-WFASDCNBSA-N 1 0 309.385 0.751 10 0 DCAERO CCC[C@@H](C(=O)N1CCC(NS(=O)(=O)CC)CC1)[NH+](C)C ZINC000179494015 261113294 /nfs/dbraw/zinc/11/32/94/261113294.db2.gz TTXHKNXEQYNCHM-ZDUSSCGKSA-N 1 0 319.471 0.647 10 0 DCAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000187919964 261124647 /nfs/dbraw/zinc/12/46/47/261124647.db2.gz BKPRGZOIAZZECZ-WBMJQRKESA-N 1 0 314.426 0.927 10 0 DCAERO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000188612613 261129940 /nfs/dbraw/zinc/12/99/40/261129940.db2.gz RBVWHIZAVKTJMR-AWEZNQCLSA-N 1 0 300.447 0.690 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000234607393 261154944 /nfs/dbraw/zinc/15/49/44/261154944.db2.gz BOSRUZAMQIEYGD-IJLUTSLNSA-N 1 0 304.412 0.294 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262756020 261167274 /nfs/dbraw/zinc/16/72/74/261167274.db2.gz HYFMZEJMNHEJSE-QWRGUYRKSA-N 1 0 314.407 0.980 10 0 DCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000393050807 262161459 /nfs/dbraw/zinc/16/14/59/262161459.db2.gz PNNNPCDBGRXYBA-VXNVDRBHSA-N 1 0 301.188 0.939 10 0 DCAERO CC(C)(C)NC(=O)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424111671 262479912 /nfs/dbraw/zinc/47/99/12/262479912.db2.gz GULHWDAHXJUIEW-NSHDSACASA-N 1 0 322.413 0.237 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCC(C)CC1 ZINC000458041352 271941527 /nfs/dbraw/zinc/94/15/27/271941527.db2.gz DABUUYSKRVJGOT-ZIAGYGMSSA-N 1 0 324.429 0.059 10 0 DCAERO O[C@@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691290 272004153 /nfs/dbraw/zinc/00/41/53/272004153.db2.gz GGNJJONEYHCJQI-SJORKVTESA-N 1 0 315.421 0.893 10 0 DCAERO CN(CCCO)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000459912113 272018998 /nfs/dbraw/zinc/01/89/98/272018998.db2.gz GUMHJPUPPXQMNM-UHFFFAOYSA-N 1 0 311.426 0.304 10 0 DCAERO Cn1ncc(Br)c1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000487565275 272041872 /nfs/dbraw/zinc/04/18/72/272041872.db2.gz ZFDTVMRHCWLMLM-LLVKDONJSA-N 1 0 303.204 0.339 10 0 DCAERO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000512410040 272397677 /nfs/dbraw/zinc/39/76/77/272397677.db2.gz HGXSZOWWYWLVCG-MELADBBJSA-N 1 0 313.442 0.803 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](CO)C2CCCCC2)C1 ZINC000521072588 272528831 /nfs/dbraw/zinc/52/88/31/272528831.db2.gz IZIPYMOSVPVWHP-TZMCWYRMSA-N 1 0 304.456 0.799 10 0 DCAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000262483209 273579603 /nfs/dbraw/zinc/57/96/03/273579603.db2.gz KEDCRGUSOMAIPZ-ZDUSSCGKSA-N 1 0 303.410 0.903 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 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COc1ccccc1[C@H]1C[NH2+]CCN1CCC(=O)NC(N)=O ZINC000262232578 662185549 /nfs/dbraw/zinc/18/55/49/662185549.db2.gz ODPLAZHNISQRLD-GFCCVEGCSA-N 1 0 306.366 0.227 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728155016 662358714 /nfs/dbraw/zinc/35/87/14/662358714.db2.gz OHEUISNSJKFKJL-ILXRZTDVSA-N 1 0 315.410 0.628 10 0 DCAERO C[C@H](Cn1cccn1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262448295 662392251 /nfs/dbraw/zinc/39/22/51/662392251.db2.gz HMDWRHLYWRLSOQ-NFFDBFGFSA-N 1 0 306.410 0.920 10 0 DCAERO O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000040861303 663051018 /nfs/dbraw/zinc/05/10/18/663051018.db2.gz SXPSTMNDQZQLJJ-NXEZZACHSA-N 1 0 315.361 0.847 10 0 DCAERO CO[C@@]1(C[NH2+]C2CCN(C(C)C)CC2)CCS(=O)(=O)C1 ZINC000721255672 663077601 /nfs/dbraw/zinc/07/76/01/663077601.db2.gz OFLRXJLEMTXWSC-CQSZACIVSA-N 1 0 304.456 0.653 10 0 DCAERO C[C@@H]([NH3+])CCNS(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000183139067 665987180 /nfs/dbraw/zinc/98/71/80/665987180.db2.gz DXSVFXURMKXKHL-GFCCVEGCSA-N 1 0 314.407 0.777 10 0 DCAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)C1 ZINC000908096053 663732981 /nfs/dbraw/zinc/73/29/81/663732981.db2.gz LSHCBFFGIVCZTR-BBRMVZONSA-N 1 0 321.425 0.737 10 0 DCAERO C/C=C\[C@H](O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000908108491 663734151 /nfs/dbraw/zinc/73/41/51/663734151.db2.gz WUEFJRIEYOPHFI-KFONCHKLSA-N 1 0 306.410 0.856 10 0 DCAERO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912415004 664169233 /nfs/dbraw/zinc/16/92/33/664169233.db2.gz AWVRWXAKGBBCHQ-JKSUJKDBSA-N 1 0 304.390 0.728 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2ncc3ccccc3c2=O)CCO1 ZINC000152984292 664785604 /nfs/dbraw/zinc/78/56/04/664785604.db2.gz GZKSVUZNTZGBTF-CQSZACIVSA-N 1 0 302.378 0.616 10 0 DCAERO COc1ccc(OC)c([C@H](O)CNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000153573585 664889951 /nfs/dbraw/zinc/88/99/51/664889951.db2.gz NXBKNKXQUVRYFC-SMDDNHRTSA-N 1 0 308.378 0.853 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Br)cnc1F ZINC000700865200 666775181 /nfs/dbraw/zinc/77/51/81/666775181.db2.gz TWMAMOOULYLYAS-HZGVNTEJSA-N 1 0 318.146 0.293 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700886328 666778356 /nfs/dbraw/zinc/77/83/56/666778356.db2.gz HTONVNKTBLFIJL-HBNTYKKESA-N 1 0 306.453 0.163 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000702347906 666939903 /nfs/dbraw/zinc/93/99/03/666939903.db2.gz AYEIMQPHJHUUDW-HNNXBMFYSA-N 1 0 301.394 0.437 10 0 DCAERO CC(C)C[C@@H](O)CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702402388 666954913 /nfs/dbraw/zinc/95/49/13/666954913.db2.gz LCOBJOXKRQINCA-HZPDHXFCSA-N 1 0 307.438 0.969 10 0 DCAERO O=S(=O)(c1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)cc1)C(F)F ZINC000702858709 667005368 /nfs/dbraw/zinc/00/53/68/667005368.db2.gz HNPIDRXUCSSKJS-KWQFWETISA-N 1 0 306.334 0.675 10 0 DCAERO Cn1cc(Br)c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000703612725 667115360 /nfs/dbraw/zinc/11/53/60/667115360.db2.gz UFSIIWOIJZDFHN-QPUJVOFHSA-N 1 0 313.199 0.864 10 0 DCAERO Cn1nccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709821525 667445749 /nfs/dbraw/zinc/44/57/49/667445749.db2.gz XDTYQIVBJHCBSZ-HTQZYQBOSA-N 1 0 312.317 0.178 10 0 DCAERO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000710135325 667445928 /nfs/dbraw/zinc/44/59/28/667445928.db2.gz QUDFKBMRTJIABF-MGNBDDOMSA-N 1 0 311.473 0.941 10 0 DCAERO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)C[C@@H]1CCCO1)C2 ZINC000710138926 667445949 /nfs/dbraw/zinc/44/59/49/667445949.db2.gz NSRBROUAQPHTAF-VIFPVBQESA-N 1 0 317.436 0.469 10 0 DCAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCNS(C)(=O)=O)C1 ZINC000711440357 667468214 /nfs/dbraw/zinc/46/82/14/667468214.db2.gz BMPPVNHTXYRPDB-UHFFFAOYSA-N 1 0 321.443 0.429 10 0 DCAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1 ZINC000711490043 667481041 /nfs/dbraw/zinc/48/10/41/667481041.db2.gz HWYCCUHVHGKTDB-UHFFFAOYSA-N 1 0 306.428 0.924 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711627066 667512516 /nfs/dbraw/zinc/51/25/16/667512516.db2.gz UOXQGQKIBQHFKU-GXSJLCMTSA-N 1 0 304.803 0.636 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000717291308 667529347 /nfs/dbraw/zinc/52/93/47/667529347.db2.gz CYTLOZUBTUAQHT-AXTRIDKLSA-N 1 0 304.184 0.814 10 0 DCAERO COCCNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000086999376 667536555 /nfs/dbraw/zinc/53/65/55/667536555.db2.gz PYPYOTOVULGYGX-UHFFFAOYSA-N 1 0 304.354 0.327 10 0 DCAERO O=C(COC1CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000717737288 667878787 /nfs/dbraw/zinc/87/87/87/667878787.db2.gz HWJAGJKKOKSILX-KRWDZBQOSA-N 1 0 304.390 0.919 10 0 DCAERO CCOCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717066997 668206080 /nfs/dbraw/zinc/20/60/80/668206080.db2.gz OXIUSWGXMKRZFJ-DTWKUNHWSA-N 1 0 304.334 0.564 10 0 DCAERO CN(C)S(=O)(=O)CCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717116129 668991026 /nfs/dbraw/zinc/99/10/26/668991026.db2.gz XJTJOEJAYQBODN-DTWKUNHWSA-N 1 0 303.350 0.089 10 0 DCAERO COc1cccc([C@H](O)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000159668740 669940483 /nfs/dbraw/zinc/94/04/83/669940483.db2.gz MWXBYPSFGGXAML-INIZCTEOSA-N 1 0 322.405 0.957 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000188438174 670011214 /nfs/dbraw/zinc/01/12/14/670011214.db2.gz FEXSMDRFZBINTP-CYBMUJFWSA-N 1 0 320.437 0.746 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713893431 670169128 /nfs/dbraw/zinc/16/91/28/670169128.db2.gz QUCBAJILQWKJDM-ZIAGYGMSSA-N 1 0 305.378 0.254 10 0 DCAERO O=S(=O)(CCCC1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000714987759 670200146 /nfs/dbraw/zinc/20/01/46/670200146.db2.gz YEGKCMZEIYGOKB-AWEZNQCLSA-N 1 0 301.456 0.486 10 0 DCAERO O=C1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CN1CC1CC1 ZINC000716816081 670273541 /nfs/dbraw/zinc/27/35/41/670273541.db2.gz HYTSMCFNYMDCNC-ZDUSSCGKSA-N 1 0 300.424 0.412 10 0 DCAERO CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193482443 670288651 /nfs/dbraw/zinc/28/86/51/670288651.db2.gz CMAPHADQPDOFQN-YNVXZPTESA-N 1 0 302.378 0.711 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000195234257 670475315 /nfs/dbraw/zinc/47/53/15/670475315.db2.gz OZHVBGPDNLORAN-LSDHHAIUSA-N 1 0 312.435 0.908 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195482316 670495300 /nfs/dbraw/zinc/49/53/00/670495300.db2.gz WDGQGEYCNWXAEO-AWEZNQCLSA-N 1 0 311.451 0.898 10 0 DCAERO c1nnc2c(NCc3cc(O[C@@H]4CC[NH2+]C4)ccn3)nccn12 ZINC000818629499 671038869 /nfs/dbraw/zinc/03/88/69/671038869.db2.gz XPCYLIHEHUVJNY-CYBMUJFWSA-N 1 0 311.349 0.872 10 0 DCAERO COCC[N@@H+]1CCN(CN2CC(=O)N(C(C)C)C2=O)C[C@@H]1C ZINC000117322564 671192954 /nfs/dbraw/zinc/19/29/54/671192954.db2.gz JTQMVUCBVPRVIV-ZDUSSCGKSA-N 1 0 312.414 0.269 10 0 DCAERO Cn1ncc(N2C[C@H]([NH3+])C(C)(C)C2)c(Br)c1=O ZINC000720827731 685315418 /nfs/dbraw/zinc/31/54/18/685315418.db2.gz QTXOILOZOYIINH-QMMMGPOBSA-N 1 0 301.188 0.716 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720889459 685316443 /nfs/dbraw/zinc/31/64/43/685316443.db2.gz DVYRRMADUNFKNC-NXEZZACHSA-N 1 0 315.361 0.929 10 0 DCAERO Cn1cc(CNC[C@H](O)C[N@H+](C)C2CC2)c(Br)n1 ZINC000720682432 685314278 /nfs/dbraw/zinc/31/42/78/685314278.db2.gz VMRUPMZUZJWJKE-NSHDSACASA-N 1 0 317.231 0.727 10 0 DCAERO Cc1c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cnn1C ZINC000720894120 685317511 /nfs/dbraw/zinc/31/75/11/685317511.db2.gz RRCFPOGGGSOCCO-HTQZYQBOSA-N 1 0 312.317 0.239 10 0 DCAERO CN1C[C@@H](C[NH2+]Cc2cc(Br)nn2C)CC1=O ZINC000723594421 685319656 /nfs/dbraw/zinc/31/96/56/685319656.db2.gz LPEZMLJORQOOPX-MRVPVSSYSA-N 1 0 301.188 0.751 10 0 DCAERO CCCN1C(=O)C(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000247196736 685170807 /nfs/dbraw/zinc/17/08/07/685170807.db2.gz VUCNYZGAAKYNDU-NEPJUHHUSA-N 1 0 308.382 0.313 10 0 DCAERO CCOC(=O)c1cn(CN2CC[N@H+](CCOC)[C@@H](C)C2)nc1C ZINC000247275915 685171180 /nfs/dbraw/zinc/17/11/80/685171180.db2.gz ZXAAWLMXFHLIST-ZDUSSCGKSA-N 1 0 324.425 0.978 10 0 DCAERO C[C@H]1C[C@H](NC(=O)Cn2ncc(=O)c3ccccc32)CC[N@@H+]1C ZINC000332893028 1158254842 /nfs/dbraw/zinc/25/48/42/1158254842.db2.gz PDXVUBYXSNDQPN-QWHCGFSZSA-N 1 0 314.389 0.995 10 0 DCAERO C[NH+](C)CCCNC(=S)NCCNC(=O)c1ccccc1 ZINC000043567765 1171546191 /nfs/dbraw/zinc/54/61/91/1171546191.db2.gz DNLZCAPGFSKUPB-UHFFFAOYSA-N 1 0 308.451 0.832 10 0 DCAERO NC(=O)N1CCC[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000048285274 1171653021 /nfs/dbraw/zinc/65/30/21/1171653021.db2.gz SDSWDDCQADZHQC-CYBMUJFWSA-N 1 0 312.414 0.006 10 0 DCAERO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2nc(C)cs2)CC1 ZINC000117385642 1176570730 /nfs/dbraw/zinc/57/07/30/1176570730.db2.gz RYAYDIZYTWZMDX-UHFFFAOYSA-N 1 0 310.423 0.622 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460695 1183097790 /nfs/dbraw/zinc/09/77/90/1183097790.db2.gz GAWYZUXLPKODCN-DZGCQCFKSA-N 1 0 324.469 0.372 10 0 DCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnc(C3CC3)[nH]2)CC1 ZINC000182472582 1185187874 /nfs/dbraw/zinc/18/78/74/1185187874.db2.gz 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DCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(N)=O ZINC000248935032 396000428 /nfs/dbraw/zinc/00/04/28/396000428.db2.gz YEVJSCVFWCOHHR-GXTWGEPZSA-N 1 0 304.394 0.682 10 0 DCAERO Cc1noc(C)c1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000148481348 395968712 /nfs/dbraw/zinc/96/87/12/395968712.db2.gz GDOAITNGSFEKRJ-CYBMUJFWSA-N 1 0 310.398 0.937 10 0 DCAERO CC[C@@H]1CN(CC(=O)NCc2ccco2)CC[N@@H+]1C[C@H](C)O ZINC000247438219 395973349 /nfs/dbraw/zinc/97/33/49/395973349.db2.gz ZLIQVIRCLUVJGO-UONOGXRCSA-N 1 0 309.410 0.673 10 0 DCAERO COc1ccccc1COC[C@H](O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249030119 396001621 /nfs/dbraw/zinc/00/16/21/396001621.db2.gz LNZCPGHUHNKHTK-UKRRQHHQSA-N 1 0 322.405 0.783 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1C[C@H](C)O ZINC000248454343 395987946 /nfs/dbraw/zinc/98/79/46/395987946.db2.gz LTYGSCRZILEJGL-GJZGRUSLSA-N 1 0 323.441 0.760 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248686459 395994870 /nfs/dbraw/zinc/99/48/70/395994870.db2.gz HHCYJXFUFGBXPH-STQMWFEESA-N 1 0 324.425 0.484 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(NC(N)=O)CC1 ZINC000248727803 395995169 /nfs/dbraw/zinc/99/51/69/395995169.db2.gz CYAZTJXJGXVWPA-GXTWGEPZSA-N 1 0 316.405 0.824 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCOC3(CCC3)C2)C1 ZINC000154250234 396034908 /nfs/dbraw/zinc/03/49/08/396034908.db2.gz QAHFXPYLILJLJN-ZDUSSCGKSA-N 1 0 302.440 0.913 10 0 DCAERO CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+](C)C ZINC000154761794 396042253 /nfs/dbraw/zinc/04/22/53/396042253.db2.gz JWZKSVHUYIAXAX-GWCFXTLKSA-N 1 0 313.423 0.851 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(-n2cnnn2)c1 ZINC000155338000 396049264 /nfs/dbraw/zinc/04/92/64/396049264.db2.gz IJVMEYJSINNBNU-VXGBXAGGSA-N 1 0 300.366 0.827 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1cnc2ccccc2c1=O ZINC000155335438 396049640 /nfs/dbraw/zinc/04/96/40/396049640.db2.gz JTFYVUMCJXXQNT-BETUJISGSA-N 1 0 314.389 0.948 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2ncccc2c1 ZINC000261621304 396050466 /nfs/dbraw/zinc/05/04/66/396050466.db2.gz AWMAJIRUEYBTMY-UHFFFAOYSA-N 1 0 312.373 0.739 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2c(C)ccn(C)c2=O)CC1 ZINC000155493836 396052601 /nfs/dbraw/zinc/05/26/01/396052601.db2.gz WQZCEBPMYQHXMD-ZDUSSCGKSA-N 1 0 322.409 0.614 10 0 DCAERO [NH3+]C1(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CCOCC1 ZINC000261686947 396056228 /nfs/dbraw/zinc/05/62/28/396056228.db2.gz CWZMLPJRAOLIFA-UHFFFAOYSA-N 1 0 311.769 0.903 10 0 DCAERO CN1CC[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC1=O ZINC000261729170 396059901 /nfs/dbraw/zinc/05/99/01/396059901.db2.gz MNFFTSMXVRFIFY-HNNXBMFYSA-N 1 0 303.406 0.885 10 0 DCAERO Cc1cc(NC(=O)CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)no1 ZINC000261746079 396062077 /nfs/dbraw/zinc/06/20/77/396062077.db2.gz JAQAYMPBUXNKON-INIZCTEOSA-N 1 0 321.425 0.539 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)nn1C ZINC000249163091 396003821 /nfs/dbraw/zinc/00/38/21/396003821.db2.gz JQJGRUPVVPGHTA-OLZOCXBDSA-N 1 0 319.409 0.752 10 0 DCAERO C[C@@H]1COCCN1CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000249515114 396009156 /nfs/dbraw/zinc/00/91/56/396009156.db2.gz IWDKABPEZUCNFL-QZTJIDSGSA-N 1 0 324.513 0.809 10 0 DCAERO O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249832618 396012767 /nfs/dbraw/zinc/01/27/67/396012767.db2.gz PLWSSKXXSOSNIJ-KGLIPLIRSA-N 1 0 317.389 0.935 10 0 DCAERO CN1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000250527959 396014920 /nfs/dbraw/zinc/01/49/20/396014920.db2.gz ROXPXUKDLJQZCF-DZGCQCFKSA-N 1 0 321.352 0.766 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000152767261 396016124 /nfs/dbraw/zinc/01/61/24/396016124.db2.gz GFQVKYPKJWPPHZ-CHWSQXEVSA-N 1 0 317.455 0.547 10 0 DCAERO [NH3+]CC1(C(=O)NCCNC(=O)c2ccccc2F)CCOCC1 ZINC000261974383 396086113 /nfs/dbraw/zinc/08/61/13/396086113.db2.gz QYXZKAORDFLOFN-UHFFFAOYSA-N 1 0 323.368 0.427 10 0 DCAERO C[C@@H]1C[NH2+]CCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262027611 396091372 /nfs/dbraw/zinc/09/13/72/396091372.db2.gz NLWGJGSRVGKSPQ-LLVKDONJSA-N 1 0 300.362 0.296 10 0 DCAERO [NH3+]CC1(C(=O)NCCC(=O)Nc2ccncc2)CCOCC1 ZINC000262075498 396096431 /nfs/dbraw/zinc/09/64/31/396096431.db2.gz CASKKEAYCLOTDX-UHFFFAOYSA-N 1 0 306.366 0.282 10 0 DCAERO COC(=O)c1nccc2c1cccc2S(=O)(=O)NCCC[NH3+] ZINC000262116788 396100383 /nfs/dbraw/zinc/10/03/83/396100383.db2.gz IVVYFOANCRKDPH-UHFFFAOYSA-N 1 0 323.374 0.649 10 0 DCAERO COC(=O)c1ccc(-n2nncc2CN2CCC[NH2+]CC2)cc1 ZINC000070461024 396102190 /nfs/dbraw/zinc/10/21/90/396102190.db2.gz LNLQZDPGQAIMGX-UHFFFAOYSA-N 1 0 315.377 0.849 10 0 DCAERO CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)[C@H]([NH3+])COC)cc1 ZINC000262298679 396119939 /nfs/dbraw/zinc/11/99/39/396119939.db2.gz ZRDYFWIWNRGCFE-SWLSCSKDSA-N 1 0 321.421 0.988 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262301231 396120228 /nfs/dbraw/zinc/12/02/28/396120228.db2.gz BNCQZWRIDXRGAJ-CABCVRRESA-N 1 0 322.453 0.140 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000262366755 396131243 /nfs/dbraw/zinc/13/12/43/396131243.db2.gz WFCKPYAJZCZHRC-LBPRGKRZSA-N 1 0 311.357 0.457 10 0 DCAERO C[C@@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000173989944 396137260 /nfs/dbraw/zinc/13/72/60/396137260.db2.gz XTWSXKWBWFVXCG-RYUDHWBXSA-N 1 0 310.423 0.877 10 0 DCAERO O=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262417768 396138380 /nfs/dbraw/zinc/13/83/80/396138380.db2.gz QDGHXRNANQWHAB-PSASIEDQSA-N 1 0 320.176 0.606 10 0 DCAERO COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262433117 396139569 /nfs/dbraw/zinc/13/95/69/396139569.db2.gz RXQSWQNJUOTHJL-IHRRRGAJSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1=O ZINC000261901950 396078275 /nfs/dbraw/zinc/07/82/75/396078275.db2.gz HUUQEHPNXLBPKA-JQOWZUPLSA-N 1 0 307.438 0.742 10 0 DCAERO [NH3+]C1(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCOCC1 ZINC000261917897 396079318 /nfs/dbraw/zinc/07/93/18/396079318.db2.gz URPKBWJKNUMPMS-GFCCVEGCSA-N 1 0 309.410 0.544 10 0 DCAERO O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccco1 ZINC000261923398 396080429 /nfs/dbraw/zinc/08/04/29/396080429.db2.gz KQVAGUOHNVRJFN-BFHYXJOUSA-N 1 0 307.394 0.756 10 0 DCAERO C[C@@H]1CN(C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000261940931 396081855 /nfs/dbraw/zinc/08/18/55/396081855.db2.gz XKJWCEFMRDQIPN-CHWSQXEVSA-N 1 0 313.442 0.498 10 0 DCAERO NC(=O)CCOc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261960685 396084435 /nfs/dbraw/zinc/08/44/35/396084435.db2.gz XPKGEYACPBMDRZ-UHFFFAOYSA-N 1 0 321.377 0.635 10 0 DCAERO CSc1cc2c(cc1CNC[C@H]1C[NH2+]C[C@@H]1O)OCCO2 ZINC000263189053 396205202 /nfs/dbraw/zinc/20/52/02/396205202.db2.gz HQZBSTXWIIHBCW-RYUDHWBXSA-N 1 0 310.419 0.850 10 0 DCAERO CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263215576 396206128 /nfs/dbraw/zinc/20/61/28/396206128.db2.gz KVLGFEZWGIPKNH-TZMCWYRMSA-N 1 0 319.471 0.682 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2ccc3c(c2)OCO3)n1 ZINC000263227143 396206599 /nfs/dbraw/zinc/20/65/99/396206599.db2.gz MYGXFHHKBLRVTN-NSHDSACASA-N 1 0 302.334 0.965 10 0 DCAERO Cn1cc(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000262495070 396146590 /nfs/dbraw/zinc/14/65/90/396146590.db2.gz LHOOVZQLIAHBRF-DVOMOZLQSA-N 1 0 306.410 0.611 10 0 DCAERO Cc1nccn1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262507645 396148614 /nfs/dbraw/zinc/14/86/14/396148614.db2.gz MQGPASMDRBMECS-HEHGZKQESA-N 1 0 306.410 0.840 10 0 DCAERO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263297848 396212937 /nfs/dbraw/zinc/21/29/37/396212937.db2.gz WQGKCOKTVZRMRG-ONGXEEELSA-N 1 0 322.331 0.340 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262514838 396150041 /nfs/dbraw/zinc/15/00/41/396150041.db2.gz KBDYWJIQVARQKS-HUUCEWRRSA-N 1 0 319.405 0.181 10 0 DCAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000262545999 396154018 /nfs/dbraw/zinc/15/40/18/396154018.db2.gz SBOKBFCDELMTGK-WDMOLILDSA-N 1 0 323.343 0.663 10 0 DCAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000262556148 396154443 /nfs/dbraw/zinc/15/44/43/396154443.db2.gz UGKRCVVRLRNGSJ-CQSZACIVSA-N 1 0 303.410 0.903 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@H]1CC[NH2+]C1 ZINC000262563099 396155859 /nfs/dbraw/zinc/15/58/59/396155859.db2.gz AQBAQXLLGUFOED-LLVKDONJSA-N 1 0 316.361 0.218 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N[C@H]2CCCC[C@H]2C[NH3+])n1C ZINC000262644911 396167536 /nfs/dbraw/zinc/16/75/36/396167536.db2.gz UPFCUFBWWYOVPI-STQMWFEESA-N 1 0 308.430 0.189 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000262650150 396168569 /nfs/dbraw/zinc/16/85/69/396168569.db2.gz WMEHGLJODLRPJJ-TVQRCGJNSA-N 1 0 306.366 0.214 10 0 DCAERO CNC(=O)c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000074764478 396171354 /nfs/dbraw/zinc/17/13/54/396171354.db2.gz IYVDGHRJHLVXJH-LBPRGKRZSA-N 1 0 319.409 0.749 10 0 DCAERO C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177801467 396184015 /nfs/dbraw/zinc/18/40/15/396184015.db2.gz WPVGAQPJKXCSEW-RYUDHWBXSA-N 1 0 307.394 0.820 10 0 DCAERO C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)CC1(C)OCCO1 ZINC000262820365 396184572 /nfs/dbraw/zinc/18/45/72/396184572.db2.gz WSVINNHOTVWDIO-SNVBAGLBSA-N 1 0 308.382 0.574 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCn1nc2ccccn2c1=O ZINC000262853241 396187705 /nfs/dbraw/zinc/18/77/05/396187705.db2.gz SOHTVJVUJWKHJE-NWDGAFQWSA-N 1 0 303.366 0.000 10 0 DCAERO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000182041948 396245700 /nfs/dbraw/zinc/24/57/00/396245700.db2.gz OSSQFJQGCVCHNU-ZWKOTPCHSA-N 1 0 322.449 0.869 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(=O)N(C)C)cn2)CC1 ZINC000078523954 396246646 /nfs/dbraw/zinc/24/66/46/396246646.db2.gz IYSVIGZOAAMSKS-AWEZNQCLSA-N 1 0 306.410 0.676 10 0 DCAERO C[C@H]1C[NH+](CCCNC(=O)NCCCn2ccnn2)C[C@H](C)O1 ZINC000182147490 396247132 /nfs/dbraw/zinc/24/71/32/396247132.db2.gz GJQCFXUNIVZXCW-KBPBESRZSA-N 1 0 324.429 0.467 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183626365 396272677 /nfs/dbraw/zinc/27/26/77/396272677.db2.gz VEUIBJCZCMGVRK-GFCCVEGCSA-N 1 0 323.393 0.822 10 0 DCAERO CCC[C@H](C(=O)NCc1cccc(S(N)(=O)=O)c1)[NH+](C)C ZINC000179140433 396221938 /nfs/dbraw/zinc/22/19/38/396221938.db2.gz JAELXZANTFTDHK-CYBMUJFWSA-N 1 0 313.423 0.681 10 0 DCAERO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1n[nH]c2ccc(OC)cc21 ZINC000077419564 396222480 /nfs/dbraw/zinc/22/24/80/396222480.db2.gz HICWXNQTOIHPHB-BMIGLBTASA-N 1 0 317.393 0.609 10 0 DCAERO OCCC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179748893 396229256 /nfs/dbraw/zinc/22/92/56/396229256.db2.gz KSCHCWZXJFTHPN-IRXDYDNUSA-N 1 0 308.422 0.783 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185032267 396315369 /nfs/dbraw/zinc/31/53/69/396315369.db2.gz ZQZCBFHSQLPYKB-ZDUSSCGKSA-N 1 0 321.425 0.871 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184315386 396290106 /nfs/dbraw/zinc/29/01/06/396290106.db2.gz UYSHLKZBZFDZCC-ZDUSSCGKSA-N 1 0 321.425 0.919 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184418713 396295262 /nfs/dbraw/zinc/29/52/62/396295262.db2.gz GKAPCEGJOGNYPD-CYBMUJFWSA-N 1 0 321.425 0.776 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000184823071 396307662 /nfs/dbraw/zinc/30/76/62/396307662.db2.gz BCVUXTFTOMKZDS-HUUCEWRRSA-N 1 0 319.405 0.945 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859421 396308450 /nfs/dbraw/zinc/30/84/50/396308450.db2.gz SNJOHCAQXBGBSP-GDBMZVCRSA-N 1 0 324.469 0.569 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186218099 396344938 /nfs/dbraw/zinc/34/49/38/396344938.db2.gz HHCYJXFUFGBXPH-CHWSQXEVSA-N 1 0 324.425 0.484 10 0 DCAERO CNC(=O)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000186242827 396346343 /nfs/dbraw/zinc/34/63/43/396346343.db2.gz RJBAERQDQMOFSN-UHFFFAOYSA-N 1 0 304.394 0.509 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000186117888 396341862 /nfs/dbraw/zinc/34/18/62/396341862.db2.gz 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/nfs/dbraw/zinc/83/99/22/396839922.db2.gz ZCFGSMRKMIRZDK-CQSZACIVSA-N 1 0 306.410 0.412 10 0 DCAERO COC(=O)c1cnc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000611289690 396850717 /nfs/dbraw/zinc/85/07/17/396850717.db2.gz MRAVUGNSZZRSQO-UHFFFAOYSA-N 1 0 318.337 0.274 10 0 DCAERO COC(=O)CC(C)(C)CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000611418841 396863506 /nfs/dbraw/zinc/86/35/06/396863506.db2.gz CINYLQBKYKDUEK-UHFFFAOYSA-N 1 0 313.442 0.672 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611668428 396905466 /nfs/dbraw/zinc/90/54/66/396905466.db2.gz IZBKUTLVBMPWOI-ZIAGYGMSSA-N 1 0 309.410 0.352 10 0 DCAERO C[C@]1(CNC(=O)N2CCC[C@H]2Cn2ccnn2)CCC[NH2+]C1 ZINC000333866503 396934593 /nfs/dbraw/zinc/93/45/93/396934593.db2.gz TWCJAWGRWAXZJA-ZFWWWQNUSA-N 1 0 306.414 0.842 10 0 DCAERO O=C([C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)N1CCCC1 ZINC000601073795 397000694 /nfs/dbraw/zinc/00/06/94/397000694.db2.gz PUWZKAYKSMKBPK-LSDHHAIUSA-N 1 0 306.410 0.578 10 0 DCAERO O=C(NCc1n[nH]cc1Br)[C@@H]1CC(F)(F)CN1 ZINC000573244154 397149622 /nfs/dbraw/zinc/14/96/22/397149622.db2.gz SYJQTDQHNHQKAB-LURJTMIESA-N 1 0 309.114 0.786 10 0 DCAERO c1c(C[NH2+]CCCOC[C@H]2CCCO2)nnn1C[C@H]1CCOC1 ZINC000631036668 397158689 /nfs/dbraw/zinc/15/86/89/397158689.db2.gz GQZLDFSOMLOWFV-GDBMZVCRSA-N 1 0 324.425 0.990 10 0 DCAERO O=C(N1CCO[C@@H](Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC000377897958 397160435 /nfs/dbraw/zinc/16/04/35/397160435.db2.gz LVJZOXYGYIPZQB-CQSZACIVSA-N 1 0 304.394 0.739 10 0 DCAERO c1c(CNCCOC[C@@H]2CCCO2)nnn1C[C@@H]1CCOC1 ZINC000631074311 397165369 /nfs/dbraw/zinc/16/53/69/397165369.db2.gz YGFNBILPGPSVPF-ZFWWWQNUSA-N 1 0 310.398 0.600 10 0 DCAERO CC(=O)CSCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598541829 397247356 /nfs/dbraw/zinc/24/73/56/397247356.db2.gz WDIFKGBMSPGKPO-ZDUSSCGKSA-N 1 0 302.440 0.878 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1C1CCCC1 ZINC000381107108 397271548 /nfs/dbraw/zinc/27/15/48/397271548.db2.gz DGAPJHQQJMKZAY-ZIAGYGMSSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3CC3)CC2)CCO1 ZINC000407951163 397333949 /nfs/dbraw/zinc/33/39/49/397333949.db2.gz BLXGQEAVRUDSHY-GFCCVEGCSA-N 1 0 309.410 0.224 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408180634 397349012 /nfs/dbraw/zinc/34/90/12/397349012.db2.gz UCEMNWOMYVKVPR-ZYHUDNBSSA-N 1 0 310.316 0.480 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408349211 397353467 /nfs/dbraw/zinc/35/34/67/397353467.db2.gz NMQDRDWRILBIAP-ZDUSSCGKSA-N 1 0 306.428 0.196 10 0 DCAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ncnc3[nH]ccc32)C1 ZINC000614070724 397376260 /nfs/dbraw/zinc/37/62/60/397376260.db2.gz KHEQALIBWVALKU-HNNXBMFYSA-N 1 0 303.366 0.438 10 0 DCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404055763 397326110 /nfs/dbraw/zinc/32/61/10/397326110.db2.gz BADPCVPXUYUJAB-KBPBESRZSA-N 1 0 301.346 0.303 10 0 DCAERO CC[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C(=O)OC ZINC000602439157 397401319 /nfs/dbraw/zinc/40/13/19/397401319.db2.gz HDXCKDRGUHPBPW-IACUBPJLSA-N 1 0 308.378 0.987 10 0 DCAERO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000370431595 397484979 /nfs/dbraw/zinc/48/49/79/397484979.db2.gz WRDRJYSMIUHKDB-RYUDHWBXSA-N 1 0 307.398 0.972 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cncc3nncn32)CC1 ZINC000370611792 397509243 /nfs/dbraw/zinc/50/92/43/397509243.db2.gz DMTUJPBSUBMIMT-CQSZACIVSA-N 1 0 315.425 0.731 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000603594322 397617724 /nfs/dbraw/zinc/61/77/24/397617724.db2.gz PLQDHEVGTNDWEX-CYBMUJFWSA-N 1 0 306.414 0.331 10 0 DCAERO O=C(NCCCC1CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000605978236 397675989 /nfs/dbraw/zinc/67/59/89/397675989.db2.gz YJWXKYHZOHYFLU-INIZCTEOSA-N 1 0 324.469 0.882 10 0 DCAERO CS(=O)(=O)NCCCNC(=O)Nc1ccc2nccn2c1 ZINC000606582126 397683971 /nfs/dbraw/zinc/68/39/71/397683971.db2.gz DMUFKXAHEAQCNI-UHFFFAOYSA-N 1 0 311.367 0.395 10 0 DCAERO O=C(NCCN1C(=O)CCC1=O)Nc1ccc2nccn2c1 ZINC000606583438 397684104 /nfs/dbraw/zinc/68/41/04/397684104.db2.gz BDPNTYRQGMQDHK-UHFFFAOYSA-N 1 0 301.306 0.605 10 0 DCAERO COC1CCN(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000408288141 292163868 /nfs/dbraw/zinc/16/38/68/292163868.db2.gz VVEWPFCSWROEMU-ZDUSSCGKSA-N 1 0 313.442 0.994 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131680908 297096219 /nfs/dbraw/zinc/09/62/19/297096219.db2.gz FCGCSSCPSLYMLL-QLFBSQMISA-N 1 0 315.483 0.827 10 0 DCAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCS(=O)(=O)CC1 ZINC000225455855 304388638 /nfs/dbraw/zinc/38/86/38/304388638.db2.gz CZCQCVPNKBMDGT-AVGNSLFASA-N 1 0 300.424 0.554 10 0 DCAERO Cn1cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000057066565 158025353 /nfs/dbraw/zinc/02/53/53/158025353.db2.gz MVORSUJRLCRTNN-UHFFFAOYSA-N 1 0 305.426 0.520 10 0 DCAERO CC[C@@]1(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC[NH2+]C1 ZINC000062893312 158029557 /nfs/dbraw/zinc/02/95/57/158029557.db2.gz MGADSAZMUJJXHX-CQSZACIVSA-N 1 0 311.407 0.803 10 0 DCAERO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000061778590 158030281 /nfs/dbraw/zinc/03/02/81/158030281.db2.gz IRUSEHBRFFVFGJ-UHFFFAOYSA-N 1 0 311.426 0.424 10 0 DCAERO CCCC(=O)NCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000074139344 158057881 /nfs/dbraw/zinc/05/78/81/158057881.db2.gz ZUSIGKKXMJUOGO-UHFFFAOYSA-N 1 0 312.458 0.293 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000074229933 158058208 /nfs/dbraw/zinc/05/82/08/158058208.db2.gz SDGWNPJFJWPSQZ-CYBMUJFWSA-N 1 0 321.487 0.751 10 0 DCAERO COC(=O)CCNC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000077395686 158067298 /nfs/dbraw/zinc/06/72/98/158067298.db2.gz SNDUHDIVNQBNGY-UHFFFAOYSA-N 1 0 300.399 0.803 10 0 DCAERO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000079060043 158077809 /nfs/dbraw/zinc/07/78/09/158077809.db2.gz IQRNLHZBEYJILT-GFCCVEGCSA-N 1 0 306.410 0.629 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079490745 158079118 /nfs/dbraw/zinc/07/91/18/158079118.db2.gz 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158116603 /nfs/dbraw/zinc/11/66/03/158116603.db2.gz IVNMOMKMPPDDOJ-NWDGAFQWSA-N 1 0 308.444 0.176 10 0 DCAERO COC(=O)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701119 158120177 /nfs/dbraw/zinc/12/01/77/158120177.db2.gz KEVNMGYPTWFQSP-LBPRGKRZSA-N 1 0 318.439 0.543 10 0 DCAERO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000094728094 158122474 /nfs/dbraw/zinc/12/24/74/158122474.db2.gz KCKCQLWFWIACTG-NWDGAFQWSA-N 1 0 304.412 0.153 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000093990176 158123038 /nfs/dbraw/zinc/12/30/38/158123038.db2.gz ZTRPJEGWNQCDSO-NWDGAFQWSA-N 1 0 322.409 0.450 10 0 DCAERO O=C(CNC(=O)NCCCC[NH+]1CCOCC1)N1CCCC1 ZINC000097359728 158125594 /nfs/dbraw/zinc/12/55/94/158125594.db2.gz PXGWRDCWDXFRCT-UHFFFAOYSA-N 1 0 312.414 0.020 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)n1 ZINC000107304764 158134854 /nfs/dbraw/zinc/13/48/54/158134854.db2.gz BWALIRLYOJUSGL-CYBMUJFWSA-N 1 0 315.443 0.156 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000112741780 158143742 /nfs/dbraw/zinc/14/37/42/158143742.db2.gz CXPUQXCPQQEDOO-GFCCVEGCSA-N 1 0 304.398 0.519 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116429759 158165660 /nfs/dbraw/zinc/16/56/60/158165660.db2.gz FEGRBZXSWHTULO-KBPBESRZSA-N 1 0 314.474 0.983 10 0 DCAERO CC(C)CN(C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889630 158166752 /nfs/dbraw/zinc/16/67/52/158166752.db2.gz FPBSMSWWTJZXMZ-CYBMUJFWSA-N 1 0 319.471 0.503 10 0 DCAERO NC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837951 158179854 /nfs/dbraw/zinc/17/98/54/158179854.db2.gz DEHYSLJXXVIRQT-UHFFFAOYSA-N 1 0 301.350 0.937 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000119047884 158182578 /nfs/dbraw/zinc/18/25/78/158182578.db2.gz SBNDWWMKTMEVLY-WXRRBKDZSA-N 1 0 312.414 0.003 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO1 ZINC000120183826 158194506 /nfs/dbraw/zinc/19/45/06/158194506.db2.gz OBDJOQUFDYYWJH-LAJNKCICSA-N 1 0 319.471 0.506 10 0 DCAERO O=C1NCCCC[C@H]1[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000120325313 158197133 /nfs/dbraw/zinc/19/71/33/158197133.db2.gz FRGQCSDBBGHLPY-OAHLLOKOSA-N 1 0 306.410 0.724 10 0 DCAERO C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000120933428 158205484 /nfs/dbraw/zinc/20/54/84/158205484.db2.gz CEQNGHSJCWLWQS-HNNXBMFYSA-N 1 0 303.406 0.803 10 0 DCAERO Cc1ccccc1C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000123859555 158235816 /nfs/dbraw/zinc/23/58/16/158235816.db2.gz WKQCUZZNOCGLLP-INIZCTEOSA-N 1 0 307.394 0.154 10 0 DCAERO C[C@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1-n1cccn1 ZINC000124860410 158247514 /nfs/dbraw/zinc/24/75/14/158247514.db2.gz MLVWFADKEJUPAG-NSHDSACASA-N 1 0 301.350 0.124 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000125030415 158250783 /nfs/dbraw/zinc/25/07/83/158250783.db2.gz UHLVEVGNHOHKDE-HNNXBMFYSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)CCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000127667766 158275688 /nfs/dbraw/zinc/27/56/88/158275688.db2.gz KPPZRALCHWWVAE-UONOGXRCSA-N 1 0 311.426 0.567 10 0 DCAERO Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)CCO2)[nH]1 ZINC000129310760 158286955 /nfs/dbraw/zinc/28/69/55/158286955.db2.gz NVKGDYUZLWXZIZ-AGIUHOORSA-N 1 0 322.413 0.679 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000129597283 158289703 /nfs/dbraw/zinc/28/97/03/158289703.db2.gz SZFBNIRZCPJQJH-ZNMIVQPWSA-N 1 0 321.425 0.776 10 0 DCAERO CCNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000131139403 158300600 /nfs/dbraw/zinc/30/06/00/158300600.db2.gz NWZZUTGBNZBMLU-GFCCVEGCSA-N 1 0 314.430 0.121 10 0 DCAERO CCS(=O)(=O)NCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000132116646 158307783 /nfs/dbraw/zinc/30/77/83/158307783.db2.gz WXXWUKXAOBPLIV-UHFFFAOYSA-N 1 0 314.455 0.929 10 0 DCAERO CS[C@@H]1CCCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000134561954 158328844 /nfs/dbraw/zinc/32/88/44/158328844.db2.gz CSQKGSPOILZFOI-QWHCGFSZSA-N 1 0 313.467 0.928 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000170865616 158377032 /nfs/dbraw/zinc/37/70/32/158377032.db2.gz AEKLUZWJMXAJCC-GFCCVEGCSA-N 1 0 302.440 0.896 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171038367 158379443 /nfs/dbraw/zinc/37/94/43/158379443.db2.gz JMMCXAOAMOVIFY-DGCLKSJQSA-N 1 0 308.430 0.931 10 0 DCAERO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171650431 158385111 /nfs/dbraw/zinc/38/51/11/158385111.db2.gz QEGBLFSLWNXFNZ-UONOGXRCSA-N 1 0 308.426 0.877 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)n(C)c1=O ZINC000187766122 158540216 /nfs/dbraw/zinc/54/02/16/158540216.db2.gz QHMKLRSBJDZSED-UONOGXRCSA-N 1 0 317.393 0.554 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCCN(CCOC)C(=O)C1 ZINC000188396117 158544342 /nfs/dbraw/zinc/54/43/42/158544342.db2.gz RJOUBDSESDTGTB-UHFFFAOYSA-N 1 0 314.430 0.219 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000189767555 158554865 /nfs/dbraw/zinc/55/48/65/158554865.db2.gz QPXGROJAPAVHGG-MCIONIFRSA-N 1 0 314.451 0.959 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000261641769 158725190 /nfs/dbraw/zinc/72/51/90/158725190.db2.gz DJFDKUMUQCWRBJ-QMMMGPOBSA-N 1 0 318.370 0.807 10 0 DCAERO Cn1nc(CC(=O)N2CC[C@](C)(C[NH3+])C2)c2ccccc2c1=O ZINC000262006320 158763563 /nfs/dbraw/zinc/76/35/63/158763563.db2.gz NUXXYDRRGOAVRO-QGZVFWFLSA-N 1 0 314.389 0.673 10 0 DCAERO CCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000262138267 158776749 /nfs/dbraw/zinc/77/67/49/158776749.db2.gz DRMOURGZVKUBOT-CYBMUJFWSA-N 1 0 320.393 0.487 10 0 DCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000262148496 158779400 /nfs/dbraw/zinc/77/94/00/158779400.db2.gz HPKZBWRGZMCSBQ-QWRGUYRKSA-N 1 0 310.350 0.023 10 0 DCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000262231808 158788673 /nfs/dbraw/zinc/78/86/73/158788673.db2.gz GWYVEJBXHMODHX-AWEZNQCLSA-N 1 0 303.366 0.855 10 0 DCAERO CC1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cn2)CC1 ZINC000262250100 158790373 /nfs/dbraw/zinc/79/03/73/158790373.db2.gz LNNGFDIFPGCUGA-CABCVRRESA-N 1 0 318.421 0.628 10 0 DCAERO Cc1ccc(NC(=O)N(C)C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262323918 158798158 /nfs/dbraw/zinc/79/81/58/158798158.db2.gz RPNZPOMTRKDRMP-FZMZJTMJSA-N 1 0 320.393 0.399 10 0 DCAERO O=C(COc1ccc(C(F)(F)F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262329040 158798205 /nfs/dbraw/zinc/79/82/05/158798205.db2.gz SCTWYIGOBNTNEN-SKDRFNHKSA-N 1 0 318.295 0.781 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262834142 158844465 /nfs/dbraw/zinc/84/44/65/158844465.db2.gz SIZHHBFKGGJODT-ZDUSSCGKSA-N 1 0 321.425 0.700 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3cnnn3)c2)n1 ZINC000263297451 158870221 /nfs/dbraw/zinc/87/02/21/158870221.db2.gz WONLMZMVKPOROV-GFCCVEGCSA-N 1 0 312.337 0.288 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000323374266 159012190 /nfs/dbraw/zinc/01/21/90/159012190.db2.gz FIZFAYAPPUBWKC-KEYYUXOJSA-N 1 0 323.437 0.480 10 0 DCAERO O=C(Cn1ncc(=O)c2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328635258 159016885 /nfs/dbraw/zinc/01/68/85/159016885.db2.gz BZULKMQJCQKUJL-CYBMUJFWSA-N 1 0 312.373 0.703 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328723007 159024198 /nfs/dbraw/zinc/02/41/98/159024198.db2.gz SFCWNHPBZIIHCF-GDBMZVCRSA-N 1 0 318.421 0.523 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccon3)[C@H]2C1 ZINC000328838137 159033080 /nfs/dbraw/zinc/03/30/80/159033080.db2.gz NHXAYZBJBIDEPC-QWHCGFSZSA-N 1 0 315.395 0.299 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)C[C@@H]3CCCO3)[C@H]2C1 ZINC000328870583 159036250 /nfs/dbraw/zinc/03/62/50/159036250.db2.gz YCIMZYTVDZDONJ-MELADBBJSA-N 1 0 318.439 0.290 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCCCC3)[C@H]2C1 ZINC000328866221 159036322 /nfs/dbraw/zinc/03/63/22/159036322.db2.gz WPJZWUIWXPTDSE-UONOGXRCSA-N 1 0 317.455 0.512 10 0 DCAERO Cn1nccc1[C@H]1[C@H]([NH2+]C[C@@H]2CCOC2)CC(=O)N1C1CC1 ZINC000328934533 159044234 /nfs/dbraw/zinc/04/42/34/159044234.db2.gz FGVATEAXMNSDBJ-NORZTCDRSA-N 1 0 304.394 0.851 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCN1C1CC[NH+](C)CC1 ZINC000329083962 159060529 /nfs/dbraw/zinc/06/05/29/159060529.db2.gz FMDNWSJENLCWCY-UONOGXRCSA-N 1 0 322.453 0.980 10 0 DCAERO Cc1ccnc2nc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)nn21 ZINC000329409715 159089638 /nfs/dbraw/zinc/08/96/38/159089638.db2.gz BPMJGYDKLVNGQS-GFCCVEGCSA-N 1 0 300.366 0.599 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)nc2n1 ZINC000329442272 159093698 /nfs/dbraw/zinc/09/36/98/159093698.db2.gz KJLPHKRTWWXGCV-ZDUSSCGKSA-N 1 0 314.393 0.907 10 0 DCAERO C[C@H]1OCCC[C@@H]1c1nc(CC(=O)N2CCN(C)CC2)no1 ZINC000329674317 159110990 /nfs/dbraw/zinc/11/09/90/159110990.db2.gz OLZUPPFVCZTFHG-NEPJUHHUSA-N 1 0 308.382 0.669 10 0 DCAERO Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c([C@@H]2CCOC2)n1 ZINC000329885161 159126110 /nfs/dbraw/zinc/12/61/10/159126110.db2.gz UFBAXVSAZYKDPQ-KWCYVHTRSA-N 1 0 320.393 0.079 10 0 DCAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCO[C@H]3C3CC3)C2=O)n(C)n1 ZINC000330273281 159156354 /nfs/dbraw/zinc/15/63/54/159156354.db2.gz YYALZHVTYGCMRA-YDHLFZDLSA-N 1 0 304.394 0.991 10 0 DCAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCO[C@H]3C3CC3)C2=O)n(C)n1 ZINC000330273278 159156401 /nfs/dbraw/zinc/15/64/01/159156401.db2.gz YYALZHVTYGCMRA-IPYPFGDCSA-N 1 0 304.394 0.991 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330290359 159156668 /nfs/dbraw/zinc/15/66/68/159156668.db2.gz CJCJBWZZAGUIKI-CZUORRHYSA-N 1 0 323.437 0.709 10 0 DCAERO CNC(=O)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000332828797 159214649 /nfs/dbraw/zinc/21/46/49/159214649.db2.gz LNYFADKEVVSGCW-WTUNAVPPSA-N 1 0 324.425 0.158 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c(C)s1 ZINC000366977692 159301602 /nfs/dbraw/zinc/30/16/02/159301602.db2.gz VOSWIOCBAYOVKH-MNOVXSKESA-N 1 0 302.421 0.726 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCc3c[nH]nc32)CC1(C)C ZINC000367029370 159306580 /nfs/dbraw/zinc/30/65/80/159306580.db2.gz ITTDHPYLJVAPRA-CQSZACIVSA-N 1 0 319.453 0.972 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000407992010 160005345 /nfs/dbraw/zinc/00/53/45/160005345.db2.gz QKSNDMDYKGULQV-LBPRGKRZSA-N 1 0 307.398 0.660 10 0 DCAERO COCCCCS(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408015774 160011432 /nfs/dbraw/zinc/01/14/32/160011432.db2.gz FKNRNMDBTHLCTB-CHWSQXEVSA-N 1 0 306.428 0.148 10 0 DCAERO CN(C(=O)N1CCC([NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000408016907 160011960 /nfs/dbraw/zinc/01/19/60/160011960.db2.gz JQAXOLJSLUXVJT-LBPRGKRZSA-N 1 0 303.428 0.251 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)CC(C)(C)C)[C@H]2C1 ZINC000408040229 160019731 /nfs/dbraw/zinc/01/97/31/160019731.db2.gz FPTREKZMBRCYBG-STQMWFEESA-N 1 0 311.426 0.470 10 0 DCAERO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c[nH]1 ZINC000408069497 160028380 /nfs/dbraw/zinc/02/83/80/160028380.db2.gz BVUWMOFSQWCLCW-QWHCGFSZSA-N 1 0 307.350 0.346 10 0 DCAERO 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/nfs/dbraw/zinc/06/68/16/160066816.db2.gz RIJWVCHQYRRVIN-QWHCGFSZSA-N 1 0 319.471 0.804 10 0 DCAERO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408308816 160082364 /nfs/dbraw/zinc/08/23/64/160082364.db2.gz WSUMVBJALDNQPO-NEPJUHHUSA-N 1 0 322.413 0.605 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000408427580 160105810 /nfs/dbraw/zinc/10/58/10/160105810.db2.gz PNUBRHVVUFBJHG-VOQNDKQCSA-N 1 0 301.456 0.927 10 0 DCAERO Cc1oc(C(=O)N2CCN(C)C[C@H]2C)cc1S(N)(=O)=O ZINC000408445891 160109506 /nfs/dbraw/zinc/10/95/06/160109506.db2.gz CZVYEXRVJOBABA-MRVPVSSYSA-N 1 0 301.368 0.012 10 0 DCAERO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)N1CCOCC1 ZINC000078714906 286994033 /nfs/dbraw/zinc/99/40/33/286994033.db2.gz BXFBEBPBHMMDHU-KGLIPLIRSA-N 1 0 311.426 0.614 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCNC(=O)C2CC2)CC1 ZINC000131511312 287001024 /nfs/dbraw/zinc/00/10/24/287001024.db2.gz IYCCRQADGHFWKE-AWEZNQCLSA-N 1 0 311.426 0.208 10 0 DCAERO 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/nfs/dbraw/zinc/07/80/76/416078076.db2.gz WYMHIMBMWQKWRL-HNNXBMFYSA-N 1 0 316.405 0.894 10 0 DCAERO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)C1CC1 ZINC000159131077 416006565 /nfs/dbraw/zinc/00/65/65/416006565.db2.gz ALWLMSYSUXOZSK-CABCVRRESA-N 1 0 316.405 0.930 10 0 DCAERO Cc1nc(CN2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)no1 ZINC000168383674 416024334 /nfs/dbraw/zinc/02/43/34/416024334.db2.gz BRVWZZYHGIVSEF-QWHCGFSZSA-N 1 0 307.398 0.540 10 0 DCAERO COC(=O)c1ccc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nn1 ZINC000301293422 416079412 /nfs/dbraw/zinc/07/94/12/416079412.db2.gz QMZFKNDRIBIDAZ-GFCCVEGCSA-N 1 0 304.354 0.712 10 0 DCAERO Cc1nc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n[nH]1 ZINC000171549409 416040090 /nfs/dbraw/zinc/04/00/90/416040090.db2.gz MJNRGAUSTGTAFC-UHFFFAOYSA-N 1 0 314.393 0.869 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000174849966 416088120 /nfs/dbraw/zinc/08/81/20/416088120.db2.gz ZUOOCALYWRSWKR-WDEREUQCSA-N 1 0 308.382 0.012 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000174943337 416092860 /nfs/dbraw/zinc/09/28/60/416092860.db2.gz QJPIWRVMDDYZBX-KBPBESRZSA-N 1 0 306.410 0.651 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccccn1 ZINC000175010046 416093521 /nfs/dbraw/zinc/09/35/21/416093521.db2.gz IILPJSSUCAJQHJ-UONOGXRCSA-N 1 0 316.405 0.897 10 0 DCAERO C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)N1CCOCC1 ZINC000175006859 416094813 /nfs/dbraw/zinc/09/48/13/416094813.db2.gz GVWRAAVLRWCEAZ-DOMZBBRYSA-N 1 0 311.382 0.507 10 0 DCAERO Cc1csc(NC(=O)CN2CCC([N@H+](C)CCO)CC2)n1 ZINC000357629683 416108136 /nfs/dbraw/zinc/10/81/36/416108136.db2.gz SQCMJSUVRWTORS-UHFFFAOYSA-N 1 0 312.439 0.779 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1ccc(F)cc1 ZINC000313697536 416109995 /nfs/dbraw/zinc/10/99/95/416109995.db2.gz RUVIVVYJHGRALZ-CYBMUJFWSA-N 1 0 302.371 0.276 10 0 DCAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C(F)(F)F)nn1 ZINC000328607706 416122820 /nfs/dbraw/zinc/12/28/20/416122820.db2.gz 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/nfs/dbraw/zinc/26/79/02/416267902.db2.gz ABLLGJAPMZDHMG-UONOGXRCSA-N 1 0 304.456 0.895 10 0 DCAERO CN(C)c1noc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000192715850 416309915 /nfs/dbraw/zinc/30/99/15/416309915.db2.gz NCYCDZNFPOLZML-CQSZACIVSA-N 1 0 322.457 0.738 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCCn2cc(CO)nn2)CC1 ZINC000359194427 416311720 /nfs/dbraw/zinc/31/17/20/416311720.db2.gz LNGPAZPBFJISFL-UHFFFAOYSA-N 1 0 322.413 0.112 10 0 DCAERO CN1CCO[C@H](CNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191918934 416291090 /nfs/dbraw/zinc/29/10/90/416291090.db2.gz BQRUIFKOTSJJQL-CYBMUJFWSA-N 1 0 324.402 0.670 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247183097 416332491 /nfs/dbraw/zinc/33/24/91/416332491.db2.gz NTNLKPZWPNGRJN-KKUMJFAQSA-N 1 0 315.458 0.305 10 0 DCAERO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000248393206 416333452 /nfs/dbraw/zinc/33/34/52/416333452.db2.gz DOQNODPCMMVGEI-UKRRQHHQSA-N 1 0 318.421 0.886 10 0 DCAERO 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/nfs/dbraw/zinc/50/47/16/416504716.db2.gz RWFRPAHFTCAEMH-UHFFFAOYSA-N 1 0 309.414 0.938 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)Nc2nc3ccccn3n2)CC1 ZINC000547287810 416677704 /nfs/dbraw/zinc/67/77/04/416677704.db2.gz UQFVIALNWOWSRO-UHFFFAOYSA-N 1 0 300.366 1.503 10 0 DCAERO CC(C)c1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)no1 ZINC000441970586 416684256 /nfs/dbraw/zinc/68/42/56/416684256.db2.gz ATNXIXIOPOYZDY-UHFFFAOYSA-N 1 0 317.349 0.782 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846986 416653673 /nfs/dbraw/zinc/65/36/73/416653673.db2.gz OAERNPFDGQYRFR-PBHICJAKSA-N 1 0 322.453 0.093 10 0 DCAERO COCCN(CC[NH+](C)C)C(=O)NCCc1cccc(OC)n1 ZINC000441438884 416672223 /nfs/dbraw/zinc/67/22/23/416672223.db2.gz UIZKXLHULNPKDK-UHFFFAOYSA-N 1 0 324.425 0.852 10 0 DCAERO CC(C)OCC[NH+]1CCC(NC(=O)N(C)CCCO)CC1 ZINC000442129979 416687809 /nfs/dbraw/zinc/68/78/09/416687809.db2.gz ZOOQYANDDDJFQY-UHFFFAOYSA-N 1 0 301.431 0.900 10 0 DCAERO COCC1(CNC(=O)[C@H]2CCc3cnn(C)c3C2)CC[NH2+]CC1 ZINC000515054346 416689035 /nfs/dbraw/zinc/68/90/35/416689035.db2.gz SUSAACOJWOGKRE-ZDUSSCGKSA-N 1 0 320.437 0.657 10 0 DCAERO OCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc4nccn4n3)C2)o1 ZINC000548678039 416690521 /nfs/dbraw/zinc/69/05/21/416690521.db2.gz XWTCSAUNZLNWPA-GFCCVEGCSA-N 1 0 313.361 1.501 10 0 DCAERO C[NH+](C)C[C@@H](CO)NC(=O)c1nscc1Br ZINC000614858881 416716637 /nfs/dbraw/zinc/71/66/37/416716637.db2.gz TYPFRQGKSSZGCA-LURJTMIESA-N 1 0 308.201 0.558 10 0 DCAERO Cc1cc(CCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)on1 ZINC000557925330 416757197 /nfs/dbraw/zinc/75/71/97/416757197.db2.gz IELDTQNJPTXEHI-CYBMUJFWSA-N 1 0 309.414 0.461 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000517057600 416776169 /nfs/dbraw/zinc/77/61/69/416776169.db2.gz QLOAENXXLVQHTC-XJFOESAGSA-N 1 0 321.421 0.223 10 0 DCAERO C[NH+](C)CCN1CCCN(C(=O)[C@H](O)c2cccnc2)CC1 ZINC000370065888 416880977 /nfs/dbraw/zinc/88/09/77/416880977.db2.gz PMFVSHJQFAELQQ-OAHLLOKOSA-N 1 0 306.410 0.211 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000369807157 416831972 /nfs/dbraw/zinc/83/19/72/416831972.db2.gz AKRUEBNPJZTNDM-STQMWFEESA-N 1 0 312.414 0.017 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000631975870 416844464 /nfs/dbraw/zinc/84/44/64/416844464.db2.gz LRIGLAIBGXEJEE-WNGYAQOMSA-N 1 0 305.444 0.448 10 0 DCAERO c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(N2CCOCC2)n1 ZINC000373672824 416960646 /nfs/dbraw/zinc/96/06/46/416960646.db2.gz JGXGZBRQHALUNE-ZIAGYGMSSA-N 1 0 319.409 0.588 10 0 DCAERO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000445790562 416898982 /nfs/dbraw/zinc/89/89/82/416898982.db2.gz NFHCCZAIYLYLJR-NWDGAFQWSA-N 1 0 319.361 0.988 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Cl)cc1OC ZINC000624394891 417026971 /nfs/dbraw/zinc/02/69/71/417026971.db2.gz VSRDAEUJPQGDQD-UHFFFAOYSA-N 1 0 322.814 0.863 10 0 DCAERO CC(=O)CCCCCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632416138 417075366 /nfs/dbraw/zinc/07/53/66/417075366.db2.gz LLPZQWWVGGMEQP-CYBMUJFWSA-N 1 0 306.428 0.386 10 0 DCAERO Cc1nn(C)cc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000448604644 417086855 /nfs/dbraw/zinc/08/68/55/417086855.db2.gz NJKSZQKQGHGVNP-HNNXBMFYSA-N 1 0 308.426 0.744 10 0 DCAERO O=C(N[C@H]1CCc2ccccc2C1)C(=O)N1CCC[NH2+]CC1 ZINC000385927938 417090652 /nfs/dbraw/zinc/09/06/52/417090652.db2.gz ZQNYMLIUTIAORN-HNNXBMFYSA-N 1 0 301.390 0.482 10 0 DCAERO O[C@H](COCc1ccccc1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405338323 417124062 /nfs/dbraw/zinc/12/40/62/417124062.db2.gz GQFCUPJRHYYOPJ-BBWFWOEESA-N 1 0 306.406 0.315 10 0 DCAERO NC(=O)C[C@@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408454458 417163387 /nfs/dbraw/zinc/16/33/87/417163387.db2.gz XSTIYEUFSABIQT-KBPBESRZSA-N 1 0 309.410 0.496 10 0 DCAERO CC(C)(C)[C@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453368 417164314 /nfs/dbraw/zinc/16/43/14/417164314.db2.gz UCIIAZAPMMEKPD-QWHCGFSZSA-N 1 0 311.426 0.457 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)CC12COC2 ZINC000451133550 417303471 /nfs/dbraw/zinc/30/34/71/417303471.db2.gz JRZAPCNCWKYPAA-ZIAGYGMSSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC12COC2 ZINC000451136387 417305946 /nfs/dbraw/zinc/30/59/46/417305946.db2.gz NPDFRTYJUNRNPL-ZJUUUORDSA-N 1 0 311.300 0.811 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COC(C)C)CC12COC2 ZINC000451135464 417306855 /nfs/dbraw/zinc/30/68/55/417306855.db2.gz MNLBTFMVMWLPCM-STQMWFEESA-N 1 0 301.383 0.284 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CCOC(C)C)CC12COC2 ZINC000451136397 417307800 /nfs/dbraw/zinc/30/78/00/417307800.db2.gz NRFQOBQOWLYJEI-KBPBESRZSA-N 1 0 315.410 0.674 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@](C)(O)COC)CC1 ZINC000570896109 417402640 /nfs/dbraw/zinc/40/26/40/417402640.db2.gz CYGYQCZIFNSLDU-HNNXBMFYSA-N 1 0 301.431 0.805 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000633410486 417424075 /nfs/dbraw/zinc/42/40/75/417424075.db2.gz NZKNORGYBLNHJM-MRXNPFEDSA-N 1 0 323.437 0.711 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000452615225 417493810 /nfs/dbraw/zinc/49/38/10/417493810.db2.gz QQEDQWCYXAMRLJ-KBPBESRZSA-N 1 0 324.421 0.899 10 0 DCAERO CN(C)c1ncccc1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000644324055 417536803 /nfs/dbraw/zinc/53/68/03/417536803.db2.gz PBYKPCCPMCCNLP-GFCCVEGCSA-N 1 0 306.366 0.460 10 0 DCAERO Cn1cnn(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1=O ZINC000576100265 417579511 /nfs/dbraw/zinc/57/95/11/417579511.db2.gz DLGPFVJVRXAMPS-UHFFFAOYSA-N 1 0 305.313 0.005 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1COCCN1 ZINC000638833723 417566571 /nfs/dbraw/zinc/56/65/71/417566571.db2.gz BMYVCUDAFOQFAH-PVAVHDDUSA-N 1 0 317.433 0.859 10 0 DCAERO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000532628394 417685727 /nfs/dbraw/zinc/68/57/27/417685727.db2.gz RBSCOIKEZZTYOB-HUUCEWRRSA-N 1 0 315.410 0.424 10 0 DCAERO OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000532098137 417661236 /nfs/dbraw/zinc/66/12/36/417661236.db2.gz 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261126177 /nfs/dbraw/zinc/12/61/77/261126177.db2.gz HDXJBMAYHNOZIT-IUODEOHRSA-N 1 0 310.398 0.477 10 0 DCAERO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000358560451 271057874 /nfs/dbraw/zinc/05/78/74/271057874.db2.gz LXNSBCOWSLDITE-ZIAGYGMSSA-N 1 0 311.426 0.329 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488727001 272048678 /nfs/dbraw/zinc/04/86/78/272048678.db2.gz DBJIUUCQTISKDP-GXTWGEPZSA-N 1 0 312.410 0.491 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2cncc(O)c2)C[C@H]1C ZINC000492519248 272133120 /nfs/dbraw/zinc/13/31/20/272133120.db2.gz JFXDTEGDEFDFKJ-JXLSXLBDSA-N 1 0 305.378 0.714 10 0 DCAERO CN(C(=O)N[C@@H]1CCOc2ccc(F)cc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333659579 276729258 /nfs/dbraw/zinc/72/92/58/276729258.db2.gz WVXCNEICMVBROS-AGIUHOORSA-N 1 0 309.341 0.623 10 0 DCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000091765799 276797149 /nfs/dbraw/zinc/79/71/49/276797149.db2.gz NOQOCYZXJWVNIJ-KBPBESRZSA-N 1 0 318.425 0.791 10 0 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/nfs/dbraw/zinc/33/22/25/277332225.db2.gz IYKRHYZDOOONQK-RYUDHWBXSA-N 1 0 323.397 0.906 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000131030578 277391024 /nfs/dbraw/zinc/39/10/24/277391024.db2.gz AQYZJNDOLDGYPM-AWEZNQCLSA-N 1 0 310.442 0.886 10 0 DCAERO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](C[NH3+])C1 ZINC000261927725 277745160 /nfs/dbraw/zinc/74/51/60/277745160.db2.gz ZPWGQSQFJIUOQO-OUAUKWLOSA-N 1 0 321.343 0.983 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000246385827 278019900 /nfs/dbraw/zinc/01/99/00/278019900.db2.gz RZSKFEKVZYILLV-IJEWVQPXSA-N 1 0 322.453 0.728 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000333467193 278068679 /nfs/dbraw/zinc/06/86/79/278068679.db2.gz QNWKZXXULIYERU-FXUDXRNXSA-N 1 0 323.437 0.442 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333134797 278098349 /nfs/dbraw/zinc/09/83/49/278098349.db2.gz 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ZINC000262119351 279373195 /nfs/dbraw/zinc/37/31/95/279373195.db2.gz KMPCCQVTVRPBJV-ILXRZTDVSA-N 1 0 305.426 0.802 10 0 DCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000262004074 279582013 /nfs/dbraw/zinc/58/20/13/279582013.db2.gz VCHABXRQKUKJKP-CFVMTHIKSA-N 1 0 301.390 0.943 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCN(C(C)=O)CC1 ZINC000246214862 281199021 /nfs/dbraw/zinc/19/90/21/281199021.db2.gz CQJCSHMTTOQNHF-HOTGVXAUSA-N 1 0 322.453 0.236 10 0 DCAERO Cn1cc(OCC(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000554529717 288326565 /nfs/dbraw/zinc/32/65/65/288326565.db2.gz GVAZMQDRLMBCRI-YUELXQCFSA-N 1 0 322.409 0.509 10 0 DCAERO Cn1cc(OCC(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000554548216 288328002 /nfs/dbraw/zinc/32/80/02/288328002.db2.gz OLUIXWAVLZGIQG-UHFFFAOYSA-N 1 0 314.389 0.973 10 0 DCAERO CO[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000555913787 288365572 /nfs/dbraw/zinc/36/55/72/288365572.db2.gz KZLCVTYREPJNBJ-OAHLLOKOSA-N 1 0 321.421 0.900 10 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332887829 /nfs/dbraw/zinc/88/78/29/332887829.db2.gz ZNZSZDXXQHOHIF-CYBMUJFWSA-N 1 0 312.414 0.953 10 0 DCAERO NC(=O)c1coc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000187984345 333007277 /nfs/dbraw/zinc/00/72/77/333007277.db2.gz ZKGJMEFQBWRRNF-UHFFFAOYSA-N 1 0 306.366 0.616 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1 ZINC000584633676 337377543 /nfs/dbraw/zinc/37/75/43/337377543.db2.gz FXMRXUVPTGFQJY-STQMWFEESA-N 1 0 324.381 0.675 10 0 DCAERO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H](C)CO ZINC000175800520 341846696 /nfs/dbraw/zinc/84/66/96/341846696.db2.gz GJNSLJSEYWPTAV-CHWSQXEVSA-N 1 0 300.447 0.329 10 0 DCAERO C[NH+](C)CCOc1cc(CNC(=O)N2CC(CO)C2)ccn1 ZINC000189712542 521799850 /nfs/dbraw/zinc/79/98/50/521799850.db2.gz PUYUYCAUJMCUAR-UHFFFAOYSA-N 1 0 308.382 0.156 10 0 DCAERO C[NH+](C)CCOc1cccc(CNC(=O)N2CC(CO)C2)c1 ZINC000190903431 521803595 /nfs/dbraw/zinc/80/35/95/521803595.db2.gz DIEDRBBMEGMBAA-UHFFFAOYSA-N 1 0 307.394 0.761 10 0 DCAERO 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/nfs/dbraw/zinc/06/97/82/526069782.db2.gz HHUSYGAVGLHEAU-TZMCWYRMSA-N 1 0 307.398 0.599 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cnn2c1CCCC2 ZINC000128334469 526483779 /nfs/dbraw/zinc/48/37/79/526483779.db2.gz SFLBTOJDNSDNDI-CYBMUJFWSA-N 1 0 306.410 0.796 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248046713 526962365 /nfs/dbraw/zinc/96/23/65/526962365.db2.gz VGOFPZWHXKOCLF-JKIFEVAISA-N 1 0 323.437 0.337 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1=O ZINC000267561274 527078432 /nfs/dbraw/zinc/07/84/32/527078432.db2.gz FOCSKQLIAPAZOI-UHFFFAOYSA-N 1 0 308.382 0.479 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365017658 527649208 /nfs/dbraw/zinc/64/92/08/527649208.db2.gz XBBRRFMAZKXITH-SGFLJFKBSA-N 1 0 317.389 0.858 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCN2CCOCC2)C1 ZINC000246727392 529098679 /nfs/dbraw/zinc/09/86/79/529098679.db2.gz AKVQMRMGEGONIM-LSDHHAIUSA-N 1 0 312.458 0.737 10 0 DCAERO 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NJJUDWTWPSFSMI-FRRDWIJNSA-N 1 0 304.456 0.556 10 0 DCAERO c1nn(-c2ccccc2)nc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261810723 661715508 /nfs/dbraw/zinc/71/55/08/661715508.db2.gz GLGUMDFQLNNINH-QGZVFWFLSA-N 1 0 312.421 0.747 10 0 DCAERO C[NH2+]CCC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000262130575 662101271 /nfs/dbraw/zinc/10/12/71/662101271.db2.gz WSWPLUGKVXKCQJ-UHFFFAOYSA-N 1 0 310.398 0.165 10 0 DCAERO C#CCNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204287 662133059 /nfs/dbraw/zinc/13/30/59/662133059.db2.gz CPMHUOOSMOAEHV-AWEZNQCLSA-N 1 0 314.389 0.790 10 0 DCAERO C[NH+](C)CCN1CCN(C(=S)NCCc2cccnc2)CC1 ZINC000727694296 662226043 /nfs/dbraw/zinc/22/60/43/662226043.db2.gz UPPSUCCECFXUAQ-UHFFFAOYSA-N 1 0 321.494 0.678 10 0 DCAERO CCc1nc(CCNC(=O)C2C[NH+](C3CCOCC3)C2)no1 ZINC000896190342 662249476 /nfs/dbraw/zinc/24/94/76/662249476.db2.gz WBJPPPVVIWOFOL-UHFFFAOYSA-N 1 0 308.382 0.402 10 0 DCAERO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262398963 662365217 /nfs/dbraw/zinc/36/52/17/662365217.db2.gz YKPUQIPXVGGIRB-BXUZGUMPSA-N 1 0 319.405 0.981 10 0 DCAERO O=C(NCCCOc1cccc2cccnc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262423253 662378276 /nfs/dbraw/zinc/37/82/76/662378276.db2.gz AWTGBGBLGPVCFD-KGLIPLIRSA-N 1 0 315.373 0.843 10 0 DCAERO Cn1ccnc1-c1cc(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]n1 ZINC000897088630 662389379 /nfs/dbraw/zinc/38/93/79/662389379.db2.gz QTHNZJMJBQMAEA-CMPLNLGQSA-N 1 0 316.365 0.612 10 0 DCAERO C[NH2+]CC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000237293550 662446588 /nfs/dbraw/zinc/44/65/88/662446588.db2.gz UOBPTYIZRZLQIG-UHFFFAOYSA-N 1 0 301.343 0.524 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCS(=O)(=O)C1 ZINC000721254184 662906730 /nfs/dbraw/zinc/90/67/30/662906730.db2.gz HHRQVPYDZMQJLL-NMKXLXIOSA-N 1 0 303.424 0.593 10 0 DCAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000900603250 663260100 /nfs/dbraw/zinc/26/01/00/663260100.db2.gz MUINZCSAQIIFEE-IIAWOOMASA-N 1 0 306.410 0.810 10 0 DCAERO 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/nfs/dbraw/zinc/56/11/20/664561120.db2.gz IBHUITSNDPTGJR-AWEZNQCLSA-N 1 0 304.394 0.544 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCO1 ZINC000152990519 664787103 /nfs/dbraw/zinc/78/71/03/664787103.db2.gz TYEQWUSZIPONRE-CQSZACIVSA-N 1 0 318.377 0.723 10 0 DCAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000261543402 665399431 /nfs/dbraw/zinc/39/94/31/665399431.db2.gz HRMYWUPUZOBLAR-JKSUJKDBSA-N 1 0 303.406 0.756 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449697981 666504658 /nfs/dbraw/zinc/50/46/58/666504658.db2.gz MQBSUJUHADVKLT-BFHYXJOUSA-N 1 0 311.451 0.756 10 0 DCAERO CCN(CC(=O)NC)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702358184 666940598 /nfs/dbraw/zinc/94/05/98/666940598.db2.gz QOSKLUFYEDXPFJ-AWEZNQCLSA-N 1 0 306.410 0.040 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000702355619 666940973 /nfs/dbraw/zinc/94/09/73/666940973.db2.gz HZDSMPKYFMKFAT-NWDGAFQWSA-N 1 0 319.327 0.485 10 0 DCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000705070260 667274871 /nfs/dbraw/zinc/27/48/71/667274871.db2.gz GCHVXCGUQOJLDS-TYNCELHUSA-N 1 0 302.415 0.965 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCS(=O)(=O)CC ZINC000120564203 667326885 /nfs/dbraw/zinc/32/68/85/667326885.db2.gz BKVOABBQNYFVEN-GFCCVEGCSA-N 1 0 307.460 0.793 10 0 DCAERO C[C@]1(C(F)(F)F)CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000709552248 667445149 /nfs/dbraw/zinc/44/51/49/667445149.db2.gz ZBCIQKAOGYNHMQ-ZJUUUORDSA-N 1 0 316.345 0.579 10 0 DCAERO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000709856779 667445987 /nfs/dbraw/zinc/44/59/87/667445987.db2.gz XMYPMHFTEKBCAS-HTQZYQBOSA-N 1 0 316.345 0.405 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000886075688 667729115 /nfs/dbraw/zinc/72/91/15/667729115.db2.gz WQNFOINPDBZGMP-WZRBSPASSA-N 1 0 306.366 0.554 10 0 DCAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)ccn1 ZINC000886095420 667731349 /nfs/dbraw/zinc/73/13/49/667731349.db2.gz VVDKTPMOKDOZJF-CYBMUJFWSA-N 1 0 316.365 0.555 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000136763068 667733707 /nfs/dbraw/zinc/73/37/07/667733707.db2.gz BSKLREMSRXKHTR-UHFFFAOYSA-N 1 0 324.425 0.195 10 0 DCAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000124917392 668161681 /nfs/dbraw/zinc/16/16/81/668161681.db2.gz RJRDPXOSMKZFJC-KGLIPLIRSA-N 1 0 301.408 0.730 10 0 DCAERO COC(=O)CC[N@H+](CC(=O)NC(C)(C)C)C1CCOCC1 ZINC000076144874 670102577 /nfs/dbraw/zinc/10/25/77/670102577.db2.gz WPSCFPFVCBYUBG-UHFFFAOYSA-N 1 0 300.399 0.945 10 0 DCAERO Cn1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c(Br)n1 ZINC000714087569 670177578 /nfs/dbraw/zinc/17/75/78/670177578.db2.gz QBXJSDWUEHKFNY-WDEREUQCSA-N 1 0 315.215 0.745 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)C12CC[NH+](CC1)C2 ZINC000715861761 670224147 /nfs/dbraw/zinc/22/41/47/670224147.db2.gz FFGHXJKUERXSRQ-UHFFFAOYSA-N 1 0 313.199 0.895 10 0 DCAERO CS(=O)(=O)C1CC([NH2+]CCn2cc(Br)cn2)C1 ZINC000716141240 670228619 /nfs/dbraw/zinc/22/86/19/670228619.db2.gz HYHFQDNVOUVHTM-UHFFFAOYSA-N 1 0 322.228 0.811 10 0 DCAERO Cc1nn(C)c(C[NH2+]C2CC(C(N)=O)C2)c1Br ZINC000716768899 670272309 /nfs/dbraw/zinc/27/23/09/670272309.db2.gz HRDHTCMPIZZGEQ-UHFFFAOYSA-N 1 0 301.188 0.845 10 0 DCAERO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000193398243 670278318 /nfs/dbraw/zinc/27/83/18/670278318.db2.gz OLLACAXSWYXZRY-JQWIXIFHSA-N 1 0 314.407 0.980 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NOCc1cccnc1 ZINC000121386423 671583369 /nfs/dbraw/zinc/58/33/69/671583369.db2.gz PYECUVPSTHUCBE-CQSZACIVSA-N 1 0 308.382 0.923 10 0 DCAERO COCCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720804860 685315462 /nfs/dbraw/zinc/31/54/62/685315462.db2.gz KLVBMMZYRAEVKF-BDAKNGLRSA-N 1 0 304.334 0.422 10 0 DCAERO COCCOC[C@H](O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720841275 685315606 /nfs/dbraw/zinc/31/56/06/685315606.db2.gz RHZNSDFMTQYKPE-HBNTYKKESA-N 1 0 300.321 0.079 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@H]1C(F)(F)F ZINC000720802506 685315740 /nfs/dbraw/zinc/31/57/40/685315740.db2.gz CIAZSOOUBZPJNH-DTWKUNHWSA-N 1 0 301.334 0.396 10 0 DCAERO CSC1CCC(CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000720587605 685314822 /nfs/dbraw/zinc/31/48/22/685314822.db2.gz HODWYRFNAIVWSI-UHFFFAOYSA-N 1 0 307.485 0.648 10 0 DCAERO CC(C)(C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000720819054 685315199 /nfs/dbraw/zinc/31/51/99/685315199.db2.gz XMYPMHFTEKBCAS-YUMQZZPRSA-N 1 0 316.345 0.405 10 0 DCAERO CO[C@]1(C[NH2+]C[C@](C)(O)C(F)(F)F)CCS(=O)(=O)C1 ZINC000720902171 685317371 /nfs/dbraw/zinc/31/73/71/685317371.db2.gz BTDZLRVOFHXLAG-IUCAKERBSA-N 1 0 305.318 0.093 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000720927351 685317435 /nfs/dbraw/zinc/31/74/35/685317435.db2.gz VZJKHAPVQNQKTM-RDBSUJKOSA-N 1 0 301.456 0.484 10 0 DCAERO Nc1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662313 685105476 /nfs/dbraw/zinc/10/54/76/685105476.db2.gz SMBWRWKEBHLVBA-NEPJUHHUSA-N 1 0 311.407 0.410 10 0 DCAERO COC(=O)c1cn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nn1 ZINC000245449645 685157002 /nfs/dbraw/zinc/15/70/02/685157002.db2.gz NWYMLBSDPAOPMS-OLZOCXBDSA-N 1 0 307.398 0.969 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc([C@H](C)O)n2)C1 ZINC000248426506 685174549 /nfs/dbraw/zinc/17/45/49/685174549.db2.gz NCOXPDOUWXBMOC-KBPBESRZSA-N 1 0 324.425 0.409 10 0 DCAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000250489900 685185001 /nfs/dbraw/zinc/18/50/01/685185001.db2.gz XSNSVTYYACKFPF-DGAVXFQQSA-N 1 0 314.451 0.943 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CSCN1C(C)=O ZINC000253548915 685187707 /nfs/dbraw/zinc/18/77/07/685187707.db2.gz LUMLFNZBIMSZBB-MGPQQGTHSA-N 1 0 311.451 0.993 10 0 DCAERO COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000381423592 685238680 /nfs/dbraw/zinc/23/86/80/685238680.db2.gz AZJBIUMDWOBLDG-UWVGGRQHSA-N 1 0 300.380 0.628 10 0 DCAERO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000136394037 1158907916 /nfs/dbraw/zinc/90/79/16/1158907916.db2.gz SDXSVOMFPZDVFZ-UHFFFAOYSA-N 1 0 304.799 0.914 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000053274978 1171799332 /nfs/dbraw/zinc/79/93/32/1171799332.db2.gz QRIABIHYMJQYTN-CYBMUJFWSA-N 1 0 314.389 0.997 10 0 DCAERO Cn1cnc2c(c1=O)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC000328628166 231262238 /nfs/dbraw/zinc/26/22/38/231262238.db2.gz NKYUEKWSMFGJED-OAHLLOKOSA-N 1 0 316.405 0.539 10 0 DCAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181564115 199317869 /nfs/dbraw/zinc/31/78/69/199317869.db2.gz DAKHSXMYNWIDHU-WDEREUQCSA-N 1 0 313.423 0.899 10 0 DCAERO OCCn1nccc1C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181670782 199335982 /nfs/dbraw/zinc/33/59/82/199335982.db2.gz VQYUSLVCVFQUON-LBPRGKRZSA-N 1 0 307.316 0.978 10 0 DCAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000045066516 545651819 /nfs/dbraw/zinc/65/18/19/545651819.db2.gz 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C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184090491 237286958 /nfs/dbraw/zinc/28/69/58/237286958.db2.gz ARYRWCXIDYWZGN-NEPJUHHUSA-N 1 0 307.460 0.518 10 0 DCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816700 237326478 /nfs/dbraw/zinc/32/64/78/237326478.db2.gz NXKPJRITUUQXQU-CQSZACIVSA-N 1 0 316.467 0.278 10 0 DCAERO C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050163 299303055 /nfs/dbraw/zinc/30/30/55/299303055.db2.gz DWOIWYHTQQPDDM-DZGCQCFKSA-N 1 0 318.483 0.636 10 0 DCAERO Cc1nc(C(=O)NCC2([NH+](C)C)CCOCC2)c(=O)[nH]c1C ZINC000155942698 291222406 /nfs/dbraw/zinc/22/24/06/291222406.db2.gz RMVCJKASJNHVJX-UHFFFAOYSA-N 1 0 308.382 0.227 10 0 DCAERO CCC[C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000162108763 291243469 /nfs/dbraw/zinc/24/34/69/291243469.db2.gz KMEKZNAHMNWYSE-ZJUUUORDSA-N 1 0 309.332 0.996 10 0 DCAERO CCn1cc(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)cn1 ZINC000275634965 238309479 /nfs/dbraw/zinc/30/94/79/238309479.db2.gz 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0.762 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000246527716 285389977 /nfs/dbraw/zinc/38/99/77/285389977.db2.gz VOPMTURDWONAIG-UPJWGTAASA-N 1 0 319.471 0.791 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000119983721 132138402 /nfs/dbraw/zinc/13/84/02/132138402.db2.gz CYSPFQYZXCOLHS-NSHDSACASA-N 1 0 311.411 0.305 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000120694301 132150193 /nfs/dbraw/zinc/15/01/93/132150193.db2.gz ZCCFYWBZJKPXEK-KOLCDFICSA-N 1 0 315.395 0.386 10 0 DCAERO CSCCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121994975 132161327 /nfs/dbraw/zinc/16/13/27/132161327.db2.gz ZXKHHFCZMJFQBH-STQMWFEESA-N 1 0 313.467 0.846 10 0 DCAERO CC(C)C[NH+]1CCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000096990962 395754938 /nfs/dbraw/zinc/75/49/38/395754938.db2.gz OOGUJLWJAZFHLF-UHFFFAOYSA-N 1 0 310.442 0.982 10 0 DCAERO CC(C)[NH2+]C1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000108369070 395788958 /nfs/dbraw/zinc/78/89/58/395788958.db2.gz HRJWQSLTMZDDDZ-CYBMUJFWSA-N 1 0 310.442 0.173 10 0 DCAERO C[N@H+]1C[C@H]2CN(CC(=O)NC(=O)NCc3ccco3)C[C@H]2C1 ZINC000193651465 395776005 /nfs/dbraw/zinc/77/60/05/395776005.db2.gz ZUGAEQTWOKPPCQ-TXEJJXNPSA-N 1 0 306.366 0.099 10 0 DCAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000193795266 395778887 /nfs/dbraw/zinc/77/88/87/395778887.db2.gz IINYDFAKUFZFPS-HUUCEWRRSA-N 1 0 301.390 0.761 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000111229834 395803235 /nfs/dbraw/zinc/80/32/35/395803235.db2.gz OAHZQMUEGVMCGE-UHFFFAOYSA-N 1 0 322.409 0.581 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)NCCn2cc(C)cn2)CC1 ZINC000118070256 395858265 /nfs/dbraw/zinc/85/82/65/395858265.db2.gz KATLWWGQCKVGML-UHFFFAOYSA-N 1 0 323.441 0.992 10 0 DCAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194724651 395806049 /nfs/dbraw/zinc/80/60/49/395806049.db2.gz FJCAQKIOJXMCBN-NSHDSACASA-N 1 0 317.397 0.076 10 0 DCAERO CCOC(=O)CCCNC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111284954 395806216 /nfs/dbraw/zinc/80/62/16/395806216.db2.gz UNVFGLSIZWGVBP-LBPRGKRZSA-N 1 0 300.399 0.539 10 0 DCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N1CCNC1=O)CC2 ZINC000112552063 395819034 /nfs/dbraw/zinc/81/90/34/395819034.db2.gz HKAGAZRJZZTQDF-WDEREUQCSA-N 1 0 320.397 0.246 10 0 DCAERO NC(=O)COc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327778 395824811 /nfs/dbraw/zinc/82/48/11/395824811.db2.gz MPJWLZMMKKRLLW-GFCCVEGCSA-N 1 0 303.362 0.471 10 0 DCAERO COc1ccccc1NCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116784955 395845368 /nfs/dbraw/zinc/84/53/68/395845368.db2.gz ZPUACRXJSCLTAT-ZDUSSCGKSA-N 1 0 307.394 0.896 10 0 DCAERO COc1ccccc1OCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116784680 395845554 /nfs/dbraw/zinc/84/55/54/395845554.db2.gz TYCGFVIKCUQWIG-CYBMUJFWSA-N 1 0 308.378 0.863 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)CCO1 ZINC000117033402 395850484 /nfs/dbraw/zinc/85/04/84/395850484.db2.gz 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395930127 /nfs/dbraw/zinc/93/01/27/395930127.db2.gz VWYWSFIOCFMXDK-IAGOWNOFSA-N 1 0 319.449 0.996 10 0 DCAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000237320374 395909674 /nfs/dbraw/zinc/90/96/74/395909674.db2.gz PMLVLFWZNCNFCY-LLVKDONJSA-N 1 0 311.407 0.406 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245479193 395930725 /nfs/dbraw/zinc/93/07/25/395930725.db2.gz WDJNQSWKHHVEGB-VXGBXAGGSA-N 1 0 307.446 0.997 10 0 DCAERO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000238125709 395922239 /nfs/dbraw/zinc/92/22/39/395922239.db2.gz NZTQMLIGNCISER-BFHYXJOUSA-N 1 0 321.421 0.668 10 0 DCAERO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000130698608 395923244 /nfs/dbraw/zinc/92/32/44/395923244.db2.gz IFNNGQJFDLQDQK-DGCLKSJQSA-N 1 0 313.423 0.343 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227566865 395869187 /nfs/dbraw/zinc/86/91/87/395869187.db2.gz BWKOZCSAVXSLEJ-QWHCGFSZSA-N 1 0 300.399 0.395 10 0 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/nfs/dbraw/zinc/93/85/62/395938562.db2.gz JSETXOPOVZTJBS-KBPBESRZSA-N 1 0 308.426 0.781 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1cn(CC(=O)OC)nn1 ZINC000246159082 395942665 /nfs/dbraw/zinc/94/26/65/395942665.db2.gz UHSFTKGEUKNRRI-CABCVRRESA-N 1 0 321.425 0.552 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccccn1 ZINC000246248658 395944920 /nfs/dbraw/zinc/94/49/20/395944920.db2.gz VUIJCFNELBUYEG-OLZOCXBDSA-N 1 0 302.378 0.507 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000246247477 395945293 /nfs/dbraw/zinc/94/52/93/395945293.db2.gz NMIJVDWYZASVFT-GOEBONIOSA-N 1 0 313.442 0.807 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000246530330 395951838 /nfs/dbraw/zinc/95/18/38/395951838.db2.gz WPNWKXXWYSWTNB-GFCCVEGCSA-N 1 0 305.444 0.259 10 0 DCAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)ncn1 ZINC000246875517 395960228 /nfs/dbraw/zinc/96/02/28/395960228.db2.gz FRDJJHYAHVAXFR-RYUDHWBXSA-N 1 0 304.398 0.307 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000248915902 396000299 /nfs/dbraw/zinc/00/02/99/396000299.db2.gz JWPBMRHYOMVQON-FQUUOJAGSA-N 1 0 302.440 0.910 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246983026 395962585 /nfs/dbraw/zinc/96/25/85/395962585.db2.gz MSTBYJRBLKSZJR-HZPDHXFCSA-N 1 0 324.469 0.834 10 0 DCAERO COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000247170136 395968141 /nfs/dbraw/zinc/96/81/41/395968141.db2.gz KQSWISUWCOPKGD-GDBMZVCRSA-N 1 0 322.405 0.644 10 0 DCAERO CC[C@H]1CN(CCn2c(C)csc2=O)CC[N@@H+]1C[C@H](C)O ZINC000247238197 395969353 /nfs/dbraw/zinc/96/93/53/395969353.db2.gz RYUPNMWSHKCGRB-KBPBESRZSA-N 1 0 313.467 0.995 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000247274211 395970907 /nfs/dbraw/zinc/97/09/07/395970907.db2.gz SFPIBLKGTQRHJK-RRFJBIMHSA-N 1 0 313.442 0.948 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCN1C(=O)NC(C)(C)C1=O ZINC000247315564 395971636 /nfs/dbraw/zinc/97/16/36/395971636.db2.gz OHFYJRQPMQEODM-OLZOCXBDSA-N 1 0 308.426 0.875 10 0 DCAERO CC[C@@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247376709 395972664 /nfs/dbraw/zinc/97/26/64/395972664.db2.gz VKVXOARDZWWTJQ-ZNMIVQPWSA-N 1 0 302.459 0.939 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccn(C)c2=O)C1 ZINC000150780696 395972863 /nfs/dbraw/zinc/97/28/63/395972863.db2.gz MGDZOULYQMIJSJ-YPMHNXCESA-N 1 0 320.393 0.169 10 0 DCAERO CCc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000150798200 395973552 /nfs/dbraw/zinc/97/35/52/395973552.db2.gz XXZDYKVEGCOPRG-WCQYABFASA-N 1 0 321.425 0.766 10 0 DCAERO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247690946 395977995 /nfs/dbraw/zinc/97/79/95/395977995.db2.gz VXZSZYYIEJXKMK-LSDHHAIUSA-N 1 0 320.389 0.864 10 0 DCAERO Cn1cc(N2CC[C@@H](N3CC[N@@H+]4CCCC[C@H]4C3)C2=O)cn1 ZINC000248368240 395984783 /nfs/dbraw/zinc/98/47/83/395984783.db2.gz UYRYYLFQEBRDRH-DZGCQCFKSA-N 1 0 303.410 0.696 10 0 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/nfs/dbraw/zinc/05/77/45/396057745.db2.gz DPFFVWGRSPSEMG-SNVBAGLBSA-N 1 0 306.288 0.169 10 0 DCAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cn1 ZINC000261774294 396064122 /nfs/dbraw/zinc/06/41/22/396064122.db2.gz MMXUKYADCWEUHA-LBPRGKRZSA-N 1 0 313.379 0.178 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000249211206 396004638 /nfs/dbraw/zinc/00/46/38/396004638.db2.gz SNFKBNXUDDIZQB-PWSUYJOCSA-N 1 0 306.341 0.854 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249183172 396004664 /nfs/dbraw/zinc/00/46/64/396004664.db2.gz NNVOGPFEIHLDCR-NEPJUHHUSA-N 1 0 318.377 0.724 10 0 DCAERO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864694 396099340 /nfs/dbraw/zinc/09/93/40/396099340.db2.gz ORFXJVRTLVJCSE-ONGXEEELSA-N 1 0 310.427 0.651 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170859350 396099381 /nfs/dbraw/zinc/09/93/81/396099381.db2.gz AMVWYQAKJCVWBO-GFCCVEGCSA-N 1 0 311.407 0.371 10 0 DCAERO Cc1ccc2ncc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c(=O)n2c1 ZINC000170867670 396099423 /nfs/dbraw/zinc/09/94/23/396099423.db2.gz AGSHSXRFGLGGIN-GFCCVEGCSA-N 1 0 300.362 0.779 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000170865425 396099569 /nfs/dbraw/zinc/09/95/69/396099569.db2.gz WSLPVJNCMPPPHA-CQSZACIVSA-N 1 0 307.369 0.647 10 0 DCAERO [NH3+]Cc1cc(Cn2cc(I)cn2)on1 ZINC000070678981 396103561 /nfs/dbraw/zinc/10/35/61/396103561.db2.gz YMWAQVNRJRWAET-UHFFFAOYSA-N 1 0 304.091 0.983 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000171077229 396105350 /nfs/dbraw/zinc/10/53/50/396105350.db2.gz MYILRTYABOCBEQ-LLVKDONJSA-N 1 0 310.402 0.481 10 0 DCAERO Cc1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(F)cc1F ZINC000175791160 396142224 /nfs/dbraw/zinc/14/22/24/396142224.db2.gz HUNGHLHXAFWCBN-JTQLQIEISA-N 1 0 320.361 0.882 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000262188112 396108884 /nfs/dbraw/zinc/10/88/84/396108884.db2.gz CACRNRQAYQPISV-UONOGXRCSA-N 1 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/nfs/dbraw/zinc/13/84/95/396138495.db2.gz AFKDAZVJKWUXOG-KGLIPLIRSA-N 1 0 302.415 0.343 10 0 DCAERO C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000175620719 396140250 /nfs/dbraw/zinc/14/02/50/396140250.db2.gz UCUJITTVKMQCLC-DZGCQCFKSA-N 1 0 310.442 0.443 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(Cc3cscn3)CC2)CCOCC1 ZINC000261874901 396074823 /nfs/dbraw/zinc/07/48/23/396074823.db2.gz OQLOOASTHKOCIC-UHFFFAOYSA-N 1 0 310.423 0.295 10 0 DCAERO CN(Cc1nc([C@@H]2C[NH2+]CCN2C)no1)C(=O)c1cccs1 ZINC000263232515 396207870 /nfs/dbraw/zinc/20/78/70/396207870.db2.gz NPCUMDBZWHSYIF-JTQLQIEISA-N 1 0 321.406 0.979 10 0 DCAERO O=C(NCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1cccnc1 ZINC000262479166 396145304 /nfs/dbraw/zinc/14/53/04/396145304.db2.gz ZFUQIZWNSORHIH-WMLDXEAASA-N 1 0 316.405 0.707 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000176206131 396151627 /nfs/dbraw/zinc/15/16/27/396151627.db2.gz UXHMBLZUJRMVRN-CYBMUJFWSA-N 1 0 309.410 0.955 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000176288947 396154081 /nfs/dbraw/zinc/15/40/81/396154081.db2.gz HRGIKNLEVDOAEV-ZDUSSCGKSA-N 1 0 305.378 0.717 10 0 DCAERO CCCNC(=O)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262558889 396155517 /nfs/dbraw/zinc/15/55/17/396155517.db2.gz UVXDRMMIOJWFCV-AXAPSJFSSA-N 1 0 311.426 0.551 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CCO2)cn1 ZINC000279255055 396161603 /nfs/dbraw/zinc/16/16/03/396161603.db2.gz UYRIZFBKMZTOSF-LSDHHAIUSA-N 1 0 304.394 0.947 10 0 DCAERO CCc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)n(C)n1 ZINC000176904801 396162476 /nfs/dbraw/zinc/16/24/76/396162476.db2.gz XFSNMOIFMNOGIB-ZDUSSCGKSA-N 1 0 321.425 0.864 10 0 DCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000262638785 396166294 /nfs/dbraw/zinc/16/62/94/396166294.db2.gz YDQCPZOMVIAIPJ-QMTHXVAHSA-N 1 0 321.377 0.901 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262744167 396177684 /nfs/dbraw/zinc/17/76/84/396177684.db2.gz CZXVKQUFFQGSDE-ZYHUDNBSSA-N 1 0 312.391 0.750 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000262777448 396181387 /nfs/dbraw/zinc/18/13/87/396181387.db2.gz OCRRYPAVKDLKIY-GHMZBOCLSA-N 1 0 312.391 0.734 10 0 DCAERO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC1CC1 ZINC000262778791 396181484 /nfs/dbraw/zinc/18/14/84/396181484.db2.gz KSAXSYYUQJXMMY-LBPRGKRZSA-N 1 0 303.428 0.046 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000262810692 396183804 /nfs/dbraw/zinc/18/38/04/396183804.db2.gz XYCWHVMGIXCUGX-APPZFPTMSA-N 1 0 304.803 0.594 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)o1 ZINC000262814201 396184656 /nfs/dbraw/zinc/18/46/56/396184656.db2.gz YZDLBUFZUQPNBI-SCZZXKLOSA-N 1 0 316.379 0.651 10 0 DCAERO COCCCOCCN(C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262832015 396186398 /nfs/dbraw/zinc/18/63/98/396186398.db2.gz SEISPZOTGVRAMM-CQSZACIVSA-N 1 0 324.425 0.933 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC[NH2+]1 ZINC000262875883 396189187 /nfs/dbraw/zinc/18/91/87/396189187.db2.gz MVCTZGPDBZJQLA-QWRGUYRKSA-N 1 0 316.361 0.359 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cccn2)CC1 ZINC000181769163 396242390 /nfs/dbraw/zinc/24/23/90/396242390.db2.gz XYESHTLPKOJZPP-AWEZNQCLSA-N 1 0 323.441 0.617 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000181939505 396244269 /nfs/dbraw/zinc/24/42/69/396244269.db2.gz ODLUULDAASTXMH-UHFFFAOYSA-N 1 0 318.377 0.100 10 0 DCAERO COC(=O)CC[N@@H+]1CCN(Cc2nnc(C3CC3)n2C)[C@H](C)C1 ZINC000182086650 396246306 /nfs/dbraw/zinc/24/63/06/396246306.db2.gz UMPVMNRQVYCBIA-GFCCVEGCSA-N 1 0 321.425 0.762 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)NCCCn2ccnn2)CC1 ZINC000182724162 396253402 /nfs/dbraw/zinc/25/34/02/396253402.db2.gz CIRCPCMZLUDDTJ-UHFFFAOYSA-N 1 0 324.429 0.468 10 0 DCAERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCn1ccnn1 ZINC000182911144 396256517 /nfs/dbraw/zinc/25/65/17/396256517.db2.gz 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/nfs/dbraw/zinc/21/79/53/396217953.db2.gz KEUWXBJKKXWIBQ-CQSZACIVSA-N 1 0 320.393 0.706 10 0 DCAERO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000179575811 396228148 /nfs/dbraw/zinc/22/81/48/396228148.db2.gz QNJSNGOFKIHRLF-LLVKDONJSA-N 1 0 308.382 0.894 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2cc(C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000184986227 396313470 /nfs/dbraw/zinc/31/34/70/396313470.db2.gz RBKXXVDGFNWCPU-OLZOCXBDSA-N 1 0 310.398 0.970 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000185049448 396316155 /nfs/dbraw/zinc/31/61/55/396316155.db2.gz NNFICODHTXDYBC-LSDHHAIUSA-N 1 0 314.474 0.815 10 0 DCAERO COCCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1=O ZINC000184284409 396289017 /nfs/dbraw/zinc/28/90/17/396289017.db2.gz LYNSZBVOWCBQGK-UHFFFAOYSA-N 1 0 306.366 0.078 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1nc2ccccn2n1 ZINC000184323715 396291387 /nfs/dbraw/zinc/29/13/87/396291387.db2.gz QQLJOQLMHJEUAO-LBPRGKRZSA-N 1 0 318.381 0.962 10 0 DCAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000081903959 396310054 /nfs/dbraw/zinc/31/00/54/396310054.db2.gz JAQQDETWPNFOHD-CHWSQXEVSA-N 1 0 301.408 0.757 10 0 DCAERO CCOCCONC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000186012035 396339395 /nfs/dbraw/zinc/33/93/95/396339395.db2.gz BRTQQXGXHYFFSR-CQSZACIVSA-N 1 0 314.430 0.376 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)cnc4ccccc43)C[C@@H]12 ZINC000186937392 396360220 /nfs/dbraw/zinc/36/02/20/396360220.db2.gz SSJBSWMBVDRNRV-JHJVBQTASA-N 1 0 312.373 0.592 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000187394144 396368807 /nfs/dbraw/zinc/36/88/07/396368807.db2.gz LTANDGDHYIHPPB-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO Cc1cc(C)c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(=O)[nH]1 ZINC000285390487 396350109 /nfs/dbraw/zinc/35/01/09/396350109.db2.gz XDCAMGZHCXGIEK-STQMWFEESA-N 1 0 305.378 0.949 10 0 DCAERO O=C(Cn1cnnn1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189002941 396389956 /nfs/dbraw/zinc/38/99/56/396389956.db2.gz HPAJHSXFFWZRMI-MFKMUULPSA-N 1 0 322.319 0.213 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189542271 396396532 /nfs/dbraw/zinc/39/65/32/396396532.db2.gz MDPRROVQYXUBDO-UHFFFAOYSA-N 1 0 308.430 0.892 10 0 DCAERO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189786758 396399750 /nfs/dbraw/zinc/39/97/50/396399750.db2.gz WCKUYCIQAQOIEL-UHFFFAOYSA-N 1 0 306.366 0.791 10 0 DCAERO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n(C)n1 ZINC000190093691 396402056 /nfs/dbraw/zinc/40/20/56/396402056.db2.gz YCYQTWANOLNULY-NWDGAFQWSA-N 1 0 305.382 0.362 10 0 DCAERO COc1cccc([C@H](CNC(=O)N2CC(CO)C2)[NH+](C)C)c1 ZINC000190473846 396406632 /nfs/dbraw/zinc/40/66/32/396406632.db2.gz NMHQCFPXFNCDFB-HNNXBMFYSA-N 1 0 307.394 0.932 10 0 DCAERO C[C@@H](C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000192111529 396430041 /nfs/dbraw/zinc/43/00/41/396430041.db2.gz AFQGNYCVUIYAHA-KGLIPLIRSA-N 1 0 324.469 0.372 10 0 DCAERO COc1ccnc(NC2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)n1 ZINC000192865928 396439669 /nfs/dbraw/zinc/43/96/69/396439669.db2.gz ZHPQSHAWYWEZMQ-NSHDSACASA-N 1 0 307.398 0.838 10 0 DCAERO Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000192921998 396440364 /nfs/dbraw/zinc/44/03/64/396440364.db2.gz RQPIFZQWTJWHSG-ZDUSSCGKSA-N 1 0 320.393 0.292 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCc1cc(F)ccc1OC ZINC000187900829 396376559 /nfs/dbraw/zinc/37/65/59/396376559.db2.gz UGWXNZKBJDAXFB-UHFFFAOYSA-N 1 0 313.373 0.948 10 0 DCAERO COCC(=O)NC1CN(C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000188165045 396379774 /nfs/dbraw/zinc/37/97/74/396379774.db2.gz BZDOBALDDIACGZ-UHFFFAOYSA-N 1 0 314.430 0.262 10 0 DCAERO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193322475 396448972 /nfs/dbraw/zinc/44/89/72/396448972.db2.gz HYISRTCPPOGMIK-UONOGXRCSA-N 1 0 310.442 0.269 10 0 DCAERO O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193476896 396452129 /nfs/dbraw/zinc/45/21/29/396452129.db2.gz YJJBOVKVPHTTGD-NSHDSACASA-N 1 0 308.769 0.980 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCN2CCOC[C@H]2C)C1 ZINC000375612211 396781690 /nfs/dbraw/zinc/78/16/90/396781690.db2.gz JJPKWXSFUPYJIA-ZIAGYGMSSA-N 1 0 319.471 0.109 10 0 DCAERO C[NH2+]CCOCCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000629571836 396792843 /nfs/dbraw/zinc/79/28/43/396792843.db2.gz JVZMMMIAHHWRFI-UHFFFAOYSA-N 1 0 300.424 0.758 10 0 DCAERO CS[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311846348 396762191 /nfs/dbraw/zinc/76/21/91/396762191.db2.gz VBFCTHXQLFNKKY-GRYCIOLGSA-N 1 0 308.469 0.568 10 0 DCAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312915433 396768138 /nfs/dbraw/zinc/76/81/38/396768138.db2.gz BXXROIORVGUEPB-QWHCGFSZSA-N 1 0 308.444 0.130 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC000328627823 396827409 /nfs/dbraw/zinc/82/74/09/396827409.db2.gz GPABGMQVNNEWBR-RBSFLKMASA-N 1 0 324.425 0.814 10 0 DCAERO Cn1ccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000328656982 396831630 /nfs/dbraw/zinc/83/16/30/396831630.db2.gz ZWBALTKNBOUJSQ-UHFFFAOYSA-N 1 0 301.394 0.877 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1 ZINC000629590362 396801172 /nfs/dbraw/zinc/80/11/72/396801172.db2.gz WVHIWUKHJZFWQU-DJIMGWMZSA-N 1 0 323.389 0.758 10 0 DCAERO CC(C)c1ncc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000564832345 396876008 /nfs/dbraw/zinc/87/60/08/396876008.db2.gz ZCXVKCGSKGYMAN-UHFFFAOYSA-N 1 0 307.398 0.949 10 0 DCAERO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)CC[N@@H+]1C ZINC000332793532 396894680 /nfs/dbraw/zinc/89/46/80/396894680.db2.gz NSIJHBHJGSVMSM-MJBXVCDLSA-N 1 0 306.414 0.935 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000634726508 396899791 /nfs/dbraw/zinc/89/97/91/396899791.db2.gz VBARFUFWHNQJNF-SECBINFHSA-N 1 0 314.187 0.530 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611668427 396905199 /nfs/dbraw/zinc/90/51/99/396905199.db2.gz IZBKUTLVBMPWOI-UONOGXRCSA-N 1 0 309.410 0.352 10 0 DCAERO CO[C@H]1CN(CCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630357132 396992486 /nfs/dbraw/zinc/99/24/86/396992486.db2.gz WKLRFXDMYJBERR-SJKOYZFVSA-N 1 0 317.389 0.721 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)[C@@](C)(C[NH3+])C1 ZINC000630359744 396993619 /nfs/dbraw/zinc/99/36/19/396993619.db2.gz DTFZYYMUIDAHEF-RWMBFGLXSA-N 1 0 305.444 0.401 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630361763 396994947 /nfs/dbraw/zinc/99/49/47/396994947.db2.gz VLHLKEWINNKXCI-AVGNSLFASA-N 1 0 305.444 0.544 10 0 DCAERO c1c(CNCCOC[C@@H]2CCCO2)nnn1C[C@H]1CCOC1 ZINC000631074309 397165296 /nfs/dbraw/zinc/16/52/96/397165296.db2.gz YGFNBILPGPSVPF-HIFRSBDPSA-N 1 0 310.398 0.600 10 0 DCAERO Cc1ccn(C)c1C(=O)N1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000364755172 397244622 /nfs/dbraw/zinc/24/46/22/397244622.db2.gz NKCKDPVBPHZQPU-OAHLLOKOSA-N 1 0 320.437 0.422 10 0 DCAERO CNS(=O)(=O)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000407950765 397334130 /nfs/dbraw/zinc/33/41/30/397334130.db2.gz DZEPPMPLGGNEFE-UHFFFAOYSA-N 1 0 303.472 0.876 10 0 DCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404055767 397326050 /nfs/dbraw/zinc/32/60/50/397326050.db2.gz BADPCVPXUYUJAB-KGLIPLIRSA-N 1 0 301.346 0.303 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404140076 397327134 /nfs/dbraw/zinc/32/71/34/397327134.db2.gz YRHMBNZZZVMCHR-LSDHHAIUSA-N 1 0 315.373 0.345 10 0 DCAERO O[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)Cn1ccnn1 ZINC000459703664 397434539 /nfs/dbraw/zinc/43/45/39/397434539.db2.gz GOYBOMNGFOCCBV-HNNXBMFYSA-N 1 0 316.340 0.754 10 0 DCAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000370164882 397451009 /nfs/dbraw/zinc/45/10/09/397451009.db2.gz SYILQJQKSPFPNY-IJLUTSLNSA-N 1 0 304.412 0.009 10 0 DCAERO C[NH+](C)CCOCCNC(=O)N1CCSC[C@H]1CCO ZINC000471650154 397451133 /nfs/dbraw/zinc/45/11/33/397451133.db2.gz SPHJOHOAZWVAFB-GFCCVEGCSA-N 1 0 305.444 0.074 10 0 DCAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000593876091 397464855 /nfs/dbraw/zinc/46/48/55/397464855.db2.gz VBNKSQSPUAMGAO-GRYCIOLGSA-N 1 0 310.398 0.354 10 0 DCAERO C[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCO1 ZINC000578689190 397470614 /nfs/dbraw/zinc/47/06/14/397470614.db2.gz SXTMEEDNYAQMFQ-AVOUXACISA-N 1 0 323.437 0.755 10 0 DCAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000370534285 397498056 /nfs/dbraw/zinc/49/80/56/397498056.db2.gz SDJAWWAUUVUXRC-BLLLJJGKSA-N 1 0 311.426 0.478 10 0 DCAERO Cc1cnn(CC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c1 ZINC000579574488 397580419 /nfs/dbraw/zinc/58/04/19/397580419.db2.gz ICNFZTIYJPIVIB-MRXNPFEDSA-N 1 0 306.410 0.641 10 0 DCAERO CCc1n[nH]cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000603895654 397627242 /nfs/dbraw/zinc/62/72/42/397627242.db2.gz UCJOINNHFSJYBR-UHFFFAOYSA-N 1 0 307.442 0.976 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177568281 286653763 /nfs/dbraw/zinc/65/37/63/286653763.db2.gz MKGMLZZLGFYTLV-RYUDHWBXSA-N 1 0 305.444 0.257 10 0 DCAERO CC(C)(C)C(=O)NCCC(=O)NCCCC[NH+]1CCOCC1 ZINC000048286945 158006169 /nfs/dbraw/zinc/00/61/69/158006169.db2.gz MDWOUZJWHIUSHU-UHFFFAOYSA-N 1 0 313.442 0.767 10 0 DCAERO O=C(Nc1cc(F)cc(F)c1F)C(=O)N1CCC[NH2+]CC1 ZINC000061121977 158028569 /nfs/dbraw/zinc/02/85/69/158028569.db2.gz RTINNIIGSXZYMQ-UHFFFAOYSA-N 1 0 301.268 0.864 10 0 DCAERO CC[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC[NH2+]C1 ZINC000062888408 158029625 /nfs/dbraw/zinc/02/96/25/158029625.db2.gz RQNACSDBBOSUCT-CQSZACIVSA-N 1 0 311.407 0.340 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000070060460 158046347 /nfs/dbraw/zinc/04/63/47/158046347.db2.gz UTRBPDSVJXAKCO-NWDGAFQWSA-N 1 0 307.460 0.791 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000074495779 158060084 /nfs/dbraw/zinc/06/00/84/158060084.db2.gz SKKYSLIASMNXSP-ZDUSSCGKSA-N 1 0 319.409 0.332 10 0 DCAERO CCOCCNC(=O)CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000084694407 158088689 /nfs/dbraw/zinc/08/86/89/158088689.db2.gz 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ZINC000115487418 158161485 /nfs/dbraw/zinc/16/14/85/158161485.db2.gz MVSCRKIFNCBXCG-CHWSQXEVSA-N 1 0 324.425 0.506 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116955994 158168566 /nfs/dbraw/zinc/16/85/66/158168566.db2.gz XJMAAYPGTLYWBZ-RYUDHWBXSA-N 1 0 320.459 0.050 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000121914002 158216868 /nfs/dbraw/zinc/21/68/68/158216868.db2.gz JVFTVCKVKOZVEK-NWDGAFQWSA-N 1 0 323.397 0.371 10 0 DCAERO C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000123826075 158234335 /nfs/dbraw/zinc/23/43/35/158234335.db2.gz UAKCWTCQNGWJLX-KBPBESRZSA-N 1 0 312.458 0.831 10 0 DCAERO C[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)C[NH+]1CCCCC1 ZINC000124241522 158239807 /nfs/dbraw/zinc/23/98/07/158239807.db2.gz DMKYYCIGWHFAFA-LBPRGKRZSA-N 1 0 306.410 0.976 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126662098 158268101 /nfs/dbraw/zinc/26/81/01/158268101.db2.gz SUEXVDNRRHDWFG-RYUDHWBXSA-N 1 0 305.444 0.545 10 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WVQHDHJWNFGGDQ-OAHLLOKOSA-N 1 0 305.426 0.942 10 0 DCAERO COCCCOC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000130872634 158298048 /nfs/dbraw/zinc/29/80/48/158298048.db2.gz SDVOMYOTUCLKIQ-HNNXBMFYSA-N 1 0 316.442 0.197 10 0 DCAERO CCS(=O)(=O)NCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000132118129 158308168 /nfs/dbraw/zinc/30/81/68/158308168.db2.gz JVURXRGOMWIQBL-UHFFFAOYSA-N 1 0 300.428 0.919 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000132355843 158310629 /nfs/dbraw/zinc/31/06/29/158310629.db2.gz SYKSEWJXXPBANQ-CMPLNLGQSA-N 1 0 311.407 0.404 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000133648484 158320739 /nfs/dbraw/zinc/32/07/39/158320739.db2.gz YCESIJFEWHZLBF-UHFFFAOYSA-N 1 0 305.378 0.635 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000133817946 158322172 /nfs/dbraw/zinc/32/21/72/158322172.db2.gz WVWNLHIPZABDKI-KGLIPLIRSA-N 1 0 304.456 0.943 10 0 DCAERO COCC(=O)N(C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134600916 158328939 /nfs/dbraw/zinc/32/89/39/158328939.db2.gz DRVAOUUBTDMPTN-UHFFFAOYSA-N 1 0 311.426 0.426 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000134814652 158330998 /nfs/dbraw/zinc/33/09/98/158330998.db2.gz ZVAWQZWBENIPPA-VXGBXAGGSA-N 1 0 307.460 0.839 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCOCC1 ZINC000171038221 158379486 /nfs/dbraw/zinc/37/94/86/158379486.db2.gz KXHUTTZPWCVPRP-CABCVRRESA-N 1 0 310.442 0.587 10 0 DCAERO CCOCCN1CC[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CC ZINC000171630853 158385592 /nfs/dbraw/zinc/38/55/92/158385592.db2.gz RIZFYXACFOFQJW-CVEARBPZSA-N 1 0 310.442 0.677 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000172040736 158390301 /nfs/dbraw/zinc/39/03/01/158390301.db2.gz XCOVQMJXOVWHNO-NWDGAFQWSA-N 1 0 306.414 0.501 10 0 DCAERO C[NH+](C)Cc1cc(CNC(=O)N2CCNC(=O)C2)ccc1F ZINC000172160071 158391312 /nfs/dbraw/zinc/39/13/12/158391312.db2.gz NGNAFVYENKIBBY-UHFFFAOYSA-N 1 0 308.357 0.529 10 0 DCAERO NC(=O)c1ccc(OCCC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188669346 158546140 /nfs/dbraw/zinc/54/61/40/158546140.db2.gz DQEHGCQPWAZJHZ-UHFFFAOYSA-N 1 0 317.389 0.861 10 0 DCAERO CN(C)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000189779466 158555367 /nfs/dbraw/zinc/55/53/67/158555367.db2.gz TUWAHHADPKGKQQ-UHFFFAOYSA-N 1 0 316.405 0.998 10 0 DCAERO C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H]3C[NH2+]C[C@H]3CC1)CS2 ZINC000261791276 158740119 /nfs/dbraw/zinc/74/01/19/158740119.db2.gz LXQLPLBOPGJCGP-OQMKEHIESA-N 1 0 323.462 0.898 10 0 DCAERO COc1cccc([C@@H](O)CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261948981 158757446 /nfs/dbraw/zinc/75/74/46/158757446.db2.gz OATVBZWPKDIWMY-AWEZNQCLSA-N 1 0 308.378 0.600 10 0 DCAERO NC(=O)[C@H]1CCC[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262054067 158768384 /nfs/dbraw/zinc/76/83/84/158768384.db2.gz ZZRKDEIKJFVIJX-STQMWFEESA-N 1 0 319.409 0.122 10 0 DCAERO Cn1cc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000262101928 158773573 /nfs/dbraw/zinc/77/35/73/158773573.db2.gz VRBAQYJOBNVLCS-UHFFFAOYSA-N 1 0 308.407 0.612 10 0 DCAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262310397 158796337 /nfs/dbraw/zinc/79/63/37/158796337.db2.gz QIWNNCUOAHKDKU-HOTUBEGUSA-N 1 0 316.760 0.943 10 0 DCAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262318579 158797226 /nfs/dbraw/zinc/79/72/26/158797226.db2.gz DWBIYGDMPDJIIV-QMTHXVAHSA-N 1 0 312.316 0.624 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000262317188 158797412 /nfs/dbraw/zinc/79/74/12/158797412.db2.gz PWSSAFMBABXVNV-DTWKUNHWSA-N 1 0 312.420 0.968 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cn1 ZINC000262371383 158805186 /nfs/dbraw/zinc/80/51/86/158805186.db2.gz WENVSEWCNRMMIX-OIBJUYFYSA-N 1 0 300.156 0.154 10 0 DCAERO COC(=O)CN1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262383682 158807512 /nfs/dbraw/zinc/80/75/12/158807512.db2.gz YYXWCNZJSRULEE-KGLIPLIRSA-N 1 0 311.426 0.329 10 0 DCAERO [NH3+]CCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000262473041 158816800 /nfs/dbraw/zinc/81/68/00/158816800.db2.gz KVBMIXSIQDNWMC-LLVKDONJSA-N 1 0 319.361 0.276 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)CCn2nc3ccccn3c2=O)CC[NH2+]1 ZINC000262959639 158850516 /nfs/dbraw/zinc/85/05/16/158850516.db2.gz WKCFXMVUWLEDFY-RYUDHWBXSA-N 1 0 303.366 0.143 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)c2ncncc2Cl)CC1(C)C ZINC000328691497 159021232 /nfs/dbraw/zinc/02/12/32/159021232.db2.gz DWPMMJYFNSYLPS-UHFFFAOYSA-N 1 0 311.817 0.886 10 0 DCAERO O=C(c1csc(-c2nc[nH]n2)n1)N1CCN(C2CC2)CC1 ZINC000328730436 159025023 /nfs/dbraw/zinc/02/50/23/159025023.db2.gz HYPAOAPJOGMHLI-UHFFFAOYSA-N 1 0 304.379 0.848 10 0 DCAERO COc1cccc(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000329045428 159054658 /nfs/dbraw/zinc/05/46/58/159054658.db2.gz UTLKKSQQWDJLRJ-KBPBESRZSA-N 1 0 305.378 0.564 10 0 DCAERO Cc1nccn1-c1cncc(N2CCC[N@H+](CCO)CC2)n1 ZINC000329159911 159069085 /nfs/dbraw/zinc/06/90/85/159069085.db2.gz XWRITJCYRNTHAU-UHFFFAOYSA-N 1 0 302.382 0.475 10 0 DCAERO Cc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nnn1C ZINC000329735412 159116200 /nfs/dbraw/zinc/11/62/00/159116200.db2.gz RYJALVQQWNIYAW-AWEZNQCLSA-N 1 0 320.441 0.366 10 0 DCAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc([C@H]2COCCO2)n1C ZINC000329808529 159120846 /nfs/dbraw/zinc/12/08/46/159120846.db2.gz BSTDIJAYIYQLEV-HZSPNIEDSA-N 1 0 321.425 0.966 10 0 DCAERO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@H](C3CC3)C2)CC1=O ZINC000330172689 159147298 /nfs/dbraw/zinc/14/72/98/159147298.db2.gz GQSAOSAKOQYQDN-KBPBESRZSA-N 1 0 309.410 0.034 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000330614243 159203608 /nfs/dbraw/zinc/20/36/08/159203608.db2.gz ZXQBLUYRWHMSGN-ZIAGYGMSSA-N 1 0 324.425 0.751 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)CN2CCO[C@@H](C3CC3)C2)C1 ZINC000332961906 159218290 /nfs/dbraw/zinc/21/82/90/159218290.db2.gz GPBWRZYNGQSPRV-LSDHHAIUSA-N 1 0 309.410 0.224 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)CCO1 ZINC000332965468 159218480 /nfs/dbraw/zinc/21/84/80/159218480.db2.gz NAPONRVAHHCCST-QWHCGFSZSA-N 1 0 324.425 0.112 10 0 DCAERO COC(=O)[C@]1(C)C[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000367099772 159313604 /nfs/dbraw/zinc/31/36/04/159313604.db2.gz MOHDERQPZXCLSD-LMOYCYGVSA-N 1 0 312.410 0.753 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000367491919 159340590 /nfs/dbraw/zinc/34/05/90/159340590.db2.gz AVNSZOULYFWUDR-QGZVFWFLSA-N 1 0 314.389 0.744 10 0 DCAERO COCCN(C)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000061376567 292427604 /nfs/dbraw/zinc/42/76/04/292427604.db2.gz MCIXMJDVKSMYTN-GFCCVEGCSA-N 1 0 315.439 0.563 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000408011865 160010324 /nfs/dbraw/zinc/01/03/24/160010324.db2.gz VUHLIFXWOTWVJT-UONOGXRCSA-N 1 0 303.472 0.873 10 0 DCAERO CC(C)OCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408026110 160015182 /nfs/dbraw/zinc/01/51/82/160015182.db2.gz CKQINNJBUGFWHH-STQMWFEESA-N 1 0 306.428 0.146 10 0 DCAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000408035287 160018317 /nfs/dbraw/zinc/01/83/17/160018317.db2.gz KZTHOLQOLSFPTA-RDBSUJKOSA-N 1 0 321.425 0.723 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000408048623 160022793 /nfs/dbraw/zinc/02/27/93/160022793.db2.gz YVTGKRWGGTXJLD-CZUORRHYSA-N 1 0 311.426 0.350 10 0 DCAERO CCn1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)nc1C ZINC000408062044 160026642 /nfs/dbraw/zinc/02/66/42/160026642.db2.gz XVQQLWRRJJISSS-UHFFFAOYSA-N 1 0 300.428 0.926 10 0 DCAERO Cc1cnn(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408068142 160027488 /nfs/dbraw/zinc/02/74/88/160027488.db2.gz GZMGZVZUGIWIQD-NWDGAFQWSA-N 1 0 300.428 0.832 10 0 DCAERO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071894 160029276 /nfs/dbraw/zinc/02/92/76/160029276.db2.gz OZTQBAAQHVFMNI-RDBSUJKOSA-N 1 0 319.471 0.157 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000408129272 160043479 /nfs/dbraw/zinc/04/34/79/160043479.db2.gz ZDQIUKNLLPUTNM-STQMWFEESA-N 1 0 311.426 0.158 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCN1C(=O)CNC1=O ZINC000408152700 160049166 /nfs/dbraw/zinc/04/91/66/160049166.db2.gz DBICZDINNMRKAY-NEPJUHHUSA-N 1 0 308.382 0.014 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000408306073 160081325 /nfs/dbraw/zinc/08/13/25/160081325.db2.gz OVOQIQQELBBOSU-NSHDSACASA-N 1 0 303.428 0.299 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408421342 160104352 /nfs/dbraw/zinc/10/43/52/160104352.db2.gz IOWWKVQAECSZOM-YNEHKIRRSA-N 1 0 307.460 0.660 10 0 DCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@@H]21 ZINC000408469227 160114258 /nfs/dbraw/zinc/11/42/58/160114258.db2.gz RUTYXDCIAICFFG-DOMZBBRYSA-N 1 0 312.373 0.559 10 0 DCAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110648319 286907969 /nfs/dbraw/zinc/90/79/69/286907969.db2.gz SSTSCLDELFDDNR-IJLUTSLNSA-N 1 0 305.444 0.400 10 0 DCAERO 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/nfs/dbraw/zinc/09/39/48/287093948.db2.gz HOYFOZUOVICTSM-QLFBSQMISA-N 1 0 313.442 0.059 10 0 DCAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](CO)C(C)(C)C ZINC000246961851 287089592 /nfs/dbraw/zinc/08/95/92/287089592.db2.gz VAETVYWXPGXHJW-OLZOCXBDSA-N 1 0 306.472 0.997 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000247123364 287091315 /nfs/dbraw/zinc/09/13/15/287091315.db2.gz JUVXGWDOAMPGDT-ZIAGYGMSSA-N 1 0 302.459 0.939 10 0 DCAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCn2ccnn2)C1 ZINC000248485066 287097793 /nfs/dbraw/zinc/09/77/93/287097793.db2.gz KLSHFVUUQLSAGG-UONOGXRCSA-N 1 0 306.414 0.794 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)[C@@H](C)CO1 ZINC000249254553 287108455 /nfs/dbraw/zinc/10/84/55/287108455.db2.gz GHCJDZOZPCZNJM-QWHCGFSZSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](CO)O1 ZINC000249300530 287108831 /nfs/dbraw/zinc/10/88/31/287108831.db2.gz NMPRFRQFFPRXOJ-BMFZPTHFSA-N 1 0 306.406 0.768 10 0 DCAERO 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416049971 /nfs/dbraw/zinc/04/99/71/416049971.db2.gz FAMJUJZBXWJUBO-CYBMUJFWSA-N 1 0 305.426 0.847 10 0 DCAERO COC(=O)CCCS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173275325 416055465 /nfs/dbraw/zinc/05/54/65/416055465.db2.gz JULBZLJIMZRFLL-RYUDHWBXSA-N 1 0 306.428 0.684 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000173908445 416066739 /nfs/dbraw/zinc/06/67/39/416066739.db2.gz VFRNADVKBNCUQW-MRXNPFEDSA-N 1 0 324.469 0.834 10 0 DCAERO C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908613 416068669 /nfs/dbraw/zinc/06/86/69/416068669.db2.gz OJYWDHQDAYHCDK-ZFWWWQNUSA-N 1 0 310.442 0.585 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000338274612 416069318 /nfs/dbraw/zinc/06/93/18/416069318.db2.gz KPGDDIUVUAYPRJ-UONOGXRCSA-N 1 0 301.456 0.438 10 0 DCAERO CCCCNC(=O)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173950181 416070581 /nfs/dbraw/zinc/07/05/81/416070581.db2.gz XKCYOKBPLQAPPX-CYBMUJFWSA-N 1 0 312.414 0.019 10 0 DCAERO 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[NH3+]Cc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)o1 ZINC000176445007 416125217 /nfs/dbraw/zinc/12/52/17/416125217.db2.gz SHXNAHTZBQOPNG-NSHDSACASA-N 1 0 301.350 0.927 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC(=O)N1CCOCC1 ZINC000177006711 416137979 /nfs/dbraw/zinc/13/79/79/416137979.db2.gz ACGOKWLMLOJOKR-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329040898 416145784 /nfs/dbraw/zinc/14/57/84/416145784.db2.gz SQRSSAGGHOJPPE-UPJWGTAASA-N 1 0 303.410 0.995 10 0 DCAERO CN(C)c1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177683090 416149524 /nfs/dbraw/zinc/14/95/24/416149524.db2.gz ORUDCDFOZQUVMG-CYBMUJFWSA-N 1 0 316.405 0.998 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000177709108 416151055 /nfs/dbraw/zinc/15/10/55/416151055.db2.gz LESBRCDEULKZHU-GOEBONIOSA-N 1 0 324.469 0.482 10 0 DCAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2CCOCC2)C1 ZINC000177746392 416151156 /nfs/dbraw/zinc/15/11/56/416151156.db2.gz MBBYXDUIIXUREL-UYTSQGDYSA-N 1 0 307.438 0.840 10 0 DCAERO C[C@@H](CC(=O)N1CCNC[C@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181394000 416206237 /nfs/dbraw/zinc/20/62/37/416206237.db2.gz VJCBRSFNQHUDPU-BBRMVZONSA-N 1 0 319.453 0.919 10 0 DCAERO C[C@H](CC(=O)N1CCNC[C@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181394018 416206455 /nfs/dbraw/zinc/20/64/55/416206455.db2.gz VJCBRSFNQHUDPU-CJNGLKHVSA-N 1 0 319.453 0.919 10 0 DCAERO COCc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000182442561 416222312 /nfs/dbraw/zinc/22/23/12/416222312.db2.gz OQUKTYARBHWEDA-GFCCVEGCSA-N 1 0 312.414 0.741 10 0 DCAERO NC(=O)NC1(C(=O)N2CCCN(c3ccccn3)CC2)CC1 ZINC000183552008 416245331 /nfs/dbraw/zinc/24/53/31/416245331.db2.gz YJOGHDIYZFEZSS-UHFFFAOYSA-N 1 0 303.366 0.321 10 0 DCAERO CC(C)[C@@H](NC(N)=O)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000183553049 416245511 /nfs/dbraw/zinc/24/55/11/416245511.db2.gz RHLGFBVJOSRATA-CQSZACIVSA-N 1 0 319.409 0.813 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)NCc1cc(C(N)=O)co1 ZINC000190282157 416277875 /nfs/dbraw/zinc/27/78/75/416277875.db2.gz VGGMJUQPHASIRL-UHFFFAOYSA-N 1 0 312.370 0.146 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000183572924 416246260 /nfs/dbraw/zinc/24/62/60/416246260.db2.gz UMRJIXLOUWJQHS-CYBMUJFWSA-N 1 0 304.394 0.741 10 0 DCAERO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NC)C12CCOCC2 ZINC000187175686 416261009 /nfs/dbraw/zinc/26/10/09/416261009.db2.gz UDDDZYMBJZYZNC-RYUDHWBXSA-N 1 0 306.428 0.099 10 0 DCAERO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000190377595 416278279 /nfs/dbraw/zinc/27/82/79/416278279.db2.gz FSYCZEYVSKBPDO-GFCCVEGCSA-N 1 0 308.444 0.130 10 0 DCAERO COC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358693404 416270000 /nfs/dbraw/zinc/27/00/00/416270000.db2.gz ZXMWXQFLSOOIJG-GOEBONIOSA-N 1 0 307.394 0.740 10 0 DCAERO CCc1noc(C)c1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190041300 416273342 /nfs/dbraw/zinc/27/33/42/416273342.db2.gz 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ZINC000358958673 416298760 /nfs/dbraw/zinc/29/87/60/416298760.db2.gz PHSIGCBFJPNUSO-UHFFFAOYSA-N 1 0 310.446 0.445 10 0 DCAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247169852 416332465 /nfs/dbraw/zinc/33/24/65/416332465.db2.gz RCAINQAFBWNGTM-BZUAXINKSA-N 1 0 309.454 0.897 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCOC2)[C@@H]1c1ccccc1 ZINC000248139933 416333214 /nfs/dbraw/zinc/33/32/14/416333214.db2.gz YGCGVOBBOJBXHV-ZOBUZTSGSA-N 1 0 319.405 0.882 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000262148461 416336091 /nfs/dbraw/zinc/33/60/91/416336091.db2.gz HPGRLQVFIKNGSC-OWIUFQIYSA-N 1 0 300.402 0.977 10 0 DCAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262301238 416336904 /nfs/dbraw/zinc/33/69/04/416336904.db2.gz BNCQZWRIDXRGAJ-HUUCEWRRSA-N 1 0 322.453 0.140 10 0 DCAERO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000262649332 416336916 /nfs/dbraw/zinc/33/69/16/416336916.db2.gz 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/nfs/dbraw/zinc/55/85/27/416558527.db2.gz ZRDVCVFXCZPADK-TZMCWYRMSA-N 1 0 317.389 0.982 10 0 DCAERO NC(=O)CCC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000535046242 416514059 /nfs/dbraw/zinc/51/40/59/416514059.db2.gz ZKQYJLOYUPSQOH-LSDHHAIUSA-N 1 0 314.426 0.520 10 0 DCAERO CS[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]1N(C)C ZINC000539482319 416579995 /nfs/dbraw/zinc/57/99/95/416579995.db2.gz DKOHLKJWAAPRPR-ZQDZILKHSA-N 1 0 318.483 0.520 10 0 DCAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CN2CCOCC2=O)C1 ZINC000369139817 416728552 /nfs/dbraw/zinc/72/85/52/416728552.db2.gz LLETYOPNSONUEP-AWEZNQCLSA-N 1 0 317.389 0.365 10 0 DCAERO C[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1CC(C)(C)O ZINC000369760816 416824379 /nfs/dbraw/zinc/82/43/79/416824379.db2.gz RJGXNRSOJWZMNI-LRDDRELGSA-N 1 0 311.426 0.206 10 0 DCAERO CCCn1cc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000430095307 287343378 /nfs/dbraw/zinc/34/33/78/287343378.db2.gz CKRKEGMBRDFIRU-ZDUSSCGKSA-N 1 0 300.428 0.759 10 0 DCAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000447347328 416993165 /nfs/dbraw/zinc/99/31/65/416993165.db2.gz KKMYSHOEVGMRRN-MGPQQGTHSA-N 1 0 302.415 0.389 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2cncnc2)C1 ZINC000616633953 417088617 /nfs/dbraw/zinc/08/86/17/417088617.db2.gz HXCQUTVKUKTDNF-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)c1nscc1Br ZINC000404822945 417120273 /nfs/dbraw/zinc/12/02/73/417120273.db2.gz UAXWFKFEFJSIMM-SNVBAGLBSA-N 1 0 322.228 0.948 10 0 DCAERO [NH3+]CC1(O)CCN(C(=O)c2nscc2Br)CC1 ZINC000404793636 417120868 /nfs/dbraw/zinc/12/08/68/417120868.db2.gz IDISCNYOSUZJML-UHFFFAOYSA-N 1 0 320.212 0.831 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC2(CC2(F)F)CC1 ZINC000405049328 417121548 /nfs/dbraw/zinc/12/15/48/417121548.db2.gz GXHVBVNXFYXBEN-JTQLQIEISA-N 1 0 310.366 0.426 10 0 DCAERO CC1CCC(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000407408383 417128658 /nfs/dbraw/zinc/12/86/58/417128658.db2.gz HCUJCGXRDDTWSU-UHFFFAOYSA-N 1 0 304.456 0.941 10 0 DCAERO C[C@@H](Oc1ccccn1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000449179302 417129626 /nfs/dbraw/zinc/12/96/26/417129626.db2.gz VKKJQBLXHKGMRT-CQSZACIVSA-N 1 0 306.410 0.555 10 0 DCAERO COC(=O)[C@]1(C)C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C[C@H]1C ZINC000407965257 417129807 /nfs/dbraw/zinc/12/98/07/417129807.db2.gz MEADVBPJRUEJLG-HACGYAERSA-N 1 0 324.421 0.897 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000408053565 417137411 /nfs/dbraw/zinc/13/74/11/417137411.db2.gz YKZISNYVDMVJTO-JGGQBBKZSA-N 1 0 311.426 0.301 10 0 DCAERO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)n1 ZINC000408043601 417138517 /nfs/dbraw/zinc/13/85/17/417138517.db2.gz KTVYGTJSZHDBIF-JMSVASOKSA-N 1 0 310.398 0.888 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000637642332 417153243 /nfs/dbraw/zinc/15/32/43/417153243.db2.gz UZKWRZJWHDVXEA-UWVGGRQHSA-N 1 0 320.319 0.727 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408301859 417154510 /nfs/dbraw/zinc/15/45/10/417154510.db2.gz CVHUWDDZDXAFOD-MCIONIFRSA-N 1 0 319.471 0.803 10 0 DCAERO C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000408288686 417154913 /nfs/dbraw/zinc/15/49/13/417154913.db2.gz ZMOUSBCGKAQTGU-RYUDHWBXSA-N 1 0 303.428 0.140 10 0 DCAERO CC(=O)c1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000528056431 417299657 /nfs/dbraw/zinc/29/96/57/417299657.db2.gz IAPAHPRVGOHRQQ-UHFFFAOYSA-N 1 0 312.391 0.675 10 0 DCAERO C[C@](C[NH3+])(NC(=O)Nc1ccn(Cc2ccncc2)n1)C1CC1 ZINC000415186912 417337278 /nfs/dbraw/zinc/33/72/78/417337278.db2.gz LPUMCHMDAROTKH-MRXNPFEDSA-N 1 0 314.393 1.575 10 0 DCAERO O=S(=O)(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000643771374 417343560 /nfs/dbraw/zinc/34/35/60/417343560.db2.gz QESLMJZIJUWGTF-TUAOUCFPSA-N 1 0 300.380 0.546 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000638276808 417403792 /nfs/dbraw/zinc/40/37/92/417403792.db2.gz QFLAWZYWZKIDRQ-NUEKZKHPSA-N 1 0 321.421 0.366 10 0 DCAERO 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/nfs/dbraw/zinc/97/87/21/545978721.db2.gz AVVOYMNJZMYEFA-TZMCWYRMSA-N 1 0 304.394 0.382 10 0 DCAERO COc1ccc(SCCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262238708 545981235 /nfs/dbraw/zinc/98/12/35/545981235.db2.gz KTFVYOAGHUZISH-RISCZKNCSA-N 1 0 310.419 0.874 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(N2CCCC2=O)ccc1F ZINC000262306402 545982927 /nfs/dbraw/zinc/98/29/27/545982927.db2.gz QAEVCWXIJRXTEW-IINYFYTJSA-N 1 0 321.352 0.263 10 0 DCAERO O=C(CCc1ccc2c(c1)OCCO2)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262312142 545982982 /nfs/dbraw/zinc/98/29/82/545982982.db2.gz QMMKWUQXDGWHBR-STQMWFEESA-N 1 0 306.362 0.087 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Br)cs1 ZINC000262314914 545983420 /nfs/dbraw/zinc/98/34/20/545983420.db2.gz QTVZPRRTLYEOBP-HTRCEHHLSA-N 1 0 305.197 0.821 10 0 DCAERO Cc1ncncc1C(=O)NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000888102890 661182965 /nfs/dbraw/zinc/18/29/65/661182965.db2.gz SSBGJQCLZYUXDX-CQSZACIVSA-N 1 0 313.361 0.851 10 0 DCAERO CCOC(=O)c1cc(S(=O)(=O)NCCC[NH3+])ccc1F ZINC000122681145 667671330 /nfs/dbraw/zinc/67/13/30/667671330.db2.gz ICABYBVHGWBSRE-UHFFFAOYSA-N 1 0 304.343 0.630 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000262300358 657510582 /nfs/dbraw/zinc/51/05/82/657510582.db2.gz NUVGNQNGMYKKJQ-OAHLLOKOSA-N 1 0 315.373 0.487 10 0 DCAERO Cc1nc(C)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)s1 ZINC000725037299 658043688 /nfs/dbraw/zinc/04/36/88/658043688.db2.gz MEYRRYSXYMUJDP-LLVKDONJSA-N 1 0 303.453 0.626 10 0 DCAERO O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723660354 658891792 /nfs/dbraw/zinc/89/17/92/658891792.db2.gz OYUULUVAGLBFST-MELADBBJSA-N 1 0 302.440 0.817 10 0 DCAERO C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1CCO ZINC000188720443 659342539 /nfs/dbraw/zinc/34/25/39/659342539.db2.gz DUCIBBRQUDOBRZ-GMMCIKNFSA-N 1 0 310.419 0.986 10 0 DCAERO C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000722215595 659365389 /nfs/dbraw/zinc/36/53/89/659365389.db2.gz CDHLJFAXPWAZKO-VIFPVBQESA-N 1 0 318.420 0.042 10 0 DCAERO Cn1c2ccc(C[NH2+]CCS(C)(=O)=O)cc2sc1=O ZINC000192507107 659417440 /nfs/dbraw/zinc/41/74/40/659417440.db2.gz BWXVWPFFFAJJJN-UHFFFAOYSA-N 1 0 300.405 0.734 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182133791 665737114 /nfs/dbraw/zinc/73/71/14/665737114.db2.gz ZWCVBTGZTBSLOZ-RGDDUWESSA-N 1 0 305.378 0.763 10 0 DCAERO O=C(CN1CC[NH2+]C[C@H]1c1cccnc1)NC(=O)NC1CC1 ZINC000261678700 661387408 /nfs/dbraw/zinc/38/74/08/661387408.db2.gz IETTVVRKZLIURC-ZDUSSCGKSA-N 1 0 303.366 0.016 10 0 DCAERO COc1ccccc1[C@@H](O)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000178751542 661535748 /nfs/dbraw/zinc/53/57/48/661535748.db2.gz MINVOZROJLUUND-YPMHNXCESA-N 1 0 310.419 0.940 10 0 DCAERO CC(C)([NH3+])CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178773717 661550509 /nfs/dbraw/zinc/55/05/09/661550509.db2.gz ZLHHDJQDLJAIIV-OAHLLOKOSA-N 1 0 305.422 0.992 10 0 DCAERO COc1ccccc1N1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261820085 661728119 /nfs/dbraw/zinc/72/81/19/661728119.db2.gz KCMJHEODBUVFKR-ZDUSSCGKSA-N 1 0 319.405 0.898 10 0 DCAERO C[C@@H](C(=O)NC1CCCCC1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261918330 661827291 /nfs/dbraw/zinc/82/72/91/661827291.db2.gz HJRLKMGWHCJSKN-ZDUSSCGKSA-N 1 0 310.442 0.187 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000337165502 662045184 /nfs/dbraw/zinc/04/51/84/662045184.db2.gz XQKPJPGQQFPHEG-HWWQOWPSSA-N 1 0 322.409 0.306 10 0 DCAERO CCOC(=O)C1CCC(NC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262390207 662361725 /nfs/dbraw/zinc/36/17/25/662361725.db2.gz ZRUJSVFLASSWOB-UHFFFAOYSA-N 1 0 312.410 0.980 10 0 DCAERO Cc1c2ccccc2oc(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262419670 662376438 /nfs/dbraw/zinc/37/64/38/662376438.db2.gz ZZEZUKGHWOIPNE-JQWIXIFHSA-N 1 0 302.330 0.412 10 0 DCAERO CCOC(=O)c1cnc(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000897535831 662855842 /nfs/dbraw/zinc/85/58/42/662855842.db2.gz PIXWGMDZAPMJDC-ZYHUDNBSSA-N 1 0 322.365 0.399 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250939215 663139875 /nfs/dbraw/zinc/13/98/75/663139875.db2.gz ICLAEGCBRJIFLR-RWMBFGLXSA-N 1 0 317.455 0.292 10 0 DCAERO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000900591675 663258206 /nfs/dbraw/zinc/25/82/06/663258206.db2.gz NRGYMDIKDRCTBW-CZUORRHYSA-N 1 0 319.409 0.335 10 0 DCAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000900603252 663260156 /nfs/dbraw/zinc/26/01/56/663260156.db2.gz MUINZCSAQIIFEE-YCPHGPKFSA-N 1 0 306.410 0.810 10 0 DCAERO CC1(C)[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@H]2CCO[C@H]21 ZINC000721882681 663454179 /nfs/dbraw/zinc/45/41/79/663454179.db2.gz NUKJNLLCLUXULG-JHJVBQTASA-N 1 0 302.440 0.815 10 0 DCAERO [NH3+]C1CCN(CCNS(=O)(=O)N2CCCCCC2)CC1 ZINC000321138794 666512620 /nfs/dbraw/zinc/51/26/20/666512620.db2.gz DKULRZMPFMYVSH-UHFFFAOYSA-N 1 0 304.460 0.120 10 0 DCAERO COC(=O)c1cn(CN2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000165241803 664407450 /nfs/dbraw/zinc/40/74/50/664407450.db2.gz MHPMVGUGYSXWQT-UHFFFAOYSA-N 1 0 307.398 0.973 10 0 DCAERO Cc1nn(C)c2cnn(CCC(=O)NC3CC[NH+](C)CC3)c12 ZINC000223852282 664425167 /nfs/dbraw/zinc/42/51/67/664425167.db2.gz BQUMMWDQTPILKK-UHFFFAOYSA-N 1 0 304.398 0.679 10 0 DCAERO CC[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000171565221 664609968 /nfs/dbraw/zinc/60/99/68/664609968.db2.gz FVEODLGBNNMZQK-RBSFLKMASA-N 1 0 313.442 0.011 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@@H]1C ZINC000185000515 666316352 /nfs/dbraw/zinc/31/63/52/666316352.db2.gz JZOWYYZKEFVRQD-QWHCGFSZSA-N 1 0 309.414 0.059 10 0 DCAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700621648 666748415 /nfs/dbraw/zinc/74/84/15/666748415.db2.gz NZHOLEICMKKZIK-LCGIIJARSA-N 1 0 324.446 0.254 10 0 DCAERO C[C@@H]1CC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C[NH2+]1 ZINC000700915710 666779521 /nfs/dbraw/zinc/77/95/21/666779521.db2.gz OVWNFZLEUNMAKR-GMTAPVOTSA-N 1 0 306.453 0.163 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1Br ZINC000702340416 666944500 /nfs/dbraw/zinc/94/45/00/666944500.db2.gz JITBLEIQFYSMEM-NSHDSACASA-N 1 0 300.200 0.954 10 0 DCAERO O=C1CCCN1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000118960190 667045980 /nfs/dbraw/zinc/04/59/80/667045980.db2.gz WCCVQHIGYGFPAY-MRXNPFEDSA-N 1 0 303.406 0.918 10 0 DCAERO Cn1ncc(N2CCc3sc(C[NH3+])nc3C2)c(Cl)c1=O ZINC000710137118 667445929 /nfs/dbraw/zinc/44/59/29/667445929.db2.gz DUEDCFRKGANHSZ-UHFFFAOYSA-N 1 0 311.798 0.912 10 0 DCAERO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000886027722 667725564 /nfs/dbraw/zinc/72/55/64/667725564.db2.gz KNJOMIMACREYSN-QWHCGFSZSA-N 1 0 316.427 0.040 10 0 DCAERO Cc1noc(C[C@]2(O)CCC[N@@H+](CCc3ccnn3C)C2)n1 ZINC000886080016 667729706 /nfs/dbraw/zinc/72/97/06/667729706.db2.gz KMSPBTWGKHTHME-OAHLLOKOSA-N 1 0 305.382 0.724 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000742424539 667791192 /nfs/dbraw/zinc/79/11/92/667791192.db2.gz IZOGXARCHUUEMZ-LBPRGKRZSA-N 1 0 304.398 0.565 10 0 DCAERO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717048360 667837930 /nfs/dbraw/zinc/83/79/30/667837930.db2.gz NBXCLGKVHROXSI-VIFPVBQESA-N 1 0 309.338 0.815 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cccnc2)CC[C@@H]1C(F)(F)F ZINC000717079970 668408622 /nfs/dbraw/zinc/40/86/22/668408622.db2.gz JATZVIQGPUQBPW-VHSXEESVSA-N 1 0 309.313 0.982 10 0 DCAERO CC1(C)CO[C@@H](CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000717277020 669792501 /nfs/dbraw/zinc/79/25/01/669792501.db2.gz HBTMGYIEQHSXOQ-RYUDHWBXSA-N 1 0 306.428 0.099 10 0 DCAERO C[NH+](C)C[C@@]1(O)CCN(c2ncnc(F)c2Br)C1 ZINC000713663727 670165220 /nfs/dbraw/zinc/16/52/20/670165220.db2.gz SUMRSYAHRQITRR-NSHDSACASA-N 1 0 319.178 0.881 10 0 DCAERO Cn1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(Br)n1 ZINC000714087564 670177486 /nfs/dbraw/zinc/17/74/86/670177486.db2.gz QBXJSDWUEHKFNY-MNOVXSKESA-N 1 0 315.215 0.745 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1ncc(Br)s1 ZINC000714933958 670196554 /nfs/dbraw/zinc/19/65/54/670196554.db2.gz CWWIUNKCRTZFGX-ZETCQYMHSA-N 1 0 320.212 0.900 10 0 DCAERO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ncc(Br)s1 ZINC000714935602 670196579 /nfs/dbraw/zinc/19/65/79/670196579.db2.gz QUCPOOSHGIXIGI-SSDOTTSWSA-N 1 0 320.212 0.900 10 0 DCAERO C[NH+](C)C[C@H](CO)NC(=O)c1ncsc1Br ZINC000716697484 670270909 /nfs/dbraw/zinc/27/09/09/670270909.db2.gz XMURKJWHPOLLLX-ZCFIWIBFSA-N 1 0 308.201 0.558 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193408942 670279568 /nfs/dbraw/zinc/27/95/68/670279568.db2.gz TYLOYDGBWMMQFY-RYUDHWBXSA-N 1 0 300.428 0.815 10 0 DCAERO CC(=O)N[C@@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000113241081 670697981 /nfs/dbraw/zinc/69/79/81/670697981.db2.gz HUYNSEVYAIVQEH-HUUCEWRRSA-N 1 0 316.405 0.956 10 0 DCAERO CN(C)[C@@H]1C[N@H+](CCCc2cncn2C)C[C@@H]1n1ccnn1 ZINC000859760279 671144927 /nfs/dbraw/zinc/14/49/27/671144927.db2.gz YCYLIZJEUNOONJ-CABCVRRESA-N 1 0 303.414 0.431 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H]1C(F)(F)F ZINC000720802504 685315574 /nfs/dbraw/zinc/31/55/74/685315574.db2.gz CIAZSOOUBZPJNH-BDAKNGLRSA-N 1 0 301.334 0.396 10 0 DCAERO CC(C)N(C)S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246207023 685162297 /nfs/dbraw/zinc/16/22/97/685162297.db2.gz REGMAQZALXTDQP-ZDUSSCGKSA-N 1 0 321.487 0.596 10 0 DCAERO COCCOC[C@@H]1CC[N@H+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000247477553 685171786 /nfs/dbraw/zinc/17/17/86/685171786.db2.gz UBWNFKSQABATNR-ILXRZTDVSA-N 1 0 322.405 0.880 10 0 DCAERO CC[NH+]1CCN(C2CN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC000585561995 1158113106 /nfs/dbraw/zinc/11/31/06/1158113106.db2.gz QCFWXVQEMSLZHV-UHFFFAOYSA-N 1 0 314.393 0.420 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)Cn2ncc(=O)c3ccccc32)CC[N@@H+]1C ZINC000332893029 1158254314 /nfs/dbraw/zinc/25/43/14/1158254314.db2.gz PDXVUBYXSNDQPN-STQMWFEESA-N 1 0 314.389 0.995 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC(=O)Nc1ccccc1 ZINC000261636229 1184581419 /nfs/dbraw/zinc/58/14/19/1184581419.db2.gz DNVJWLOFQZQFNK-HNNXBMFYSA-N 1 0 320.393 0.183 10 0 DCAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)C(=O)N1CCOCC1 ZINC000262572198 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/nfs/dbraw/zinc/95/33/05/395953305.db2.gz XXZDYKVEGCOPRG-DGCLKSJQSA-N 1 0 321.425 0.766 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@H](C)C(=O)OC ZINC000246601769 395953457 /nfs/dbraw/zinc/95/34/57/395953457.db2.gz ZPIDZIJUPDHNKF-YNEHKIRRSA-N 1 0 318.439 0.684 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)CC(C)C ZINC000139841704 395955326 /nfs/dbraw/zinc/95/53/26/395955326.db2.gz DIXXVMPQHPDCRL-ZIAGYGMSSA-N 1 0 301.431 0.803 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000140450878 395956866 /nfs/dbraw/zinc/95/68/66/395956866.db2.gz JTXXGSNQBBBUGP-JTQLQIEISA-N 1 0 302.334 0.786 10 0 DCAERO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)cn1 ZINC000246795598 395957996 /nfs/dbraw/zinc/95/79/96/395957996.db2.gz ASHOFJCVHHJUAN-FVQBIDKESA-N 1 0 309.410 0.766 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccccc2F)C[C@@H]1C ZINC000247095411 395966781 /nfs/dbraw/zinc/96/67/81/395966781.db2.gz HXLFALDGGLACRS-KBPBESRZSA-N 1 0 323.412 0.829 10 0 DCAERO 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0.336 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000261735016 396060983 /nfs/dbraw/zinc/06/09/83/396060983.db2.gz RQFAMIFQQIYHGU-UHFFFAOYSA-N 1 0 309.435 0.973 10 0 DCAERO C[C@@]1(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]C1 ZINC000261776853 396065091 /nfs/dbraw/zinc/06/50/91/396065091.db2.gz NNYFNGORGXETDR-MRXNPFEDSA-N 1 0 303.410 0.302 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cn(C)nc1C ZINC000249261002 396004601 /nfs/dbraw/zinc/00/46/01/396004601.db2.gz ZBHPCFAMALZGLX-STQMWFEESA-N 1 0 319.409 0.752 10 0 DCAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)no1 ZINC000249864971 396013043 /nfs/dbraw/zinc/01/30/43/396013043.db2.gz HOQFKWUVIIFHAV-CABCVRRESA-N 1 0 324.425 0.326 10 0 DCAERO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@H]1CN(C)CCO1)C2 ZINC000250564658 396015337 /nfs/dbraw/zinc/01/53/37/396015337.db2.gz SXIHFQUUWOHBBC-ZFWWWQNUSA-N 1 0 320.389 0.693 10 0 DCAERO CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000152992190 396018625 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/nfs/dbraw/zinc/10/32/80/396103280.db2.gz DRMOURGZVKUBOT-ZDUSSCGKSA-N 1 0 320.393 0.487 10 0 DCAERO CNC(=O)CCOC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000262456809 396141931 /nfs/dbraw/zinc/14/19/31/396141931.db2.gz IGGBQBYDBJNAFZ-UHFFFAOYSA-N 1 0 311.426 0.792 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)n(C)n1 ZINC000262173395 396106891 /nfs/dbraw/zinc/10/68/91/396106891.db2.gz HYFCYSNLDNMJQQ-CQSZACIVSA-N 1 0 314.393 0.709 10 0 DCAERO COC[C@]1(CNS(=O)(=O)c2cc(C)cnc2N)CCC[NH2+]1 ZINC000262191047 396108633 /nfs/dbraw/zinc/10/86/33/396108633.db2.gz CHEBCCUOCXJKFF-CYBMUJFWSA-N 1 0 314.411 0.019 10 0 DCAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCNC(=O)CC1 ZINC000171574523 396118772 /nfs/dbraw/zinc/11/87/72/396118772.db2.gz MXJDYZZEHKETHE-ZDUSSCGKSA-N 1 0 320.393 0.948 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000262308050 396121413 /nfs/dbraw/zinc/12/14/13/396121413.db2.gz CLSIZNHCDNYFCG-GHMZBOCLSA-N 1 0 324.406 0.451 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000171764565 396124226 /nfs/dbraw/zinc/12/42/26/396124226.db2.gz ZQLLVCIJQNWMTO-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO COC[C@@]1(CNS(=O)(=O)c2nc(C)c(C)s2)CCC[NH2+]1 ZINC000262327078 396124523 /nfs/dbraw/zinc/12/45/23/396124523.db2.gz RDLFHDVDISTMJV-LBPRGKRZSA-N 1 0 319.452 0.807 10 0 DCAERO Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000262352932 396129603 /nfs/dbraw/zinc/12/96/03/396129603.db2.gz JJCYRKGVLSBFDL-LSDHHAIUSA-N 1 0 305.426 0.567 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261892525 396076454 /nfs/dbraw/zinc/07/64/54/396076454.db2.gz VQGRNERGRFJVGS-BONVTDFDSA-N 1 0 308.426 0.838 10 0 DCAERO NC(=O)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCOCC1 ZINC000262438415 396140489 /nfs/dbraw/zinc/14/04/89/396140489.db2.gz MQNGMVRRMUVRAH-AGIUHOORSA-N 1 0 309.410 0.305 10 0 DCAERO CCC(=O)N1CC[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000162124950 396079100 /nfs/dbraw/zinc/07/91/00/396079100.db2.gz XZUFTIMQQRKGCC-SOUVJXGZSA-N 1 0 323.437 0.424 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CC34CC[NH2+]CC4)C2)cn1 ZINC000261929145 396080331 /nfs/dbraw/zinc/08/03/31/396080331.db2.gz KSOBKROCIYXGPW-UKRRQHHQSA-N 1 0 317.437 0.895 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)N1CCOCC1 ZINC000261938659 396081798 /nfs/dbraw/zinc/08/17/98/396081798.db2.gz DLVYFCMPAALCDX-UHFFFAOYSA-N 1 0 313.423 0.067 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CN2Cc3ccccc3C2=O)n1 ZINC000263200672 396206192 /nfs/dbraw/zinc/20/61/92/396206192.db2.gz JBGBHDQNVTZCBW-ZDUSSCGKSA-N 1 0 313.361 0.802 10 0 DCAERO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263229833 396207627 /nfs/dbraw/zinc/20/76/27/396207627.db2.gz NGNJHVQZNNILDD-OBJOEFQTSA-N 1 0 302.440 0.787 10 0 DCAERO CN(CC[NH+](C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000176133899 396150686 /nfs/dbraw/zinc/15/06/86/396150686.db2.gz WTDDMHRSXOQTAT-UHFFFAOYSA-N 1 0 314.411 0.037 10 0 DCAERO COc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1-n1nnnc1C ZINC000262579507 396157787 /nfs/dbraw/zinc/15/77/87/396157787.db2.gz UEUFTQJGRLDYQZ-VIFPVBQESA-N 1 0 316.365 0.773 10 0 DCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270659 396210303 /nfs/dbraw/zinc/21/03/03/396210303.db2.gz SDGMUVDVCPHOGP-GOEBONIOSA-N 1 0 304.369 0.740 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CCO2)cn1 ZINC000279255053 396161641 /nfs/dbraw/zinc/16/16/41/396161641.db2.gz UYRIZFBKMZTOSF-HUUCEWRRSA-N 1 0 304.394 0.947 10 0 DCAERO Cc1c(C(=O)NC[C@H]2CCCC[C@H]2O)nnn1C1CC[NH2+]CC1 ZINC000262620130 396162875 /nfs/dbraw/zinc/16/28/75/396162875.db2.gz FXXBMNWVXFWBQS-TZMCWYRMSA-N 1 0 321.425 0.792 10 0 DCAERO CCOC(=O)COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263298493 396212961 /nfs/dbraw/zinc/21/29/61/396212961.db2.gz WRPIKFQPUIJNFT-HIFRSBDPSA-N 1 0 308.378 0.298 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000177266698 396171376 /nfs/dbraw/zinc/17/13/76/396171376.db2.gz NRHHNHAQCQADIF-BBRMVZONSA-N 1 0 303.406 0.938 10 0 DCAERO CNC(=O)c1ccc(NCC2([NH+]3CCCC3)CCOCC2)nn1 ZINC000074748356 396171394 /nfs/dbraw/zinc/17/13/94/396171394.db2.gz FSXCKOYGUDOPCO-UHFFFAOYSA-N 1 0 319.409 0.893 10 0 DCAERO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000263278831 396211198 /nfs/dbraw/zinc/21/11/98/396211198.db2.gz JHNRKSXVESAWHY-UHFFFAOYSA-N 1 0 302.422 0.534 10 0 DCAERO CCNC(=O)C(C)(C)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262788622 396182280 /nfs/dbraw/zinc/18/22/80/396182280.db2.gz NZTLJKVKPKGNER-GFCCVEGCSA-N 1 0 321.425 0.700 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)NCc2ccc(C)cc2)CC1 ZINC000075959616 396189946 /nfs/dbraw/zinc/18/99/46/396189946.db2.gz BVYOTIFXDLIPEB-QGZVFWFLSA-N 1 0 319.449 1.000 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccnc(N3CCCC3)n2)n1 ZINC000263287001 396211981 /nfs/dbraw/zinc/21/19/81/396211981.db2.gz VEHAHLWFADMRIX-LBPRGKRZSA-N 1 0 315.381 0.703 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000262958671 396194868 /nfs/dbraw/zinc/19/48/68/396194868.db2.gz WHYJXYRVKZWEIL-WCQYABFASA-N 1 0 303.366 0.808 10 0 DCAERO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263002783 396197055 /nfs/dbraw/zinc/19/70/55/396197055.db2.gz OXUCKTFPDJFQRT-CYBMUJFWSA-N 1 0 319.396 0.989 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccccn3)CC[C@@H]21 ZINC000178549780 396198508 /nfs/dbraw/zinc/19/85/08/396198508.db2.gz IJZCPBSTRISNRI-ZFWWWQNUSA-N 1 0 316.405 0.754 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000263076577 396200526 /nfs/dbraw/zinc/20/05/26/396200526.db2.gz XDHFFPWAXPYPSV-CYBMUJFWSA-N 1 0 317.380 0.554 10 0 DCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000263148001 396202917 /nfs/dbraw/zinc/20/29/17/396202917.db2.gz CWUIXGPWFFVIOH-NXEZZACHSA-N 1 0 316.304 0.687 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cnn(-c3ccccc3)n2)n1 ZINC000263173538 396204348 /nfs/dbraw/zinc/20/43/48/396204348.db2.gz GANSAFYGHUCLIM-CYBMUJFWSA-N 1 0 311.349 0.893 10 0 DCAERO CC[C@H]1CN(C(=O)COCCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000181101971 396237121 /nfs/dbraw/zinc/23/71/21/396237121.db2.gz LXMYYYGIHXSYPV-KGLIPLIRSA-N 1 0 302.415 0.343 10 0 DCAERO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc2c(c1)OCO2 ZINC000182278022 396249056 /nfs/dbraw/zinc/24/90/56/396249056.db2.gz VQMQBGVBNURFFL-JTQLQIEISA-N 1 0 317.345 0.664 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)CCO1 ZINC000183039500 396258878 /nfs/dbraw/zinc/25/88/78/396258878.db2.gz QPXKEYVBLPHAOL-CYBMUJFWSA-N 1 0 315.377 0.670 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000183102353 396261336 /nfs/dbraw/zinc/26/13/36/396261336.db2.gz FUGRZGZFKBBTLG-CYBMUJFWSA-N 1 0 320.393 0.267 10 0 DCAERO CC[N@H+](CC(=O)N1CCN(c2cc(OC)ncn2)CC1)C1CC1 ZINC000183817594 396276193 /nfs/dbraw/zinc/27/61/93/396276193.db2.gz OEGKYPNRYJOJAU-UHFFFAOYSA-N 1 0 319.409 0.618 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000263688404 396223073 /nfs/dbraw/zinc/22/30/73/396223073.db2.gz GCTDOWUEMKRIJA-CYBMUJFWSA-N 1 0 304.398 0.402 10 0 DCAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCn2ccnn2)c1 ZINC000184273088 396289406 /nfs/dbraw/zinc/28/94/06/396289406.db2.gz JZGRRVJNAYYQRX-LBPRGKRZSA-N 1 0 323.422 0.927 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(CO)c2)C[C@@H]1C ZINC000185995892 396339338 /nfs/dbraw/zinc/33/93/38/396339338.db2.gz IRDVTNHDKIMALM-UONOGXRCSA-N 1 0 321.421 0.775 10 0 DCAERO COc1ccc(O)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000285907616 396361388 /nfs/dbraw/zinc/36/13/88/396361388.db2.gz TWLUHKCIMHISJQ-DZGCQCFKSA-N 1 0 306.362 0.946 10 0 DCAERO COCCC1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CCCCC1 ZINC000187452886 396369990 /nfs/dbraw/zinc/36/99/90/396369990.db2.gz XGEXPDHQKNWCPH-AWEZNQCLSA-N 1 0 323.437 0.616 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187438476 396369997 /nfs/dbraw/zinc/36/99/97/396369997.db2.gz NXAOIERPIOKNAI-JSGCOSHPSA-N 1 0 308.426 0.779 10 0 DCAERO O=C(CCC(=O)N1CCOCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186497393 396351043 /nfs/dbraw/zinc/35/10/43/396351043.db2.gz GPVQRVFVZGRTKA-ZDUSSCGKSA-N 1 0 309.410 0.368 10 0 DCAERO O=C(CNC(=O)c1cccc(F)c1)N1CC[NH+]2CCC1CC2 ZINC000188848484 396387297 /nfs/dbraw/zinc/38/72/97/396387297.db2.gz XGLMMGDMUYRJDR-UHFFFAOYSA-N 1 0 305.353 0.862 10 0 DCAERO O=C(NC1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C1)C1CC1 ZINC000190110692 396402369 /nfs/dbraw/zinc/40/23/69/396402369.db2.gz REHPJUSTGXYGPS-UHFFFAOYSA-N 1 0 306.410 0.533 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[C@H](CO)C2)C1 ZINC000190535801 396407547 /nfs/dbraw/zinc/40/75/47/396407547.db2.gz FKOHMGUGLVMQSU-QLFBSQMISA-N 1 0 313.442 0.613 10 0 DCAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(N)(=O)=O)C1 ZINC000190624488 396409028 /nfs/dbraw/zinc/40/90/28/396409028.db2.gz ALDWILJJKFMPOM-JTQLQIEISA-N 1 0 304.441 0.409 10 0 DCAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000191442833 396419775 /nfs/dbraw/zinc/41/97/75/396419775.db2.gz NYABTJJEXONNFP-UHFFFAOYSA-N 1 0 314.426 0.927 10 0 DCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000192111524 396429890 /nfs/dbraw/zinc/42/98/90/396429890.db2.gz AFQGNYCVUIYAHA-KBPBESRZSA-N 1 0 324.469 0.372 10 0 DCAERO C[C@H]1C(=O)NCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000188097826 396379113 /nfs/dbraw/zinc/37/91/13/396379113.db2.gz XYIIVLFAAZVEIN-AWEZNQCLSA-N 1 0 323.437 0.759 10 0 DCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000372556682 396527280 /nfs/dbraw/zinc/52/72/80/396527280.db2.gz KFYWWGKDMFTDMM-ZIAGYGMSSA-N 1 0 320.455 0.274 10 0 DCAERO CC[NH+]1CCN(CC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000530576504 396578786 /nfs/dbraw/zinc/57/87/86/396578786.db2.gz VRUAVRIDGCJBLU-CQSZACIVSA-N 1 0 321.425 0.496 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000533614401 396609109 /nfs/dbraw/zinc/60/91/09/396609109.db2.gz LZUCLLATNQDOQY-SNVBAGLBSA-N 1 0 307.398 0.433 10 0 DCAERO CC[C@@H](CO)[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000293894976 396639600 /nfs/dbraw/zinc/63/96/00/396639600.db2.gz NDODOSFFHOWYRR-RYUDHWBXSA-N 1 0 306.362 0.346 10 0 DCAERO COC(=O)c1cnc(N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)nc1 ZINC000585814895 396660901 /nfs/dbraw/zinc/66/09/01/396660901.db2.gz IMQCDXFGUMXENM-KBPBESRZSA-N 1 0 320.393 0.953 10 0 DCAERO CSCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374833516 396691076 /nfs/dbraw/zinc/69/10/76/396691076.db2.gz FFIGQRWHYRIQLR-GFCCVEGCSA-N 1 0 308.469 0.476 10 0 DCAERO Cc1cnc([C@H](C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)s1 ZINC000311893626 396762212 /nfs/dbraw/zinc/76/22/12/396762212.db2.gz DOXXJLNZWACICK-UWVGGRQHSA-N 1 0 305.425 0.420 10 0 DCAERO Cn1cccc1C[NH2+]C1CCN(c2nccn(C)c2=O)CC1 ZINC000328621765 396824477 /nfs/dbraw/zinc/82/44/77/396824477.db2.gz ATSRDZVRMOMXQC-UHFFFAOYSA-N 1 0 301.394 0.877 10 0 DCAERO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333869977 396934442 /nfs/dbraw/zinc/93/44/42/396934442.db2.gz RSWUQZQSXGHNDD-KIMNZBGPSA-N 1 0 321.465 0.724 10 0 DCAERO c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)n1 ZINC000376829556 396985010 /nfs/dbraw/zinc/98/50/10/396985010.db2.gz UZOCSAWMOVQKIX-AWEZNQCLSA-N 1 0 303.410 0.988 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1 ZINC000626049342 397061011 /nfs/dbraw/zinc/06/10/11/397061011.db2.gz KRRLUPKGODDPAN-MCIONIFRSA-N 1 0 319.471 0.157 10 0 DCAERO c1c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040801 397159950 /nfs/dbraw/zinc/15/99/50/397159950.db2.gz VJHVKNWEUYUBSV-UONOGXRCSA-N 1 0 305.426 0.889 10 0 DCAERO c1[nH]nc2c1CC[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000631091020 397168506 /nfs/dbraw/zinc/16/85/06/397168506.db2.gz OEVGGKQOYAYGLW-DGCLKSJQSA-N 1 0 302.382 0.685 10 0 DCAERO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc21 ZINC000381433519 397272966 /nfs/dbraw/zinc/27/29/66/397272966.db2.gz CZKDZMVTRBKEQU-NXEZZACHSA-N 1 0 311.407 0.610 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000382453038 397274029 /nfs/dbraw/zinc/27/40/29/397274029.db2.gz GYPIXAFYOHBGCY-JQWIXIFHSA-N 1 0 312.391 0.879 10 0 DCAERO Cn1ncnc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397500946 397312799 /nfs/dbraw/zinc/31/27/99/397312799.db2.gz XUBATQHAUYHMCY-UHFFFAOYSA-N 1 0 315.421 0.932 10 0 DCAERO CNC(=O)NC1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000407989452 397342697 /nfs/dbraw/zinc/34/26/97/397342697.db2.gz XSGUZGILVNATGK-RYUDHWBXSA-N 1 0 311.430 0.430 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408065034 397346640 /nfs/dbraw/zinc/34/66/40/397346640.db2.gz XHCKOWIQKZAKGZ-QPSCCSFWSA-N 1 0 323.437 0.742 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408181009 397349146 /nfs/dbraw/zinc/34/91/46/397349146.db2.gz ZCAICBXIQPROEY-DGCLKSJQSA-N 1 0 324.343 0.871 10 0 DCAERO CC(=O)N1CC[C@](C)(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000614066720 397373997 /nfs/dbraw/zinc/37/39/97/397373997.db2.gz JGURYVMKCYUGQK-HOTGVXAUSA-N 1 0 311.426 0.160 10 0 DCAERO COC(=O)C(C)(C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602443247 397403117 /nfs/dbraw/zinc/40/31/17/397403117.db2.gz BKBQJHPPTPOPQO-ZDUSSCGKSA-N 1 0 307.394 0.514 10 0 DCAERO NS(=O)(=O)[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000370254264 397462481 /nfs/dbraw/zinc/46/24/81/397462481.db2.gz ZDXDPEAURRFUTK-CYBMUJFWSA-N 1 0 302.371 0.957 10 0 DCAERO COC(=O)[C@@]1(C)CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588817 397476645 /nfs/dbraw/zinc/47/66/45/397476645.db2.gz OTMJNHHBLZLPEW-QGZVFWFLSA-N 1 0 323.437 0.757 10 0 DCAERO Cc1nc(CN2CCCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cs1 ZINC000579954320 397599863 /nfs/dbraw/zinc/59/98/63/397599863.db2.gz QPMNISDCZFGJTP-ZIAGYGMSSA-N 1 0 324.450 0.209 10 0 DCAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1CC ZINC000105837531 286090304 /nfs/dbraw/zinc/09/03/04/286090304.db2.gz RBPHJXOJOCPSKG-RYUDHWBXSA-N 1 0 300.403 0.003 10 0 DCAERO CC(C)N(C)S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000049042647 158009863 /nfs/dbraw/zinc/00/98/63/158009863.db2.gz SQGHFPRUAOQTDA-UHFFFAOYSA-N 1 0 300.428 0.736 10 0 DCAERO C[C@H](NC(=O)CN1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051907843 158015171 /nfs/dbraw/zinc/01/51/71/158015171.db2.gz KEZLRXNRBLYNPX-AWEZNQCLSA-N 1 0 324.469 0.387 10 0 DCAERO CCOCCOCC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056971304 158024439 /nfs/dbraw/zinc/02/44/39/158024439.db2.gz IVFGDNJLCQQLGC-OKILXGFUSA-N 1 0 302.415 0.655 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041029 158028756 /nfs/dbraw/zinc/02/87/56/158028756.db2.gz HFJJGXPIZFWORM-UHFFFAOYSA-N 1 0 310.442 0.141 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064305222 158033551 /nfs/dbraw/zinc/03/35/51/158033551.db2.gz SFTSRHPVCIDRKI-UHFFFAOYSA-N 1 0 318.377 0.725 10 0 DCAERO CCN(C)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000072709872 158052618 /nfs/dbraw/zinc/05/26/18/158052618.db2.gz RPLRAWOOKCNNBH-AWEZNQCLSA-N 1 0 318.487 0.285 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000073210552 158055511 /nfs/dbraw/zinc/05/55/11/158055511.db2.gz ZRLUIERCRGYWQZ-UHFFFAOYSA-N 1 0 324.425 0.557 10 0 DCAERO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCOCC1 ZINC000079981935 158080095 /nfs/dbraw/zinc/08/00/95/158080095.db2.gz GIZHEGYLGZFLLA-LSDHHAIUSA-N 1 0 312.458 0.738 10 0 DCAERO Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000090003945 158100709 /nfs/dbraw/zinc/10/07/09/158100709.db2.gz RNUNKUJJOVYNMK-GFCCVEGCSA-N 1 0 305.382 0.226 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000092843830 158117232 /nfs/dbraw/zinc/11/72/32/158117232.db2.gz IVNMOMKMPPDDOJ-RYUDHWBXSA-N 1 0 308.444 0.176 10 0 DCAERO CCCc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)n(C)n1 ZINC000093210916 158118717 /nfs/dbraw/zinc/11/87/17/158118717.db2.gz VNDLVQGCJOLYQU-LBPRGKRZSA-N 1 0 307.398 0.522 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102950182 158128756 /nfs/dbraw/zinc/12/87/56/158128756.db2.gz KPFJVSGMWMMBDR-OAHLLOKOSA-N 1 0 323.437 0.568 10 0 DCAERO O[C@@H](CN1CCOCC1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105902197 158132142 /nfs/dbraw/zinc/13/21/42/158132142.db2.gz UHHGKPYQTVFUEN-OAHLLOKOSA-N 1 0 321.425 0.046 10 0 DCAERO COC(=O)CCNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886424 158132440 /nfs/dbraw/zinc/13/24/40/158132440.db2.gz AKPZBSVMIPPNON-UHFFFAOYSA-N 1 0 308.382 0.274 10 0 DCAERO C[C@@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@H]1C ZINC000109320108 158137203 /nfs/dbraw/zinc/13/72/03/158137203.db2.gz JHZMVIXDMBBPOU-NXEZZACHSA-N 1 0 312.801 0.725 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc[nH]n3)CC2)nc1 ZINC000114414068 158152827 /nfs/dbraw/zinc/15/28/27/158152827.db2.gz IPNRJAGOHQJFKT-UHFFFAOYSA-N 1 0 314.393 0.829 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000114911991 158159308 /nfs/dbraw/zinc/15/93/08/158159308.db2.gz XBVAXKLJJGEQIJ-GFCCVEGCSA-N 1 0 306.414 0.549 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCO1 ZINC000116798038 158167512 /nfs/dbraw/zinc/16/75/12/158167512.db2.gz CSFJIUGFKMZMQX-HNNXBMFYSA-N 1 0 319.405 0.134 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117468553 158171524 /nfs/dbraw/zinc/17/15/24/158171524.db2.gz LSHSEPZOWLLWQD-CQSZACIVSA-N 1 0 300.447 0.690 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000121670708 158212477 /nfs/dbraw/zinc/21/24/77/158212477.db2.gz NZDJYYWFOFECQK-BDAKNGLRSA-N 1 0 304.334 0.312 10 0 DCAERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)CNC(=O)C[NH3+])C2)cc1 ZINC000124963112 158249037 /nfs/dbraw/zinc/24/90/37/158249037.db2.gz RXNMXTGAKDQYHS-WCQYABFASA-N 1 0 305.378 0.475 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1CC ZINC000124917713 158249052 /nfs/dbraw/zinc/24/90/52/158249052.db2.gz YWVFGUWVISZMDK-ZIAGYGMSSA-N 1 0 311.426 0.472 10 0 DCAERO CN1C(=O)N(CC(=O)N[C@H]2CC[NH2+]C2)C(=O)C12CCCCC2 ZINC000127305702 158272175 /nfs/dbraw/zinc/27/21/75/158272175.db2.gz CLSCWRGUFHQSCI-NSHDSACASA-N 1 0 308.382 0.061 10 0 DCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000131216120 158300408 /nfs/dbraw/zinc/30/04/08/158300408.db2.gz CLJMNMHZZVFGDO-ILXRZTDVSA-N 1 0 309.410 0.836 10 0 DCAERO O=C(C[C@@H]1NC(=O)NC1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000132415143 158310782 /nfs/dbraw/zinc/31/07/82/158310782.db2.gz CZDNBRJZSTZCHU-LBPRGKRZSA-N 1 0 308.382 0.108 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000132590957 158312693 /nfs/dbraw/zinc/31/26/93/158312693.db2.gz ZQSRXRHVIZTVOS-QWHCGFSZSA-N 1 0 311.430 0.574 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000132590770 158312786 /nfs/dbraw/zinc/31/27/86/158312786.db2.gz ZQSRXRHVIZTVOS-STQMWFEESA-N 1 0 311.430 0.574 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000134263310 158326453 /nfs/dbraw/zinc/32/64/53/158326453.db2.gz SSHOVXKPJPAHSJ-JTQLQIEISA-N 1 0 304.799 0.915 10 0 DCAERO CCn1cc(C(=O)C(=O)NC[C@@H]2CN(C3CC3)CCO2)cn1 ZINC000134812560 158331179 /nfs/dbraw/zinc/33/11/79/158331179.db2.gz WEYACYFRDIWVOD-CYBMUJFWSA-N 1 0 306.366 0.065 10 0 DCAERO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)CCO2)n1 ZINC000168282695 158372717 /nfs/dbraw/zinc/37/27/17/158372717.db2.gz VDGRDBFALQEJRO-UKRRQHHQSA-N 1 0 310.373 0.429 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000170865618 158376982 /nfs/dbraw/zinc/37/69/82/158376982.db2.gz AEKLUZWJMXAJCC-LBPRGKRZSA-N 1 0 302.440 0.896 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171762488 158386584 /nfs/dbraw/zinc/38/65/84/158386584.db2.gz PAZQHNGOJJQIPG-GJZGRUSLSA-N 1 0 307.394 0.522 10 0 DCAERO CNC(=O)c1cncc(/C=C/C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171810696 158387800 /nfs/dbraw/zinc/38/78/00/158387800.db2.gz JDJRAGDVPTTXIE-RGDDUWESSA-N 1 0 314.389 0.761 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cnn(C)c2)CC1 ZINC000176888567 158442620 /nfs/dbraw/zinc/44/26/20/158442620.db2.gz VHNNJTRQSCRABC-CQSZACIVSA-N 1 0 322.453 0.904 10 0 DCAERO COCCN1C[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186523157 158531567 /nfs/dbraw/zinc/53/15/67/158531567.db2.gz KVRNMIPHZIINJT-OLZOCXBDSA-N 1 0 309.410 0.224 10 0 DCAERO O=C(c1cnc2n(c1=O)CCS2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186543608 158532428 /nfs/dbraw/zinc/53/24/28/158532428.db2.gz MUTLEWQIERZXRP-JTQLQIEISA-N 1 0 320.418 0.706 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000192639014 158576279 /nfs/dbraw/zinc/57/62/79/158576279.db2.gz FTOPAZADQISLFQ-CYBMUJFWSA-N 1 0 313.427 0.341 10 0 DCAERO Cc1oc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1S(N)(=O)=O ZINC000261807137 158740737 /nfs/dbraw/zinc/74/07/37/158740737.db2.gz JHFKFMWURNSDLD-NSHDSACASA-N 1 0 315.395 0.435 10 0 DCAERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000262071310 158769748 /nfs/dbraw/zinc/76/97/48/158769748.db2.gz BQKOHPGDSOVJPM-WCQYABFASA-N 1 0 320.389 0.432 10 0 DCAERO Cc1ccc(N2C[C@H](C(=O)NC[C@H]3C[NH2+]C[C@H]3O)CC2=O)cc1 ZINC000262152446 158779071 /nfs/dbraw/zinc/77/90/71/158779071.db2.gz HWJQDXCTMYBHET-UMVBOHGHSA-N 1 0 317.389 0.044 10 0 DCAERO C[C@@H]1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)ccn2)C1 ZINC000262252068 158790290 /nfs/dbraw/zinc/79/02/90/158790290.db2.gz LPYOIYJWYXIHOL-XBFCOCLRSA-N 1 0 304.394 0.238 10 0 DCAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC(F)F ZINC000262308984 158795880 /nfs/dbraw/zinc/79/58/80/158795880.db2.gz QHZGZYHDFIGDKN-ZJUUUORDSA-N 1 0 316.304 0.607 10 0 DCAERO Cc1cc(Br)oc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262348274 158801936 /nfs/dbraw/zinc/80/19/36/158801936.db2.gz UGYHXMLRTBKDLQ-YUMQZZPRSA-N 1 0 303.156 0.661 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC[NH2+]1 ZINC000262375007 158805936 /nfs/dbraw/zinc/80/59/36/158805936.db2.gz KPIRKIVVLQRKTO-AAEUAGOBSA-N 1 0 317.455 0.210 10 0 DCAERO C[C@H](Cn1cccn1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262448290 158814824 /nfs/dbraw/zinc/81/48/24/158814824.db2.gz HMDWRHLYWRLSOQ-BRXULGCHSA-N 1 0 306.410 0.920 10 0 DCAERO Cn1nc(CC(=O)N2CCCC[C@@H]2C[NH3+])c2ccccc2c1=O ZINC000262546543 158823645 /nfs/dbraw/zinc/82/36/45/158823645.db2.gz MHJIAWQWNKWQJM-GFCCVEGCSA-N 1 0 314.389 0.816 10 0 DCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000323772123 159013460 /nfs/dbraw/zinc/01/34/60/159013460.db2.gz XZSHABNCCPPGTD-CHWSQXEVSA-N 1 0 318.373 0.754 10 0 DCAERO C[C@H]1CN(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680451 159020575 /nfs/dbraw/zinc/02/05/75/159020575.db2.gz UOYFLBJWNWLAJF-HOCLYGCPSA-N 1 0 308.426 0.429 10 0 DCAERO COc1ccc2nc(CN3CC[C@@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930118 159043106 /nfs/dbraw/zinc/04/31/06/159043106.db2.gz YYCVCUZUSIRSDX-OLZOCXBDSA-N 1 0 317.393 0.871 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Cc3nccn3C)C2)[N@H+](C)C1 ZINC000328996736 159050553 /nfs/dbraw/zinc/05/05/53/159050553.db2.gz FOTOBULEEVDANK-KKUMJFAQSA-N 1 0 320.437 0.920 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)[N@H+](C)C1 ZINC000329102453 159062009 /nfs/dbraw/zinc/06/20/09/159062009.db2.gz CYPWAJSMGAMKDV-AVGNSLFASA-N 1 0 320.393 0.982 10 0 DCAERO CN(C(=O)[C@H]1COCCN1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286324 159079203 /nfs/dbraw/zinc/07/92/03/159079203.db2.gz MBVCHTUNDQUXMU-UONOGXRCSA-N 1 0 309.410 0.176 10 0 DCAERO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000329348467 159083705 /nfs/dbraw/zinc/08/37/05/159083705.db2.gz DNTIOAYPEFKDAW-HNNXBMFYSA-N 1 0 323.437 0.570 10 0 DCAERO C[C@H]1CN(C(=O)c2cnn3ccncc23)CC[N@@H+]1CC(C)(C)O ZINC000329359194 159085759 /nfs/dbraw/zinc/08/57/59/159085759.db2.gz XKLGGCWKWFYIIK-LBPRGKRZSA-N 1 0 317.393 0.647 10 0 DCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC000329509726 159097718 /nfs/dbraw/zinc/09/77/18/159097718.db2.gz BHRJRWUFPRVRBF-VXGBXAGGSA-N 1 0 308.382 0.854 10 0 DCAERO CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000329516132 159099077 /nfs/dbraw/zinc/09/90/77/159099077.db2.gz YSAXUIKTOKRMHE-CYBMUJFWSA-N 1 0 315.377 0.049 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](C3CCC3)CC2)C1 ZINC000329571821 159103848 /nfs/dbraw/zinc/10/38/48/159103848.db2.gz UUFQYZHYDKUZCJ-CYBMUJFWSA-N 1 0 308.426 0.930 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccnn1C ZINC000329605346 159106567 /nfs/dbraw/zinc/10/65/67/159106567.db2.gz HLVJQCPBVSOHNZ-GFCCVEGCSA-N 1 0 300.428 0.819 10 0 DCAERO CCn1cncc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000329991596 159134796 /nfs/dbraw/zinc/13/47/96/159134796.db2.gz XCQWRCPGQMNTAN-GFCCVEGCSA-N 1 0 300.428 0.913 10 0 DCAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330132196 159144707 /nfs/dbraw/zinc/14/47/07/159144707.db2.gz QEMPYHQTZLAELF-NWANDNLSSA-N 1 0 312.410 0.238 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000330212172 159150646 /nfs/dbraw/zinc/15/06/46/159150646.db2.gz JVROFWAHEMFMAU-UMVBOHGHSA-N 1 0 322.409 0.287 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000332759094 159213256 /nfs/dbraw/zinc/21/32/56/159213256.db2.gz VVUHSSWHKOCMMZ-DNVSUFBTSA-N 1 0 309.410 0.317 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000408019958 160012987 /nfs/dbraw/zinc/01/29/87/160012987.db2.gz BONSCPKJGUCVJO-MCIONIFRSA-N 1 0 321.421 0.714 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000408042155 160020430 /nfs/dbraw/zinc/02/04/30/160020430.db2.gz JZKHQAJSJNFUHW-INIZCTEOSA-N 1 0 311.426 0.349 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000408048624 160022934 /nfs/dbraw/zinc/02/29/34/160022934.db2.gz YVTGKRWGGTXJLD-XJKSGUPXSA-N 1 0 311.426 0.350 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408213222 160061597 /nfs/dbraw/zinc/06/15/97/160061597.db2.gz FKYPMIVVFPYHOA-KBPBESRZSA-N 1 0 319.471 0.063 10 0 DCAERO Cn1nc2c(c1CNC(=O)[C@H]1C[N@@H+]3CCN1CCC3)CCCC2 ZINC000408236622 160065969 /nfs/dbraw/zinc/06/59/69/160065969.db2.gz JQDPVUYUWSGCKQ-MRXNPFEDSA-N 1 0 317.437 0.305 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC[N@@H+]1C ZINC000408242762 160067838 /nfs/dbraw/zinc/06/78/38/160067838.db2.gz XWOYZVUUZYVGLF-MNOVXSKESA-N 1 0 307.398 0.803 10 0 DCAERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000408280224 160075200 /nfs/dbraw/zinc/07/52/00/160075200.db2.gz GHPPXENTZFKUGU-LRDDRELGSA-N 1 0 311.426 0.112 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408421339 160104251 /nfs/dbraw/zinc/10/42/51/160104251.db2.gz IOWWKVQAECSZOM-AVGNSLFASA-N 1 0 307.460 0.660 10 0 DCAERO COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408457572 160112602 /nfs/dbraw/zinc/11/26/02/160112602.db2.gz POOOILCXJXBXDT-MGPQQGTHSA-N 1 0 320.455 0.536 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333217152 286844408 /nfs/dbraw/zinc/84/44/08/286844408.db2.gz VRYBHJMXHACWCO-LJISPDSOSA-N 1 0 315.483 0.730 10 0 DCAERO CC(C)(CO)CCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000122673907 286958517 /nfs/dbraw/zinc/95/85/17/286958517.db2.gz YUTXCLSKQNXDLW-CQSZACIVSA-N 1 0 315.458 0.931 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCN1CCCS1(=O)=O ZINC000131364419 287000025 /nfs/dbraw/zinc/00/00/25/287000025.db2.gz FRRIVIFVDGGBRC-GFCCVEGCSA-N 1 0 320.459 0.051 10 0 DCAERO C[N@H+](CCCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CCCCC1 ZINC000134961310 287019537 /nfs/dbraw/zinc/01/95/37/287019537.db2.gz DLZUBMLAHIQKHE-LBPRGKRZSA-N 1 0 310.398 0.355 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000193686619 287061558 /nfs/dbraw/zinc/06/15/58/287061558.db2.gz MENBGKWVWRHJEK-GFCCVEGCSA-N 1 0 324.425 0.698 10 0 DCAERO C[C@@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)[N@H+](C)C1CC1 ZINC000246088002 287076594 /nfs/dbraw/zinc/07/65/94/287076594.db2.gz GILUXYSBGPFSJQ-QJPTWQEYSA-N 1 0 305.444 0.413 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246407236 287083090 /nfs/dbraw/zinc/08/30/90/287083090.db2.gz YTOYETGYCBUUCD-ZIAGYGMSSA-N 1 0 318.487 0.189 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000246631364 287086167 /nfs/dbraw/zinc/08/61/67/287086167.db2.gz WCFJJPPEUZROGY-AGIUHOORSA-N 1 0 312.414 0.145 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC(C)(C)C[NH+](C)C)[C@@H](C)CO1 ZINC000248421401 287096879 /nfs/dbraw/zinc/09/68/79/287096879.db2.gz ARYRWCXIDYWZGN-NWDGAFQWSA-N 1 0 307.460 0.518 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2cnn(C)c2C)CC[N@@H+]1C[C@H](C)O ZINC000248446959 287097483 /nfs/dbraw/zinc/09/74/83/287097483.db2.gz CWLXVGUMASRCHE-WFASDCNBSA-N 1 0 323.441 0.715 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)[C@@H](C)C1 ZINC000249156233 287107396 /nfs/dbraw/zinc/10/73/96/287107396.db2.gz IJHRFIXYQZZCPZ-SMDDNHRTSA-N 1 0 321.425 0.856 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000333131811 287222170 /nfs/dbraw/zinc/22/21/70/287222170.db2.gz WXGDSQNHDCFVAC-DGAVXFQQSA-N 1 0 308.426 0.922 10 0 DCAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000065297736 415356161 /nfs/dbraw/zinc/35/61/61/415356161.db2.gz QTRXWMQZZAVTSY-HUUCEWRRSA-N 1 0 313.442 0.012 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000077396350 415462151 /nfs/dbraw/zinc/46/21/51/415462151.db2.gz XLMSQWBMVROXFS-GFCCVEGCSA-N 1 0 300.399 0.801 10 0 DCAERO C[N@H+](CCO)C1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333161962 415574779 /nfs/dbraw/zinc/57/47/79/415574779.db2.gz MBOCMNAHZHYILZ-VNHYZAJKSA-N 1 0 316.467 0.893 10 0 DCAERO O=C(Nc1ccn2ccnc2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333321297 415610673 /nfs/dbraw/zinc/61/06/73/415610673.db2.gz NAMFXQSBFGFKMR-AWEZNQCLSA-N 1 0 314.393 0.846 10 0 DCAERO Cc1ccn(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(=O)c1 ZINC000285896140 415621777 /nfs/dbraw/zinc/62/17/77/415621777.db2.gz SOFHDDMOCNRIJB-ZIAGYGMSSA-N 1 0 305.378 0.088 10 0 DCAERO CNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105280160 415629326 /nfs/dbraw/zinc/62/93/26/415629326.db2.gz QLMSUBPDKOMGNA-ZDUSSCGKSA-N 1 0 306.366 0.498 10 0 DCAERO O=C(CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCOCC1 ZINC000105103570 415632733 /nfs/dbraw/zinc/63/27/33/415632733.db2.gz CCSHWSSAOONFLN-AWEZNQCLSA-N 1 0 324.425 0.115 10 0 DCAERO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333259377 415595099 /nfs/dbraw/zinc/59/50/99/415595099.db2.gz IQBRBOVJKVSFDC-QJPTWQEYSA-N 1 0 315.439 0.039 10 0 DCAERO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333259378 415595601 /nfs/dbraw/zinc/59/56/01/415595601.db2.gz IQBRBOVJKVSFDC-SDDRHHMPSA-N 1 0 315.439 0.039 10 0 DCAERO CC[C@@H]1CN(CC(=O)NCc2cccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000111227907 415693701 /nfs/dbraw/zinc/69/37/01/415693701.db2.gz KZVHOIDZKOFWAW-GDBMZVCRSA-N 1 0 320.437 0.475 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333690234 415716681 /nfs/dbraw/zinc/71/66/81/415716681.db2.gz PRGBOQZBUSVPTA-FVQBIDKESA-N 1 0 324.469 0.737 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000114975809 415725636 /nfs/dbraw/zinc/72/56/36/415725636.db2.gz VEDHMAIZADNSKS-QWHCGFSZSA-N 1 0 320.441 0.891 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000333764127 415733863 /nfs/dbraw/zinc/73/38/63/415733863.db2.gz AYFZJGZDPATIRL-KBPBESRZSA-N 1 0 306.414 0.842 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000112143212 415706322 /nfs/dbraw/zinc/70/63/22/415706322.db2.gz XAZXWBXVEZEKSB-UWVGGRQHSA-N 1 0 322.331 0.495 10 0 DCAERO CN(C(=O)N[C@H]1CCOc2ccc(F)cc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333659581 415708783 /nfs/dbraw/zinc/70/87/83/415708783.db2.gz WVXCNEICMVBROS-AVGNSLFASA-N 1 0 309.341 0.623 10 0 DCAERO C[C@H]1[C@H](O)CCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333668334 415711299 /nfs/dbraw/zinc/71/12/99/415711299.db2.gz MRCCYJVUPBVXIV-SLTXQBBLSA-N 1 0 324.469 0.758 10 0 DCAERO CN(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333679828 415715863 /nfs/dbraw/zinc/71/58/63/415715863.db2.gz ZMZQARNXJNXQCE-MBJXGIAVSA-N 1 0 309.410 0.308 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[NH2+]C[C@H]3C)C2=O)n(C)n1 ZINC000333805128 415743658 /nfs/dbraw/zinc/74/36/58/415743658.db2.gz IKBYLCSRAUTWEO-RTXFEEFZSA-N 1 0 319.409 0.196 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)nn1 ZINC000120649729 415777598 /nfs/dbraw/zinc/77/75/98/415777598.db2.gz AANBUSNMYHBZET-GFCCVEGCSA-N 1 0 318.381 0.217 10 0 DCAERO C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000333880754 415757294 /nfs/dbraw/zinc/75/72/94/415757294.db2.gz DKHARHQYOILKLX-SWLSCSKDSA-N 1 0 309.389 0.576 10 0 DCAERO CCC[C@](C)(CO)NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000122241925 415830760 /nfs/dbraw/zinc/83/07/60/415830760.db2.gz LMXUVGRWQKCALA-UKRRQHHQSA-N 1 0 301.431 0.948 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000131897412 415930367 /nfs/dbraw/zinc/93/03/67/415930367.db2.gz YMWQHRCMILSYKB-JTQLQIEISA-N 1 0 315.370 0.672 10 0 DCAERO CN1C[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCC1=O ZINC000133735662 415949022 /nfs/dbraw/zinc/94/90/22/415949022.db2.gz ZJHCAZNMOGUCGD-GJZGRUSLSA-N 1 0 303.406 0.896 10 0 DCAERO C[C@@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000134243274 415956225 /nfs/dbraw/zinc/95/62/25/415956225.db2.gz HYGGNSLPFLUUSF-STQMWFEESA-N 1 0 305.426 0.582 10 0 DCAERO CCOC(=O)CCCCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000344595086 415959581 /nfs/dbraw/zinc/95/95/81/415959581.db2.gz YBNFMBSNCQHZHC-LBPRGKRZSA-N 1 0 306.428 0.733 10 0 DCAERO CC(C)[C@@H](O)CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000153681771 415985602 /nfs/dbraw/zinc/98/56/02/415985602.db2.gz XIVUNHAITCOLJM-AWEZNQCLSA-N 1 0 324.425 0.838 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157294407 415998501 /nfs/dbraw/zinc/99/85/01/415998501.db2.gz DSRHHRUCKJTBOP-LSDHHAIUSA-N 1 0 303.406 0.944 10 0 DCAERO Cc1nnc2ccc(NC[C@@H](c3cnn(C)c3)[NH+](C)C)nn12 ZINC000301268929 416079523 /nfs/dbraw/zinc/07/95/23/416079523.db2.gz GHPFZVGRVKCJPG-LBPRGKRZSA-N 1 0 300.370 0.881 10 0 DCAERO CCCCOCCNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173944406 416071017 /nfs/dbraw/zinc/07/10/17/416071017.db2.gz AXMANDPLHWJCOL-HNNXBMFYSA-N 1 0 313.442 0.326 10 0 DCAERO CCCNC(=O)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174323916 416076441 /nfs/dbraw/zinc/07/64/41/416076441.db2.gz IPSOQRUTUGQWGO-UONOGXRCSA-N 1 0 313.442 0.596 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170844292 416034079 /nfs/dbraw/zinc/03/40/79/416034079.db2.gz XDGXNGICMURXOF-NSHDSACASA-N 1 0 306.366 0.581 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1c2ccccc2CC1=O ZINC000171190477 416039009 /nfs/dbraw/zinc/03/90/09/416039009.db2.gz YQIJTQDDKPHLKE-AWEZNQCLSA-N 1 0 316.405 0.969 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174775153 416085886 /nfs/dbraw/zinc/08/58/86/416085886.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 1 0 313.442 0.670 10 0 DCAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@H](C)N1CCOCC1 ZINC000174760603 416085942 /nfs/dbraw/zinc/08/59/42/416085942.db2.gz MDXMYTXYADHXAR-JYJNAYRXSA-N 1 0 322.453 0.751 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000174984468 416093032 /nfs/dbraw/zinc/09/30/32/416093032.db2.gz CWNMQLGIZNBCRI-QWHCGFSZSA-N 1 0 314.393 0.752 10 0 DCAERO CCN1CCO[C@H](C(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000175064218 416095352 /nfs/dbraw/zinc/09/53/52/416095352.db2.gz RFTVCVRVQCTHIN-HNNXBMFYSA-N 1 0 306.410 0.847 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000175351768 416104342 /nfs/dbraw/zinc/10/43/42/416104342.db2.gz VMTWSODDJHCJBG-GFCCVEGCSA-N 1 0 318.439 0.686 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000175737006 416111953 /nfs/dbraw/zinc/11/19/53/416111953.db2.gz RJWGTAXHTPLXIH-KBPBESRZSA-N 1 0 301.431 0.805 10 0 DCAERO O=C(N[C@@H]1CCCn2ncnc21)N1CC[NH+](CC2CC2)CC1 ZINC000176586807 416129957 /nfs/dbraw/zinc/12/99/57/416129957.db2.gz LZLSOWAVCMCXRU-CYBMUJFWSA-N 1 0 304.398 0.850 10 0 DCAERO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176626174 416130602 /nfs/dbraw/zinc/13/06/02/416130602.db2.gz VKKXNMUXEVIWDJ-AWEZNQCLSA-N 1 0 317.455 0.212 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CCC(=O)Nc2cc(N)ccc2F)CCO1 ZINC000177059107 416139903 /nfs/dbraw/zinc/13/99/03/416139903.db2.gz CRZGGFCCSIIWSR-CYBMUJFWSA-N 1 0 324.400 0.999 10 0 DCAERO Cc1ccn(-c2ccc(N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)nn2)n1 ZINC000328992899 416143883 /nfs/dbraw/zinc/14/38/83/416143883.db2.gz SVULCLLKKMEDHL-UONOGXRCSA-N 1 0 314.393 0.880 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCO1 ZINC000177770411 416150883 /nfs/dbraw/zinc/15/08/83/416150883.db2.gz ADENXOMGEDPYKY-CQSZACIVSA-N 1 0 317.393 0.806 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177761897 416151888 /nfs/dbraw/zinc/15/18/88/416151888.db2.gz AJIOBDKXCIDPHS-UKRRQHHQSA-N 1 0 322.453 0.282 10 0 DCAERO Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CCO2)n[nH]1 ZINC000178847030 416175004 /nfs/dbraw/zinc/17/50/04/416175004.db2.gz MECJFFVMPZYSBF-XUXIUFHCSA-N 1 0 319.409 0.934 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000179500353 416188155 /nfs/dbraw/zinc/18/81/55/416188155.db2.gz MXIGRHZQBDOCRC-NTHKTCTLSA-N 1 0 303.362 0.780 10 0 DCAERO COCc1nc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000182465399 416224167 /nfs/dbraw/zinc/22/41/67/416224167.db2.gz GXGCMXLDVWGDPG-AWEZNQCLSA-N 1 0 323.441 0.818 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000178324794 416159999 /nfs/dbraw/zinc/15/99/99/416159999.db2.gz CEWWPLNMSZCXEO-CABCVRRESA-N 1 0 306.410 0.639 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)co1 ZINC000183540159 416244742 /nfs/dbraw/zinc/24/47/42/416244742.db2.gz DFHWLRDOHURGJN-GFCCVEGCSA-N 1 0 310.350 0.907 10 0 DCAERO C[C@@H](C[NH+](C)C)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000358531450 416251279 /nfs/dbraw/zinc/25/12/79/416251279.db2.gz SOWFDFGBKHBOMT-ZDUSSCGKSA-N 1 0 306.414 0.648 10 0 DCAERO CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000185389751 416253894 /nfs/dbraw/zinc/25/38/94/416253894.db2.gz SMFPANTXDKNKON-GJZGRUSLSA-N 1 0 314.474 0.671 10 0 DCAERO CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1=O ZINC000190381637 416278141 /nfs/dbraw/zinc/27/81/41/416278141.db2.gz QREAIHALDLMMBL-AWEZNQCLSA-N 1 0 309.410 0.321 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC000358630922 416262232 /nfs/dbraw/zinc/26/22/32/416262232.db2.gz BIHPNKDPSSLNRC-UHFFFAOYSA-N 1 0 311.430 0.551 10 0 DCAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000189031315 416264235 /nfs/dbraw/zinc/26/42/35/416264235.db2.gz LKKFAQLHXHUZBU-SNVBAGLBSA-N 1 0 301.350 0.484 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000331138836 416272351 /nfs/dbraw/zinc/27/23/51/416272351.db2.gz DQPQBGOCMVNCJH-UHFFFAOYSA-N 1 0 318.421 0.647 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000190228037 416275088 /nfs/dbraw/zinc/27/50/88/416275088.db2.gz ATTLEAMKZYKTEW-JSGCOSHPSA-N 1 0 319.471 0.109 10 0 DCAERO NC(=O)CCNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190242096 416276257 /nfs/dbraw/zinc/27/62/57/416276257.db2.gz RHKIGTGATZQXNC-UHFFFAOYSA-N 1 0 324.812 0.873 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000190356680 416277485 /nfs/dbraw/zinc/27/74/85/416277485.db2.gz FKPOSECGYSGQJN-QWHCGFSZSA-N 1 0 305.382 0.444 10 0 DCAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCCC(=O)NC)CC1 ZINC000191006730 416283840 /nfs/dbraw/zinc/28/38/40/416283840.db2.gz KYCSZARRWVIARK-UHFFFAOYSA-N 1 0 314.426 0.929 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246968984 416332352 /nfs/dbraw/zinc/33/23/52/416332352.db2.gz JHRIHXNZHBEOSD-HOCLYGCPSA-N 1 0 313.442 0.901 10 0 DCAERO CCOCCN1CC[N@H+](CCCC(=O)NC(N)=O)C[C@H]1C ZINC000247392290 416332707 /nfs/dbraw/zinc/33/27/07/416332707.db2.gz XFXXIFRSCSUHEN-GFCCVEGCSA-N 1 0 300.403 0.004 10 0 DCAERO CC[C@@H]1CN(C[C@H](O)COCC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247393863 416332727 /nfs/dbraw/zinc/33/27/27/416332727.db2.gz XLRVFCSRYREKDE-XHSDSOJGSA-N 1 0 302.459 0.797 10 0 DCAERO C[C@@]1(C[NH3+])CCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784859 416335755 /nfs/dbraw/zinc/33/57/55/416335755.db2.gz NESRLZIUTIRDOR-SFHVURJKSA-N 1 0 316.449 0.836 10 0 DCAERO C[C@@]1(CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910221 416336078 /nfs/dbraw/zinc/33/60/78/416336078.db2.gz YCQIZIBFKFYUNU-UONOGXRCSA-N 1 0 301.456 0.486 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262264914 416336530 /nfs/dbraw/zinc/33/65/30/416336530.db2.gz MNLIXKHHSMVUFX-AWEZNQCLSA-N 1 0 313.442 0.215 10 0 DCAERO CN(CC(=O)NC1CC1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262586244 416336922 /nfs/dbraw/zinc/33/69/22/416336922.db2.gz ZTGITFRASYMORJ-NORZTCDRSA-N 1 0 309.410 0.256 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000237860590 416328867 /nfs/dbraw/zinc/32/88/67/416328867.db2.gz KOFSYVULKXFRDX-RBSFLKMASA-N 1 0 323.437 0.601 10 0 DCAERO CCn1cccc(CNC(=O)NCCNc2cc[nH+]cc2)c1=O ZINC000434451054 416479659 /nfs/dbraw/zinc/47/96/59/416479659.db2.gz XBXJQUBJXZDGEX-UHFFFAOYSA-N 1 0 315.377 0.596 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000434480785 416481973 /nfs/dbraw/zinc/48/19/73/416481973.db2.gz OBABUVSFZFSXKW-HUUCEWRRSA-N 1 0 313.442 0.012 10 0 DCAERO O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C2 ZINC000532716921 416450067 /nfs/dbraw/zinc/45/00/67/416450067.db2.gz VCYCNOQYDSDWGN-OFQRWUPVSA-N 1 0 312.410 0.145 10 0 DCAERO CCn1nncc1CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000459300671 416531631 /nfs/dbraw/zinc/53/16/31/416531631.db2.gz MAPDCHLLBUHUDX-GFCCVEGCSA-N 1 0 315.443 0.592 10 0 DCAERO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H](O)CN1CCOCC1 ZINC000435133178 416511052 /nfs/dbraw/zinc/51/10/52/416511052.db2.gz PQRLZAOGNRZYST-ZDUSSCGKSA-N 1 0 320.393 0.795 10 0 DCAERO CC(C)(C)NC(=O)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424111670 416614358 /nfs/dbraw/zinc/61/43/58/416614358.db2.gz GULHWDAHXJUIEW-LLVKDONJSA-N 1 0 322.413 0.237 10 0 DCAERO Cc1nn(C)c(CN(C)CC[N@H+](C)CCO)c1Br ZINC000623090900 416742297 /nfs/dbraw/zinc/74/22/97/416742297.db2.gz FCFFDKUAUKACCB-UHFFFAOYSA-N 1 0 319.247 0.847 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCCn2ccnn2)cc1 ZINC000516863225 416747639 /nfs/dbraw/zinc/74/76/39/416747639.db2.gz YNXGTDRYARTWBN-OAHLLOKOSA-N 1 0 318.377 0.900 10 0 DCAERO c1cnc(N2CC[NH+](CCCCNc3cccnn3)CC2)nc1 ZINC000553364805 416703799 /nfs/dbraw/zinc/70/37/99/416703799.db2.gz ZZFUPVUEQWKSKV-UHFFFAOYSA-N 1 0 313.409 1.281 10 0 DCAERO C[NH+](C)C[C@H](CO)NC(=O)c1nscc1Br ZINC000614858883 416718163 /nfs/dbraw/zinc/71/81/63/416718163.db2.gz TYPFRQGKSSZGCA-ZCFIWIBFSA-N 1 0 308.201 0.558 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1cccc(Cl)c1 ZINC000631909527 416794435 /nfs/dbraw/zinc/79/44/35/416794435.db2.gz HGZLYUXGWDEDOH-CYBMUJFWSA-N 1 0 318.826 0.790 10 0 DCAERO COCCCS(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000631965316 416834805 /nfs/dbraw/zinc/83/48/05/416834805.db2.gz XVMKEJGCNIJQHB-AWEZNQCLSA-N 1 0 300.424 0.902 10 0 DCAERO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC[NH2+][C@H]3C)ccc21 ZINC000624415705 417036672 /nfs/dbraw/zinc/03/66/72/417036672.db2.gz WWVWNONUEFTNDY-IINYFYTJSA-N 1 0 323.418 0.624 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616636065 417087815 /nfs/dbraw/zinc/08/78/15/417087815.db2.gz JLSYURMFKHUFNL-CYBMUJFWSA-N 1 0 307.398 0.948 10 0 DCAERO CN(CCc1cccs1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388542546 417095481 /nfs/dbraw/zinc/09/54/81/417095481.db2.gz RRIDRSDWADHOND-NSHDSACASA-N 1 0 304.437 0.541 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2cnc(C)s2)C[C@H]1C[NH3+] ZINC000405834555 417125852 /nfs/dbraw/zinc/12/58/52/417125852.db2.gz CCAUYDMQNNKOGD-NXEZZACHSA-N 1 0 305.425 0.436 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408180632 417146842 /nfs/dbraw/zinc/14/68/42/417146842.db2.gz UCEMNWOMYVKVPR-JQWIXIFHSA-N 1 0 310.316 0.480 10 0 DCAERO C[C@H]1C[N@H+](CCCNC(=O)c2cn3cccnc3n2)CCCO1 ZINC000568579402 417152100 /nfs/dbraw/zinc/15/21/00/417152100.db2.gz BNLYGKCZGRWLBF-ZDUSSCGKSA-N 1 0 317.393 0.960 10 0 DCAERO C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000408288682 417153733 /nfs/dbraw/zinc/15/37/33/417153733.db2.gz ZMOUSBCGKAQTGU-NEPJUHHUSA-N 1 0 303.428 0.140 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000525852740 417157559 /nfs/dbraw/zinc/15/75/59/417157559.db2.gz MYKKMSKXUSZSOL-UHFFFAOYSA-N 1 0 307.350 0.764 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1cc(N2CCOCC2)ccn1 ZINC000527383111 417242853 /nfs/dbraw/zinc/24/28/53/417242853.db2.gz JVAMWMQDZVGGQZ-UHFFFAOYSA-N 1 0 306.410 0.942 10 0 DCAERO COCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000450627563 417253397 /nfs/dbraw/zinc/25/33/97/417253397.db2.gz UKPPFLDNYLISJS-WOPDTQHZSA-N 1 0 315.332 0.788 10 0 DCAERO CC(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1Cl ZINC000415278974 417351879 /nfs/dbraw/zinc/35/18/79/417351879.db2.gz CAGIFIXFKZIKIF-UHFFFAOYSA-N 1 0 309.753 0.913 10 0 DCAERO CNC(=O)c1ccc(N2CCN(c3cnccc3C)CC2)nn1 ZINC000570477525 417358709 /nfs/dbraw/zinc/35/87/09/417358709.db2.gz VTQNQIRJOIHKMU-UHFFFAOYSA-N 1 0 312.377 0.866 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)CC12COC2 ZINC000451131221 417301060 /nfs/dbraw/zinc/30/10/60/417301060.db2.gz GURJAZVSLITHKO-OLZOCXBDSA-N 1 0 310.394 0.507 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)CC12COC2 ZINC000451130888 417301377 /nfs/dbraw/zinc/30/13/77/417301377.db2.gz FYGMIEHABBOXHO-ZIAGYGMSSA-N 1 0 324.421 0.897 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)CC12COC2 ZINC000451145276 417305038 /nfs/dbraw/zinc/30/50/38/417305038.db2.gz YPUVHPVLQCXWSA-CHWSQXEVSA-N 1 0 312.410 0.755 10 0 DCAERO C[C@@](C[NH3+])(NC(=O)Nc1ccn(Cc2ccncc2)n1)C1CC1 ZINC000415186911 417339045 /nfs/dbraw/zinc/33/90/45/417339045.db2.gz LPUMCHMDAROTKH-INIZCTEOSA-N 1 0 314.393 1.575 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528682074 417378317 /nfs/dbraw/zinc/37/83/17/417378317.db2.gz WENNLPDEXKTLEW-ZDUSSCGKSA-N 1 0 306.366 0.779 10 0 DCAERO O=C(Cn1ncc2ccccc21)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452348328 417469828 /nfs/dbraw/zinc/46/98/28/417469828.db2.gz KZWDVRYJPSMBNI-HNNXBMFYSA-N 1 0 316.405 0.999 10 0 DCAERO CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000644110849 417473344 /nfs/dbraw/zinc/47/33/44/417473344.db2.gz OFIREFOYPWEYQT-NEPJUHHUSA-N 1 0 303.428 0.011 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638874785 417573088 /nfs/dbraw/zinc/57/30/88/417573088.db2.gz BTVCLNZVCQHGRQ-SFYZADRCSA-N 1 0 301.188 0.926 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638878372 417575787 /nfs/dbraw/zinc/57/57/87/417575787.db2.gz UBMOXXSACITBRV-POYBYMJQSA-N 1 0 305.151 0.499 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2cnnn2C)C1 ZINC000629318740 417778567 /nfs/dbraw/zinc/77/85/67/417778567.db2.gz FTZORYSKGYJONZ-SOUVJXGZSA-N 1 0 321.425 0.458 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659336762 418084586 /nfs/dbraw/zinc/08/45/86/418084586.db2.gz OLRZWMQWRZCUNB-RYUDHWBXSA-N 1 0 302.440 0.693 10 0 DCAERO COC[C@H]([NH2+]CCC(=O)N1CCOCC1)C1CCOCC1 ZINC000187859972 545915358 /nfs/dbraw/zinc/91/53/58/545915358.db2.gz WUZOBBKSMXHTAF-AWEZNQCLSA-N 1 0 300.399 0.267 10 0 DCAERO CNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000183655374 261116550 /nfs/dbraw/zinc/11/65/50/261116550.db2.gz VYHPVSCKEZCLBI-ZBFHGGJFSA-N 1 0 322.405 0.989 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C ZINC000183665777 261116590 /nfs/dbraw/zinc/11/65/90/261116590.db2.gz WCYPHKIVWAGFOK-HNNXBMFYSA-N 1 0 320.393 0.944 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000183951048 261117134 /nfs/dbraw/zinc/11/71/34/261117134.db2.gz ONLOAJZSRYMPNV-ZDUSSCGKSA-N 1 0 322.409 0.627 10 0 DCAERO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189257702 261131359 /nfs/dbraw/zinc/13/13/59/261131359.db2.gz NYFXSXDAQXFQIC-OLZOCXBDSA-N 1 0 308.444 0.299 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189783677 261134027 /nfs/dbraw/zinc/13/40/27/261134027.db2.gz ZNFNGTQBVQOUHR-UHFFFAOYSA-N 1 0 305.382 0.538 10 0 DCAERO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192970385 261139662 /nfs/dbraw/zinc/13/96/62/261139662.db2.gz TZASEBOZMHVTFZ-UHFFFAOYSA-N 1 0 318.377 0.801 10 0 DCAERO CCO[C@@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)[C@@H]1OC ZINC000362110321 262000496 /nfs/dbraw/zinc/00/04/96/262000496.db2.gz RMVGECIONOFAGQ-MJBXVCDLSA-N 1 0 308.382 0.407 10 0 DCAERO Cn1ncc(N2CC[NH2+]C(C)(C)C2)c(Br)c1=O ZINC000396005937 262163232 /nfs/dbraw/zinc/16/32/32/262163232.db2.gz NSOYFJKKPFJCNB-UHFFFAOYSA-N 1 0 301.188 0.731 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397351071 262164004 /nfs/dbraw/zinc/16/40/04/262164004.db2.gz UKYQWLWREBVSRK-SRVKXCTJSA-N 1 0 300.428 0.897 10 0 DCAERO CNS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498948 262164231 /nfs/dbraw/zinc/16/42/31/262164231.db2.gz UDIRVZSFKYXMTD-UHFFFAOYSA-N 1 0 313.423 0.067 10 0 DCAERO Cn1cc(-c2c[nH]cc2C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000427456991 262566324 /nfs/dbraw/zinc/56/63/24/262566324.db2.gz IIZGMPKVBZUIQT-ZDUSSCGKSA-N 1 0 317.393 0.818 10 0 DCAERO CCn1nccc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358386220 271051261 /nfs/dbraw/zinc/05/12/61/271051261.db2.gz FEMOCOGWCMIEBL-UHFFFAOYSA-N 1 0 305.382 0.610 10 0 DCAERO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000358493746 271052515 /nfs/dbraw/zinc/05/25/15/271052515.db2.gz HGXSZOWWYWLVCG-RDBSUJKOSA-N 1 0 313.442 0.803 10 0 DCAERO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000459531469 272000177 /nfs/dbraw/zinc/00/01/77/272000177.db2.gz CLSPWZWGHIRNON-UHFFFAOYSA-N 1 0 313.383 0.155 10 0 DCAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699605 272005660 /nfs/dbraw/zinc/00/56/60/272005660.db2.gz OOFVROZVVKNQNY-HYVNUMGLSA-N 1 0 315.421 0.749 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)o1 ZINC000515300414 287651790 /nfs/dbraw/zinc/65/17/90/287651790.db2.gz FXLYFGDGZFEKEG-SNVBAGLBSA-N 1 0 315.395 0.306 10 0 DCAERO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178169828 275003366 /nfs/dbraw/zinc/00/33/66/275003366.db2.gz PSAQXWFCMXCBFL-GFCCVEGCSA-N 1 0 317.393 0.459 10 0 DCAERO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262044888 275657044 /nfs/dbraw/zinc/65/70/44/275657044.db2.gz YZJSXACWGLOGOL-BFHYXJOUSA-N 1 0 319.471 0.061 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000247072828 278294222 /nfs/dbraw/zinc/29/42/22/278294222.db2.gz GPXGQVVFFSAJIJ-WCVJEAGWSA-N 1 0 311.470 0.878 10 0 DCAERO CC(=O)NC[C@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CCO1 ZINC000547296661 288036005 /nfs/dbraw/zinc/03/60/05/288036005.db2.gz HGMNVYIOEYSMAA-HNNXBMFYSA-N 1 0 324.425 0.185 10 0 DCAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237062459 279076059 /nfs/dbraw/zinc/07/60/59/279076059.db2.gz VMVAAGSWJDAQGZ-OLZOCXBDSA-N 1 0 313.467 0.941 10 0 DCAERO C[C@H](C(=O)NC(N)=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297570 279218751 /nfs/dbraw/zinc/21/87/51/279218751.db2.gz YFFKPJZJYZFDLS-TZMCWYRMSA-N 1 0 319.409 0.419 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000408357421 280007416 /nfs/dbraw/zinc/00/74/16/280007416.db2.gz AVBTVIVXLFMIOU-CYBMUJFWSA-N 1 0 317.455 0.355 10 0 DCAERO CC(C)[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1CCCS1(=O)=O ZINC000151507734 280159236 /nfs/dbraw/zinc/15/92/36/280159236.db2.gz WFWGMAVAXCFMRW-QWHCGFSZSA-N 1 0 317.455 0.209 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@@H](C)O1 ZINC000408331486 288232684 /nfs/dbraw/zinc/23/26/84/288232684.db2.gz NNJSFAAFAKAKCA-JHJVBQTASA-N 1 0 305.444 0.366 10 0 DCAERO CC1(C)CN(C(=O)CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000261958047 281161562 /nfs/dbraw/zinc/16/15/62/281161562.db2.gz ZYKYVQZWOPPEEB-NSHDSACASA-N 1 0 302.440 0.787 10 0 DCAERO CO[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000555913784 288365508 /nfs/dbraw/zinc/36/55/08/288365508.db2.gz KZLCVTYREPJNBJ-HNNXBMFYSA-N 1 0 321.421 0.900 10 0 DCAERO C[NH+](C)CC1(C(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000408227757 282064090 /nfs/dbraw/zinc/06/40/90/282064090.db2.gz DBXXNPDBLMSARU-LBPRGKRZSA-N 1 0 302.440 0.802 10 0 DCAERO Cc1cnccc1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000562288372 288563326 /nfs/dbraw/zinc/56/33/26/288563326.db2.gz CFNDMHHSXRMWRF-UHFFFAOYSA-N 1 0 306.410 0.459 10 0 DCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000374244645 288651294 /nfs/dbraw/zinc/65/12/94/288651294.db2.gz FKZSITURPNCAAM-MJBXVCDLSA-N 1 0 319.471 0.472 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000093990504 289386706 /nfs/dbraw/zinc/38/67/06/289386706.db2.gz QBCGEORNAIQDAR-OLZOCXBDSA-N 1 0 317.455 0.257 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]2C1 ZINC000408039265 290167761 /nfs/dbraw/zinc/16/77/61/290167761.db2.gz UJHJQESTNWJUID-NEPJUHHUSA-N 1 0 312.414 0.016 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1C[NH3+] ZINC000230852234 290451106 /nfs/dbraw/zinc/45/11/06/290451106.db2.gz PHCPPKPPMSPYDG-WCBMZHEXSA-N 1 0 306.819 0.821 10 0 DCAERO [NH3+]C[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000237807398 295260890 /nfs/dbraw/zinc/26/08/90/295260890.db2.gz CHYKIWXXGJFIQB-CVEARBPZSA-N 1 0 303.406 0.662 10 0 DCAERO NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000408216810 295286133 /nfs/dbraw/zinc/28/61/33/295286133.db2.gz WSHJFQZIUHMHCD-STQMWFEESA-N 1 0 315.439 0.140 10 0 DCAERO CS(=O)(=O)N[C@H]1COCCC12CC[NH+](C1CCC1)CC2 ZINC000096216956 295538473 /nfs/dbraw/zinc/53/84/73/295538473.db2.gz UVRHTVPCUMDDIX-ZDUSSCGKSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@H](C(=O)N1CCc2sccc2C1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333817254 298090201 /nfs/dbraw/zinc/09/02/01/298090201.db2.gz GVLKPLNKKRQTMA-WXHSDQCUSA-N 1 0 309.435 0.286 10 0 DCAERO C[C@H](CN1CCOCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431974 298643192 /nfs/dbraw/zinc/64/31/92/298643192.db2.gz IELFAVUCLWLYQI-WBVHZDCISA-N 1 0 319.449 0.996 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000333675598 300675651 /nfs/dbraw/zinc/67/56/51/300675651.db2.gz YWHWTQDZCJVCGX-IHRRRGAJSA-N 1 0 323.441 0.798 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@@](C)(O)COC)CC1 ZINC000570896110 332836879 /nfs/dbraw/zinc/83/68/79/332836879.db2.gz CYGYQCZIFNSLDU-OAHLLOKOSA-N 1 0 301.431 0.805 10 0 DCAERO COC[C@@H](C)C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000187742583 332985044 /nfs/dbraw/zinc/98/50/44/332985044.db2.gz YBSPQHOSZKYNDA-ZDUSSCGKSA-N 1 0 300.424 0.978 10 0 DCAERO CC(C)C(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828632 332884019 /nfs/dbraw/zinc/88/40/19/332884019.db2.gz FZBKOGMOGZJYMG-CQSZACIVSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cn2ccnc2s1 ZINC000188458945 333046658 /nfs/dbraw/zinc/04/66/58/333046658.db2.gz QTNKRQBMCBRNED-LLVKDONJSA-N 1 0 307.423 0.762 10 0 DCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2nnnn2C(C)C)C1 ZINC000584485262 337349646 /nfs/dbraw/zinc/34/96/46/337349646.db2.gz GTVANCSDQJCPAR-KBPBESRZSA-N 1 0 308.430 0.939 10 0 DCAERO CS(=O)(=O)c1ccc(N2CC3(CC2=O)CC[NH2+]CC3)cn1 ZINC000584624262 337375389 /nfs/dbraw/zinc/37/53/89/337375389.db2.gz MUIRWXHCIYVQHJ-UHFFFAOYSA-N 1 0 309.391 0.592 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000190911609 337397249 /nfs/dbraw/zinc/39/72/49/337397249.db2.gz RPDAIGKVFYUTHE-MGPQQGTHSA-N 1 0 319.471 0.109 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1O ZINC000186884328 533913119 /nfs/dbraw/zinc/91/31/19/533913119.db2.gz NMKZMUWAVRWWLF-YOEHRIQHSA-N 1 0 317.433 0.868 10 0 DCAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](C)N1CCOCC1 ZINC000183544330 518183146 /nfs/dbraw/zinc/18/31/46/518183146.db2.gz CQRLDFRLSFPNCQ-STQMWFEESA-N 1 0 306.410 0.987 10 0 DCAERO CC(=O)NC1CN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000189724410 519648129 /nfs/dbraw/zinc/64/81/29/519648129.db2.gz ICKYWNKFAFNLBO-HNNXBMFYSA-N 1 0 322.384 0.958 10 0 DCAERO CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cnn(C)c3)C2)CC1 ZINC000267624023 521575943 /nfs/dbraw/zinc/57/59/43/521575943.db2.gz ORUBLUJYYNATNG-HNNXBMFYSA-N 1 0 321.425 0.987 10 0 DCAERO COc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)on1 ZINC000157842407 522083427 /nfs/dbraw/zinc/08/34/27/522083427.db2.gz LNEWMWNIWJIYTN-CYBMUJFWSA-N 1 0 322.409 0.925 10 0 DCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189368735 522089669 /nfs/dbraw/zinc/08/96/69/522089669.db2.gz ZDIWWEBDXLIYAZ-MRXNPFEDSA-N 1 0 315.417 0.896 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000162125751 522203603 /nfs/dbraw/zinc/20/36/03/522203603.db2.gz GZJUFDBAVYXXAR-CYBMUJFWSA-N 1 0 322.409 0.614 10 0 DCAERO COc1cc(CN2CC[NH+](C[C@H](C)O)CC2)cc2c1OCCO2 ZINC000189851071 522383725 /nfs/dbraw/zinc/38/37/25/522383725.db2.gz JQPGCQFIOAWDKZ-ZDUSSCGKSA-N 1 0 322.405 0.965 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000158700215 523591611 /nfs/dbraw/zinc/59/16/11/523591611.db2.gz BVQFNWIBYXBPPQ-UHFFFAOYSA-N 1 0 323.441 0.887 10 0 DCAERO COC(=O)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccc(O)cc1 ZINC000237113731 523903259 /nfs/dbraw/zinc/90/32/59/523903259.db2.gz IUFDSYSOEWQSGM-GXTWGEPZSA-N 1 0 306.362 0.592 10 0 DCAERO C[C@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)O1 ZINC000156474780 524387344 /nfs/dbraw/zinc/38/73/44/524387344.db2.gz BZIPLNOHGIIYLL-WCQYABFASA-N 1 0 323.397 0.067 10 0 DCAERO C[C@@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)[N@H+](C)C1CC1 ZINC000189068728 524713976 /nfs/dbraw/zinc/71/39/76/524713976.db2.gz KMIHILRMAUKMBH-VIFPVBQESA-N 1 0 301.350 0.531 10 0 DCAERO O=C(CCC(=O)N1CC[NH2+]CC1)N1CCC(c2ccccc2)=N1 ZINC000237930725 526380629 /nfs/dbraw/zinc/38/06/29/526380629.db2.gz XZGZSROIEVFCEI-UHFFFAOYSA-N 1 0 314.389 0.835 10 0 DCAERO O=C(CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc21 ZINC000157866692 526439053 /nfs/dbraw/zinc/43/90/53/526439053.db2.gz UNNNUINEHKCIBX-KGLIPLIRSA-N 1 0 317.389 0.195 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1=O ZINC000267552945 527077537 /nfs/dbraw/zinc/07/75/37/527077537.db2.gz CSTBBEVJOKIGGA-NSHDSACASA-N 1 0 306.366 0.186 10 0 DCAERO [NH3+]CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000079868056 527176120 /nfs/dbraw/zinc/17/61/20/527176120.db2.gz AXOCBJIPGDGKHU-UHFFFAOYSA-N 1 0 300.380 0.865 10 0 DCAERO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1ccc(F)c(F)c1F ZINC000157390098 527224919 /nfs/dbraw/zinc/22/49/19/527224919.db2.gz OPFALFUVTYMXQC-ZETCQYMHSA-N 1 0 310.297 0.371 10 0 DCAERO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262403677 527580639 /nfs/dbraw/zinc/58/06/39/527580639.db2.gz OLMHJIKIVMJWKP-LSDHHAIUSA-N 1 0 322.380 0.713 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccsc1 ZINC000124694794 527651178 /nfs/dbraw/zinc/65/11/78/527651178.db2.gz GBKGCESBWBETDM-UHFFFAOYSA-N 1 0 311.407 0.915 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246818165 527658859 /nfs/dbraw/zinc/65/88/59/527658859.db2.gz SDXNKHDCKQIBOV-XQQFMLRXSA-N 1 0 307.394 0.562 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000190438232 528183308 /nfs/dbraw/zinc/18/33/08/528183308.db2.gz OOBYHQHEHSQNHH-KBPBESRZSA-N 1 0 315.458 0.882 10 0 DCAERO CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000178858153 528943110 /nfs/dbraw/zinc/94/31/10/528943110.db2.gz UNUMXYZUSZNLDF-GFCCVEGCSA-N 1 0 309.414 0.792 10 0 DCAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000174936271 528987203 /nfs/dbraw/zinc/98/72/03/528987203.db2.gz VSHYFNYCOBUKEI-CYBMUJFWSA-N 1 0 317.455 0.257 10 0 DCAERO CC1(C)CN(C(=O)Cn2cnc3ccccc3c2=O)CC[NH2+]1 ZINC000175432424 529080847 /nfs/dbraw/zinc/08/08/47/529080847.db2.gz RHHNKJYLKGKEGW-UHFFFAOYSA-N 1 0 300.362 0.607 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@@H]1[NH+](C)C ZINC000123354464 545755565 /nfs/dbraw/zinc/75/55/65/545755565.db2.gz MOJDYKDTOGOSLQ-SKDRFNHKSA-N 1 0 301.387 0.979 10 0 DCAERO O=C(C[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000174018117 545884690 /nfs/dbraw/zinc/88/46/90/545884690.db2.gz WHQYPAXRARRWHA-CQSZACIVSA-N 1 0 301.390 0.971 10 0 DCAERO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000175632997 545886986 /nfs/dbraw/zinc/88/69/86/545886986.db2.gz YQBMKDVLRXEEJW-HIFRSBDPSA-N 1 0 312.458 0.879 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190500991 545924142 /nfs/dbraw/zinc/92/41/42/545924142.db2.gz YRRLMPHEYSPDNE-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192929786 545930078 /nfs/dbraw/zinc/93/00/78/545930078.db2.gz GMLNRTLCBBJSIJ-AAEUAGOBSA-N 1 0 316.423 0.771 10 0 DCAERO CS(=O)(=O)N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211326123 545937602 /nfs/dbraw/zinc/93/76/02/545937602.db2.gz ZICWQTSYAMWJPC-UHFFFAOYSA-N 1 0 309.435 0.410 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000225343631 545942925 /nfs/dbraw/zinc/94/29/25/545942925.db2.gz INDNMGPICHTHAL-UONOGXRCSA-N 1 0 304.456 0.752 10 0 DCAERO O=C(Cc1ccc(-n2cccn2)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262054256 545977911 /nfs/dbraw/zinc/97/79/11/545977911.db2.gz AIZNCTBGZUXWTA-HIFRSBDPSA-N 1 0 300.362 0.111 10 0 DCAERO CCc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1-c1ccccc1 ZINC000262212251 545980330 /nfs/dbraw/zinc/98/03/30/545980330.db2.gz IWGRGPWLHFBJNH-MLGOLLRUSA-N 1 0 314.389 0.745 10 0 DCAERO Cc1nc(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2)n[nH]1 ZINC000262229226 545981424 /nfs/dbraw/zinc/98/14/24/545981424.db2.gz KECSPKPDDDSEFZ-CHWSQXEVSA-N 1 0 301.350 0.090 10 0 DCAERO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262294631 545982921 /nfs/dbraw/zinc/98/29/21/545982921.db2.gz OYHAXBOKWSLORP-OLZOCXBDSA-N 1 0 301.346 0.960 10 0 DCAERO O=C(COc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262329038 545983962 /nfs/dbraw/zinc/98/39/62/545983962.db2.gz SCTWYIGOBNTNEN-JOYOIKCWSA-N 1 0 318.295 0.781 10 0 DCAERO O=C(CCN1C(=O)CCc2ccccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262355208 545984395 /nfs/dbraw/zinc/98/43/95/545984395.db2.gz UTELTLXHQAGMKC-DZGCQCFKSA-N 1 0 317.389 0.052 10 0 DCAERO Cc1ccn(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2)n1 ZINC000262373980 545984816 /nfs/dbraw/zinc/98/48/16/545984816.db2.gz WKCKZHIVQWBCTG-UKRRQHHQSA-N 1 0 300.362 0.491 10 0 DCAERO Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262412038 545985349 /nfs/dbraw/zinc/98/53/49/545985349.db2.gz ZIAFSWFGHYJPMZ-VHSXEESVSA-N 1 0 319.390 0.219 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2c(cc1F)NC(=O)CC2 ZINC000262378032 545985439 /nfs/dbraw/zinc/98/54/39/545985439.db2.gz MNXDSOHXRVZKLO-TVQRCGJNSA-N 1 0 307.325 0.021 10 0 DCAERO COc1cnc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nc1 ZINC000333215420 546074192 /nfs/dbraw/zinc/07/41/92/546074192.db2.gz UVNBCLKWQNQQCQ-ZDUSSCGKSA-N 1 0 323.397 0.964 10 0 DCAERO C[C@@H]1C[C@H](O)CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000333667162 546088860 /nfs/dbraw/zinc/08/88/60/546088860.db2.gz MLORORGJJVIYHM-LMPOIIKSSA-N 1 0 324.469 0.615 10 0 DCAERO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+][C@H](C)Cn3cccn3)C2)n[nH]1 ZINC000888099401 661178186 /nfs/dbraw/zinc/17/81/86/661178186.db2.gz YAGVQSWBSRSNKN-YXCITZCRSA-N 1 0 304.398 0.842 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353369644 665448933 /nfs/dbraw/zinc/44/89/33/665448933.db2.gz CLTISDHUBRQOKH-KBPBESRZSA-N 1 0 311.451 0.756 10 0 DCAERO C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)S(C)(=O)=O ZINC000724097244 657959366 /nfs/dbraw/zinc/95/93/66/657959366.db2.gz UXRLPEVQKOKQGV-RNFRBKRXSA-N 1 0 313.288 0.958 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000725026730 658030820 /nfs/dbraw/zinc/03/08/20/658030820.db2.gz HKHQWIIIHGBWFA-LBPRGKRZSA-N 1 0 305.444 0.545 10 0 DCAERO Cc1c([C@H]2C[N@H+](Cc3ccncc3F)C[C@@H]2C(N)=O)cnn1C ZINC000888078710 658724339 /nfs/dbraw/zinc/72/43/39/658724339.db2.gz NYDQFMNNSNPJBQ-KGLIPLIRSA-N 1 0 317.368 0.964 10 0 DCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723625925 658838518 /nfs/dbraw/zinc/83/85/18/658838518.db2.gz SYBGEGCVIHSXSL-XHJNMGKDSA-N 1 0 303.424 0.593 10 0 DCAERO C[C@@H](c1cccnc1)N1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261657151 661354581 /nfs/dbraw/zinc/35/45/81/661354581.db2.gz AVZRSVZQKRVSAB-AWEZNQCLSA-N 1 0 318.421 0.795 10 0 DCAERO COc1ccc(OC)c([C@H](O)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261681096 661393379 /nfs/dbraw/zinc/39/33/79/661393379.db2.gz CPCOEWQMKUITOI-CYBMUJFWSA-N 1 0 324.377 0.361 10 0 DCAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1nnnn1C1CC1 ZINC000249615499 661551779 /nfs/dbraw/zinc/55/17/79/661551779.db2.gz PAJGHWUVRXBJSR-JQWIXIFHSA-N 1 0 305.386 0.559 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328986551 661603808 /nfs/dbraw/zinc/60/38/08/661603808.db2.gz RECCKFLLFDDCNM-CHWSQXEVSA-N 1 0 302.382 0.581 10 0 DCAERO [NH3+][C@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1 ZINC000261796662 661696787 /nfs/dbraw/zinc/69/67/87/661696787.db2.gz GSZMDAUPPDPMPJ-AWEZNQCLSA-N 1 0 324.402 0.709 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261812971 661719324 /nfs/dbraw/zinc/71/93/24/661719324.db2.gz ZVYKRZOLXGGSLP-GMSGAONNSA-N 1 0 316.379 0.793 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc(-c2ccccc2)no1 ZINC000261827489 661732532 /nfs/dbraw/zinc/73/25/32/661732532.db2.gz XETNSRHXSZLESF-UHFFFAOYSA-N 1 0 315.377 0.600 10 0 DCAERO O=C(COC1CC[NH2+]CC1)NC[C@H]1COc2ccccc2O1 ZINC000261956560 661925121 /nfs/dbraw/zinc/92/51/21/661925121.db2.gz OAFWIZMVMMYRPZ-ZDUSSCGKSA-N 1 0 306.362 0.711 10 0 DCAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000721806188 662102241 /nfs/dbraw/zinc/10/22/41/662102241.db2.gz ZPKWOBRFZQLWGB-CHWSQXEVSA-N 1 0 304.456 0.751 10 0 DCAERO CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262235177 662187597 /nfs/dbraw/zinc/18/75/97/662187597.db2.gz KMBSBLOZHXQDJR-WFASDCNBSA-N 1 0 317.389 0.370 10 0 DCAERO CC(C)(CNC(=O)[C@H]1[NH2+]CCCC1(C)C)NS(C)(=O)=O ZINC000232526233 662399986 /nfs/dbraw/zinc/39/99/86/662399986.db2.gz LUSNGJABLKWOEM-SNVBAGLBSA-N 1 0 305.444 0.209 10 0 DCAERO CCOC(=O)c1csc(CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000526062627 662497722 /nfs/dbraw/zinc/49/77/22/662497722.db2.gz FWLAMBNFHSJWIO-SNVBAGLBSA-N 1 0 311.407 0.930 10 0 DCAERO COC(=O)c1cn(CN2CCC[C@@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521609 662884292 /nfs/dbraw/zinc/88/42/92/662884292.db2.gz RHMKRLPYSUKFTF-GFCCVEGCSA-N 1 0 321.381 0.260 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCS(=O)(=O)C1 ZINC000721254183 662906556 /nfs/dbraw/zinc/90/65/56/662906556.db2.gz HHRQVPYDZMQJLL-BYNQJWBRSA-N 1 0 303.424 0.593 10 0 DCAERO Cc1nc(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n[nH]1 ZINC000898180516 662943091 /nfs/dbraw/zinc/94/30/91/662943091.db2.gz CCAPHRUALHLKCJ-AWEZNQCLSA-N 1 0 318.425 0.636 10 0 DCAERO CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000900605145 663260046 /nfs/dbraw/zinc/26/00/46/663260046.db2.gz VUVNNDIWJJLSSZ-LSDHHAIUSA-N 1 0 323.437 0.568 10 0 DCAERO Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)n1 ZINC000900604697 663260128 /nfs/dbraw/zinc/26/01/28/663260128.db2.gz SUQPVMYHGPSVNM-IJEWVQPXSA-N 1 0 321.425 0.514 10 0 DCAERO NC(=O)c1cc([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000900877543 663289472 /nfs/dbraw/zinc/28/94/72/663289472.db2.gz BNLABIKKNPAURX-NSHDSACASA-N 1 0 317.393 0.310 10 0 DCAERO O=C(N[C@@H]1CCc2nccn2C1)c1cccc2[nH]c(CO)nc21 ZINC000906434570 663615331 /nfs/dbraw/zinc/61/53/31/663615331.db2.gz RZHNIJWGHAXCOG-SNVBAGLBSA-N 1 0 311.345 0.997 10 0 DCAERO Cc1noc([C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCN2C)n1 ZINC000908095315 663732950 /nfs/dbraw/zinc/73/29/50/663732950.db2.gz JQVDPQIDTJHBEB-GFCCVEGCSA-N 1 0 305.382 0.289 10 0 DCAERO O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000909191809 663786217 /nfs/dbraw/zinc/78/62/17/663786217.db2.gz UYWXJUUIWGCBCY-APIJFGDWSA-N 1 0 304.394 0.691 10 0 DCAERO O=C(N[C@H]1CCc2ncsc2C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000910846896 663944137 /nfs/dbraw/zinc/94/41/37/663944137.db2.gz PXIDOLFDERAIQX-GVXVVHGQSA-N 1 0 307.419 0.980 10 0 DCAERO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000167899609 664511795 /nfs/dbraw/zinc/51/17/95/664511795.db2.gz FBCIAGNIQVJWQJ-WFASDCNBSA-N 1 0 307.373 0.605 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cn2nc(-c3cccs3)oc2=O)CCO1 ZINC000153006968 664787247 /nfs/dbraw/zinc/78/72/47/664787247.db2.gz INSLSMRPEPTQSR-NSHDSACASA-N 1 0 324.406 0.785 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358908359 666253112 /nfs/dbraw/zinc/25/31/12/666253112.db2.gz ZCQATBLNMPYTBG-CYBMUJFWSA-N 1 0 311.451 0.900 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCc1cccc(Br)c1 ZINC000702339009 666944252 /nfs/dbraw/zinc/94/42/52/666944252.db2.gz CGJYBCUQICOUBO-NSHDSACASA-N 1 0 300.200 0.954 10 0 DCAERO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC000702846445 667010600 /nfs/dbraw/zinc/01/06/00/667010600.db2.gz QNLIFHMUSRAHCH-STQMWFEESA-N 1 0 310.398 0.738 10 0 DCAERO CCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)(C1CC1)C1CC1 ZINC000704636257 667241413 /nfs/dbraw/zinc/24/14/13/667241413.db2.gz UVCWKMHQDUKXCA-LBPRGKRZSA-N 1 0 302.440 0.833 10 0 DCAERO COC[C@@]1(C(=O)NCCC2SCCS2)C[NH2+]CCO1 ZINC000710726667 667446185 /nfs/dbraw/zinc/44/61/85/667446185.db2.gz RTQSEHMKVKBBOM-GFCCVEGCSA-N 1 0 306.453 0.304 10 0 DCAERO CC[NH+](CC)CCN1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1 ZINC000886072005 667728811 /nfs/dbraw/zinc/72/88/11/667728811.db2.gz WTURZADOPIQNEK-CABCVRRESA-N 1 0 307.442 0.571 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)CCO1 ZINC000886074637 667729212 /nfs/dbraw/zinc/72/92/12/667729212.db2.gz JNQVDWXIYKZKCS-ZDUSSCGKSA-N 1 0 322.409 0.706 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)S(=O)(=O)C2COC2)C1 ZINC000886079237 667729603 /nfs/dbraw/zinc/72/96/03/667729603.db2.gz CHVYDWYJNWTDFZ-BNOWGMLFSA-N 1 0 318.439 0.289 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000717363971 667733294 /nfs/dbraw/zinc/73/32/94/667733294.db2.gz GBYQUFJRLIWIMG-AAEUAGOBSA-N 1 0 302.415 0.965 10 0 DCAERO COc1ccc(C(=O)NC(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000127864587 669069204 /nfs/dbraw/zinc/06/92/04/669069204.db2.gz MUEKSKJLRUQDBL-UHFFFAOYSA-N 1 0 319.405 0.978 10 0 DCAERO COCCOC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717145367 669742195 /nfs/dbraw/zinc/74/21/95/669742195.db2.gz DKSFHJYNAKAOCQ-GMTAPVOTSA-N 1 0 300.321 0.222 10 0 DCAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000191264315 669999075 /nfs/dbraw/zinc/99/90/75/669999075.db2.gz UFOYUJXVJGCWHP-CHWSQXEVSA-N 1 0 312.410 0.586 10 0 DCAERO Cn1cc(C[NH2+]CCCN2CCOCC2)c(Br)n1 ZINC000712471992 670149739 /nfs/dbraw/zinc/14/97/39/670149739.db2.gz YKRLSYMYDVRTKZ-UHFFFAOYSA-N 1 0 317.231 0.995 10 0 DCAERO NC(=O)c1csc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000714334766 670184147 /nfs/dbraw/zinc/18/41/47/670184147.db2.gz KPMKGFFKSASFEL-LLVKDONJSA-N 1 0 302.421 0.904 10 0 DCAERO CC(C)(O)C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000716414815 670263591 /nfs/dbraw/zinc/26/35/91/670263591.db2.gz FLRVTVOMUSQSLW-LBPRGKRZSA-N 1 0 304.456 0.751 10 0 DCAERO Cc1nccn1CCC[N@H+]1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000859755750 671143283 /nfs/dbraw/zinc/14/32/83/671143283.db2.gz ASFCSUGJUFKTMF-CABCVRRESA-N 1 0 303.414 0.660 10 0 DCAERO CN(C)S(=O)(=O)CCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717007005 672083864 /nfs/dbraw/zinc/08/38/64/672083864.db2.gz BPBXRMMCJCJKOB-ZJUUUORDSA-N 1 0 317.377 0.479 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000389713305 685257500 /nfs/dbraw/zinc/25/75/00/685257500.db2.gz YMOFVCJQBYOHSD-CBAPKCEASA-N 1 0 301.188 0.910 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C3OCCO3)C2)C1 ZINC000718972516 685306755 /nfs/dbraw/zinc/30/67/55/685306755.db2.gz DQVIUKWVLULHTJ-CHWSQXEVSA-N 1 0 318.439 0.353 10 0 DCAERO CS(=O)(=O)CCCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720799506 685314416 /nfs/dbraw/zinc/31/44/16/685314416.db2.gz ZYQYWSLAXAJYOD-UWVGGRQHSA-N 1 0 302.362 0.880 10 0 DCAERO CO[C@]1(C[NH2+][C@H]2CCOC3(CCC3)C2)CCS(=O)(=O)C1 ZINC000720930200 685317132 /nfs/dbraw/zinc/31/71/32/685317132.db2.gz GCVAYUJNUJGSPH-JSGCOSHPSA-N 1 0 303.424 0.881 10 0 DCAERO 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395829111 /nfs/dbraw/zinc/82/91/11/395829111.db2.gz IJOYBSMFCKRICR-CHWSQXEVSA-N 1 0 320.393 0.774 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114483316 395834881 /nfs/dbraw/zinc/83/48/81/395834881.db2.gz OFMWMUPMRBEUHD-ZDUSSCGKSA-N 1 0 308.382 0.958 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CNC(=O)c2ccccc2)CCO1 ZINC000116978286 395850354 /nfs/dbraw/zinc/85/03/54/395850354.db2.gz MYUIIWUKJXWWFE-AWEZNQCLSA-N 1 0 305.378 0.205 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCS(C)(=O)=O)CC1 ZINC000109751914 395798831 /nfs/dbraw/zinc/79/88/31/395798831.db2.gz DVWXJGARXXKDAC-HNNXBMFYSA-N 1 0 317.499 0.523 10 0 DCAERO COc1nc(N2CCN(C)C[C@@H]2C[NH3+])ncc1Br ZINC000235023280 395892280 /nfs/dbraw/zinc/89/22/80/395892280.db2.gz KASYONAVOMNNJV-QMMMGPOBSA-N 1 0 316.203 0.327 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000054267091 395896661 /nfs/dbraw/zinc/89/66/61/395896661.db2.gz GOKOBTTXPKBPFV-UHFFFAOYSA-N 1 0 316.379 0.713 10 0 DCAERO 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/nfs/dbraw/zinc/97/32/53/395973253.db2.gz YLDQPGDZTAAPGN-HUUCEWRRSA-N 1 0 315.483 0.828 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000247465411 395974199 /nfs/dbraw/zinc/97/41/99/395974199.db2.gz REEZSRDSVHTRBQ-WFASDCNBSA-N 1 0 312.377 0.971 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1nnnn1C1CC1 ZINC000247507032 395974958 /nfs/dbraw/zinc/97/49/58/395974958.db2.gz VMQGOINWQFCRAA-JQWIXIFHSA-N 1 0 322.438 0.795 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)[C@@H](C)C1 ZINC000247511875 395975377 /nfs/dbraw/zinc/97/53/77/395975377.db2.gz VSWDWTRSCKMKBB-SMDDNHRTSA-N 1 0 304.394 0.983 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1C ZINC000247562548 395976518 /nfs/dbraw/zinc/97/65/18/395976518.db2.gz ZSJWZIOXVMBWIZ-FRRDWIJNSA-N 1 0 317.455 0.352 10 0 DCAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151288227 395982871 /nfs/dbraw/zinc/98/28/71/395982871.db2.gz OOSMUQWXBFISKP-HIFRSBDPSA-N 1 0 313.442 0.948 10 0 DCAERO 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AZVKCWWFIUSPQI-CABCVRRESA-N 1 0 312.458 0.689 10 0 DCAERO COc1cc(CNC2=[NH+]CCCN2)ccc1OCC(=O)N(C)C ZINC000261761686 396062723 /nfs/dbraw/zinc/06/27/23/396062723.db2.gz LLHBVTIABZRGPL-UHFFFAOYSA-N 1 0 320.393 0.601 10 0 DCAERO CCCNC(=O)NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261757726 396062915 /nfs/dbraw/zinc/06/29/15/396062915.db2.gz MOGXFTJMPZGMPN-UHFFFAOYSA-N 1 0 306.410 0.726 10 0 DCAERO COc1ccccc1[C@H]1C[NH2+]CCN1CCN1CCOCC1 ZINC000261773767 396064484 /nfs/dbraw/zinc/06/44/84/396064484.db2.gz OWRQGZMVXFHRRF-MRXNPFEDSA-N 1 0 305.422 0.974 10 0 DCAERO C[C@@H](NC(=O)CNC(=O)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000159286316 396066734 /nfs/dbraw/zinc/06/67/34/396066734.db2.gz XRMMOSYXJPTAAR-GFCCVEGCSA-N 1 0 306.410 0.904 10 0 DCAERO CCOCCN1CCN(C(=O)C2([NH3+])CCOCC2)C[C@@H]1CC ZINC000261866235 396073673 /nfs/dbraw/zinc/07/36/73/396073673.db2.gz NNLYXDKCYHYQBN-AWEZNQCLSA-N 1 0 313.442 0.454 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249576641 396009413 /nfs/dbraw/zinc/00/94/13/396009413.db2.gz PQJQFFCFFLVDGB-DLOVCJGASA-N 1 0 311.407 0.600 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC(=O)N1CCCCC1 ZINC000261979406 396086800 /nfs/dbraw/zinc/08/68/00/396086800.db2.gz ZZMCXBKUJCALCE-MRRJBJDNSA-N 1 0 323.437 0.648 10 0 DCAERO Cn1cc(CN(CC[NH3+])CCc2ccccc2)c(=O)n(C)c1=O ZINC000261989276 396087246 /nfs/dbraw/zinc/08/72/46/396087246.db2.gz KBMVNHLXWHMDNP-UHFFFAOYSA-N 1 0 316.405 0.087 10 0 DCAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000262013220 396090000 /nfs/dbraw/zinc/09/00/00/396090000.db2.gz VTKVORPXYNHMKN-YJNKXOJESA-N 1 0 310.442 0.537 10 0 DCAERO C[NH+](C)C[C@@H]1CN(c2ccncn2)C[C@H]1NC(=O)c1cnco1 ZINC000169791048 396093591 /nfs/dbraw/zinc/09/35/91/396093591.db2.gz UOUOYIAFGPNSQX-VXGBXAGGSA-N 1 0 316.365 0.261 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(-n2cncn2)cc1 ZINC000262178099 396107215 /nfs/dbraw/zinc/10/72/15/396107215.db2.gz KSYQDMCVXADJIG-TZMCWYRMSA-N 1 0 315.377 0.823 10 0 DCAERO CCNC(=O)CN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262173088 396107242 /nfs/dbraw/zinc/10/72/42/396107242.db2.gz VKHKZSYPBIPJTH-CYBMUJFWSA-N 1 0 305.426 0.500 10 0 DCAERO O=C(Cn1nnc(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586133 396119319 /nfs/dbraw/zinc/11/93/19/396119319.db2.gz JDBGJWUJIKMVTA-AWEZNQCLSA-N 1 0 312.377 0.647 10 0 DCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccco1 ZINC000171607244 396119732 /nfs/dbraw/zinc/11/97/32/396119732.db2.gz QGWNUFSVTNCPQW-CYBMUJFWSA-N 1 0 320.393 0.889 10 0 DCAERO COc1cc(CN2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262295101 396119907 /nfs/dbraw/zinc/11/99/07/396119907.db2.gz YJAGYWXEIHTOHZ-CQSZACIVSA-N 1 0 319.405 0.614 10 0 DCAERO Cc1nc(Cl)cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000071893784 396123838 /nfs/dbraw/zinc/12/38/38/396123838.db2.gz KUAUYMDXXOCPTJ-LBPRGKRZSA-N 1 0 313.833 0.483 10 0 DCAERO COC(=O)CSCc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262339539 396127148 /nfs/dbraw/zinc/12/71/48/396127148.db2.gz ADXSRPRWSQYSIQ-CHWSQXEVSA-N 1 0 324.402 0.754 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000262347861 396128572 /nfs/dbraw/zinc/12/85/72/396128572.db2.gz UETKRNYIIOHXDK-UHFFFAOYSA-N 1 0 318.830 0.838 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN(c2ncccn2)CC1 ZINC000174434134 396138024 /nfs/dbraw/zinc/13/80/24/396138024.db2.gz NGDPRSBRRZLYLF-CYBMUJFWSA-N 1 0 321.450 0.657 10 0 DCAERO COC(=O)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1ccc(C)cc1 ZINC000261886002 396075941 /nfs/dbraw/zinc/07/59/41/396075941.db2.gz PXFVHZUYYVGMAT-AWEZNQCLSA-N 1 0 320.389 0.876 10 0 DCAERO Cn1c(CCNC(=O)C2([NH3+])CCOCC2)nc2c1cccc2F ZINC000261884633 396075961 /nfs/dbraw/zinc/07/59/61/396075961.db2.gz PSORMNUVHUCYEV-UHFFFAOYSA-N 1 0 320.368 0.879 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1=O ZINC000261901952 396078116 /nfs/dbraw/zinc/07/81/16/396078116.db2.gz HUUQEHPNXLBPKA-SJJUBHFPSA-N 1 0 307.438 0.742 10 0 DCAERO C[N@H+](CCCn1ccnc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297801 396079869 /nfs/dbraw/zinc/07/98/69/396079869.db2.gz VWCBYGCAOFLHLQ-CQSZACIVSA-N 1 0 314.455 0.877 10 0 DCAERO CC(=O)NCc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263197104 396205894 /nfs/dbraw/zinc/20/58/94/396205894.db2.gz IOEKIXAFPHWLFH-AWEZNQCLSA-N 1 0 315.377 0.949 10 0 DCAERO Cc1nc(COc2ccc(CNC[C@@H]3C[NH2+]C[C@H]3O)cc2)no1 ZINC000263234219 396207662 /nfs/dbraw/zinc/20/76/62/396207662.db2.gz NTLAWLXMNYFRLR-UKRRQHHQSA-N 1 0 318.377 0.627 10 0 DCAERO CN1C(=O)C[C@H](NC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000263258262 396209307 /nfs/dbraw/zinc/20/93/07/396209307.db2.gz FZQZSAKQTDOEDS-JSGCOSHPSA-N 1 0 307.781 0.947 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000176222607 396151756 /nfs/dbraw/zinc/15/17/56/396151756.db2.gz QYKLMFQQAAJJFT-GJZGRUSLSA-N 1 0 316.405 0.395 10 0 DCAERO O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262542125 396153207 /nfs/dbraw/zinc/15/32/07/396153207.db2.gz RHOQPIXUVGHYRV-WOPDTQHZSA-N 1 0 306.387 0.774 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000176288928 396153755 /nfs/dbraw/zinc/15/37/55/396153755.db2.gz HRGIKNLEVDOAEV-CYBMUJFWSA-N 1 0 305.378 0.717 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C[C@@H]1CC ZINC000263279520 396211022 /nfs/dbraw/zinc/21/10/22/396211022.db2.gz UCQWMHLIRLPFPV-QWHCGFSZSA-N 1 0 319.396 0.943 10 0 DCAERO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000177613610 396179385 /nfs/dbraw/zinc/17/93/85/396179385.db2.gz KFSNWANFMSJFQK-TZMCWYRMSA-N 1 0 304.394 0.405 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000177676457 396181040 /nfs/dbraw/zinc/18/10/40/396181040.db2.gz YZHJBFGEDGXZGD-CQSZACIVSA-N 1 0 305.378 0.723 10 0 DCAERO Cc1ccncc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177677608 396181085 /nfs/dbraw/zinc/18/10/85/396181085.db2.gz HJWQOFKETGLZBO-GFCCVEGCSA-N 1 0 306.366 0.118 10 0 DCAERO COc1ncc(C)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177682493 396181379 /nfs/dbraw/zinc/18/13/79/396181379.db2.gz AKOMHKJWLKOVOV-LBPRGKRZSA-N 1 0 318.377 0.644 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCO1 ZINC000177679633 396181424 /nfs/dbraw/zinc/18/14/24/396181424.db2.gz IWPUQARFPSGBKB-ZDUSSCGKSA-N 1 0 309.341 0.553 10 0 DCAERO C[NH2+]CC(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1OC ZINC000262790489 396182324 /nfs/dbraw/zinc/18/23/24/396182324.db2.gz RMSATWVFPIQJFK-GFCCVEGCSA-N 1 0 310.350 0.644 10 0 DCAERO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000076058603 396194605 /nfs/dbraw/zinc/19/46/05/396194605.db2.gz SYFCOQOAFZHEAJ-WCQYABFASA-N 1 0 305.444 0.272 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263289244 396212184 /nfs/dbraw/zinc/21/21/84/396212184.db2.gz VKNOJAYRIDNOMY-GXSJLCMTSA-N 1 0 305.338 0.730 10 0 DCAERO COC(C)(C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000178584352 396200411 /nfs/dbraw/zinc/20/04/11/396200411.db2.gz AQPMBFPKCKRAOP-HNNXBMFYSA-N 1 0 306.406 0.947 10 0 DCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263153336 396203472 /nfs/dbraw/zinc/20/34/72/396203472.db2.gz DFPBAQOANXILAU-WDEREUQCSA-N 1 0 302.321 0.967 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2n[nH]c(=O)c3ccccc32)n1 ZINC000263166049 396204193 /nfs/dbraw/zinc/20/41/93/396204193.db2.gz FDXKTOXXWJAKHL-NSHDSACASA-N 1 0 312.333 0.549 10 0 DCAERO COc1ccc([C@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)cc1 ZINC000263301117 396212643 /nfs/dbraw/zinc/21/26/43/396212643.db2.gz NJRPHPUFEJOJOK-INIZCTEOSA-N 1 0 319.405 0.404 10 0 DCAERO Cc1nc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c(C)s1 ZINC000178886607 396212669 /nfs/dbraw/zinc/21/26/69/396212669.db2.gz NKAYVTZHMLZNMY-LBPRGKRZSA-N 1 0 313.423 0.525 10 0 DCAERO COC(=O)CC[N@@H+]1CCN(Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000182123589 396246929 /nfs/dbraw/zinc/24/69/29/396246929.db2.gz NEYXJUHXFPVJIU-GFCCVEGCSA-N 1 0 310.402 0.323 10 0 DCAERO COC(=O)CC[N@@H+]1CCN(Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000182123606 396246979 /nfs/dbraw/zinc/24/69/79/396246979.db2.gz NEYXJUHXFPVJIU-LBPRGKRZSA-N 1 0 310.402 0.323 10 0 DCAERO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000183169563 396264166 /nfs/dbraw/zinc/26/41/66/396264166.db2.gz UGNLUSHVYKRZDC-RISCZKNCSA-N 1 0 314.407 0.870 10 0 DCAERO Cc1c([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)cnn1C ZINC000183377757 396268153 /nfs/dbraw/zinc/26/81/53/396268153.db2.gz VSUHUYJXUDRJBO-JQWIXIFHSA-N 1 0 307.398 0.103 10 0 DCAERO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1C ZINC000183377775 396268211 /nfs/dbraw/zinc/26/82/11/396268211.db2.gz VSUHUYJXUDRJBO-ZYHUDNBSSA-N 1 0 307.398 0.103 10 0 DCAERO O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263342609 396214204 /nfs/dbraw/zinc/21/42/04/396214204.db2.gz YBDOTUJUZPVZCQ-HNNXBMFYSA-N 1 0 317.389 0.431 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185032246 396315241 /nfs/dbraw/zinc/31/52/41/396315241.db2.gz ZQZCBFHSQLPYKB-CYBMUJFWSA-N 1 0 321.425 0.871 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@@H]12 ZINC000185095892 396317614 /nfs/dbraw/zinc/31/76/14/396317614.db2.gz SCRPUGGZMYAGCI-DJLDLDEBSA-N 1 0 309.288 0.471 10 0 DCAERO C[NH+](C)CCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000184172203 396287045 /nfs/dbraw/zinc/28/70/45/396287045.db2.gz CJBCUJLTBUBVHK-UHFFFAOYSA-N 1 0 316.365 0.478 10 0 DCAERO CC1(Cn2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)nn2)COC1 ZINC000184800329 396306834 /nfs/dbraw/zinc/30/68/34/396306834.db2.gz JKVMPBKMFYBAJH-GFCCVEGCSA-N 1 0 305.382 0.235 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000184823051 396307791 /nfs/dbraw/zinc/30/77/91/396307791.db2.gz BCVUXTFTOMKZDS-GJZGRUSLSA-N 1 0 319.405 0.945 10 0 DCAERO C[NH+](C)CCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185495241 396328719 /nfs/dbraw/zinc/32/87/19/396328719.db2.gz LPANAOPQDXNRFX-UHFFFAOYSA-N 1 0 322.413 0.790 10 0 DCAERO Cc1cnn(CCNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000185735280 396334151 /nfs/dbraw/zinc/33/41/51/396334151.db2.gz JQVWESQJVYSYHR-HNNXBMFYSA-N 1 0 322.457 0.517 10 0 DCAERO 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/nfs/dbraw/zinc/36/79/41/396367941.db2.gz YIAOPKOMTVGOEE-ZIAGYGMSSA-N 1 0 301.350 0.503 10 0 DCAERO COc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1OC ZINC000188777073 396385459 /nfs/dbraw/zinc/38/54/59/396385459.db2.gz NHURNBHFSCEOBZ-LBPRGKRZSA-N 1 0 308.378 0.842 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000189201616 396392032 /nfs/dbraw/zinc/39/20/32/396392032.db2.gz OWJKILMDIGJEEH-UONOGXRCSA-N 1 0 303.362 0.894 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCOCC3)n2)[C@@H](C)C1 ZINC000189927014 396400957 /nfs/dbraw/zinc/40/09/57/396400957.db2.gz BYRLTBKDVYEUDF-QWHCGFSZSA-N 1 0 324.425 0.851 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000190951251 396413333 /nfs/dbraw/zinc/41/33/33/396413333.db2.gz OBBSOXRSKGCJBG-JSGCOSHPSA-N 1 0 319.409 0.610 10 0 DCAERO CC(=O)N1CC(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000191878429 396426573 /nfs/dbraw/zinc/42/65/73/396426573.db2.gz YVGIDPSWEAIBNX-INIZCTEOSA-N 1 0 322.453 0.093 10 0 DCAERO 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/nfs/dbraw/zinc/30/26/84/159302684.db2.gz UIUHUIRPFYKXJQ-NSHDSACASA-N 1 0 311.407 0.427 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000407987433 160003971 /nfs/dbraw/zinc/00/39/71/160003971.db2.gz QCBNXBALYJSZIB-NEPJUHHUSA-N 1 0 311.430 0.430 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018155 160012796 /nfs/dbraw/zinc/01/27/96/160012796.db2.gz PSKSDBVOAWALAT-CHWSQXEVSA-N 1 0 317.455 0.641 10 0 DCAERO Cc1cc(C)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c(=O)[nH]1 ZINC000408026402 160014520 /nfs/dbraw/zinc/01/45/20/160014520.db2.gz DRMQHCJDAJXEIY-AWEZNQCLSA-N 1 0 304.394 0.410 10 0 DCAERO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cc[nH]n2)CC1 ZINC000408032086 160016388 /nfs/dbraw/zinc/01/63/88/160016388.db2.gz RNPDLEJKWKHMHG-OAHLLOKOSA-N 1 0 303.410 0.506 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000408054859 160024475 /nfs/dbraw/zinc/02/44/75/160024475.db2.gz OXUAUQBBCZGNSY-INIZCTEOSA-N 1 0 311.426 0.208 10 0 DCAERO 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000079252225 286923922 /nfs/dbraw/zinc/92/39/22/286923922.db2.gz IPZOGTYZRXDITI-GJZGRUSLSA-N 1 0 314.474 0.983 10 0 DCAERO COC[C@](C)(CCO)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000136011541 287025293 /nfs/dbraw/zinc/02/52/93/287025293.db2.gz OWQHGPBNCYSMNA-AWEZNQCLSA-N 1 0 313.402 0.354 10 0 DCAERO COc1cc(N2CCN(CCN3CCO[C@H](C)C3)CC2)ncn1 ZINC000192799034 287060104 /nfs/dbraw/zinc/06/01/04/287060104.db2.gz GGIRHLLNPOFNFH-CQSZACIVSA-N 1 0 321.425 0.328 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000245934838 287074450 /nfs/dbraw/zinc/07/44/50/287074450.db2.gz RLAIOUWDZCROOA-CRWXNKLISA-N 1 0 321.421 0.713 10 0 DCAERO CC1CC[NH+](CCNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000246215653 287079308 /nfs/dbraw/zinc/07/93/08/287079308.db2.gz PONUDSGNMDDGLN-KGLIPLIRSA-N 1 0 319.471 0.662 10 0 DCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000246195434 287078822 /nfs/dbraw/zinc/07/88/22/287078822.db2.gz OIYLBPWKCSKTHB-XQQFMLRXSA-N 1 0 305.444 0.414 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000246388116 287082829 /nfs/dbraw/zinc/08/28/29/287082829.db2.gz SCWIUWMKEPVZPO-ZIAGYGMSSA-N 1 0 320.455 0.131 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000246569916 287085328 /nfs/dbraw/zinc/08/53/28/287085328.db2.gz LWHZSPVWEBRMSO-KFWWJZLASA-N 1 0 313.442 0.900 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000246739942 287087415 /nfs/dbraw/zinc/08/74/15/287087415.db2.gz AYFYBUKYSVTWLV-NWDGAFQWSA-N 1 0 310.398 0.163 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662280 287099487 /nfs/dbraw/zinc/09/94/87/287099487.db2.gz YFFKPJZJYZFDLS-JSGCOSHPSA-N 1 0 319.409 0.419 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2c(c1)nnn2C ZINC000248415414 287096896 /nfs/dbraw/zinc/09/68/96/287096896.db2.gz OBZLPYUVTBHJCB-JQWIXIFHSA-N 1 0 300.366 0.672 10 0 DCAERO 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CC[C@@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000120698458 415780294 /nfs/dbraw/zinc/78/02/94/415780294.db2.gz TVNZLMOQGFCYLJ-UKRRQHHQSA-N 1 0 322.453 0.994 10 0 DCAERO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000334069807 415796726 /nfs/dbraw/zinc/79/67/26/415796726.db2.gz GJGLOLZVCLXHOJ-HZSPNIEDSA-N 1 0 322.413 0.344 10 0 DCAERO COCCS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000121352320 415801424 /nfs/dbraw/zinc/80/14/24/415801424.db2.gz RNVJGJONUWYTTD-CQSZACIVSA-N 1 0 300.424 0.725 10 0 DCAERO CS(=O)(=O)CC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000121781717 415817567 /nfs/dbraw/zinc/81/75/67/415817567.db2.gz YHOCEMLVCSZOQG-AGIUHOORSA-N 1 0 314.451 0.848 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000127690251 415889311 /nfs/dbraw/zinc/88/93/11/415889311.db2.gz KDODJEJYISVXQP-GFCCVEGCSA-N 1 0 314.430 0.169 10 0 DCAERO COC(=O)CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128652143 415901005 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CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000172602244 416047726 /nfs/dbraw/zinc/04/77/26/416047726.db2.gz MOEBHTBHDIDXOW-ZDUSSCGKSA-N 1 0 306.414 0.576 10 0 DCAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844084 416049133 /nfs/dbraw/zinc/04/91/33/416049133.db2.gz GNTYMMGMINUREO-HIFRSBDPSA-N 1 0 307.442 0.793 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357295994 416058109 /nfs/dbraw/zinc/05/81/09/416058109.db2.gz DKDLRTLHHWDMEB-ZDUSSCGKSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173799996 416066226 /nfs/dbraw/zinc/06/62/26/416066226.db2.gz HHVAFAYJSJFEHB-HOTGVXAUSA-N 1 0 324.469 0.977 10 0 DCAERO COc1nc(N2CCO[C@H]([C@H](C)[NH3+])C2)ncc1Br ZINC000300264095 416073172 /nfs/dbraw/zinc/07/31/72/416073172.db2.gz ZNJPBKIMELQQKF-CBAPKCEASA-N 1 0 317.187 0.800 10 0 DCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338302626 416074793 /nfs/dbraw/zinc/07/47/93/416074793.db2.gz 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416097288 /nfs/dbraw/zinc/09/72/88/416097288.db2.gz JACHOHCBRKWVPR-ZDUSSCGKSA-N 1 0 322.471 0.377 10 0 DCAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000175114133 416098060 /nfs/dbraw/zinc/09/80/60/416098060.db2.gz KGDCYANKJIAGOI-OLZOCXBDSA-N 1 0 306.414 0.719 10 0 DCAERO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CC(N)=O)C3)C2=O)n(C)n1 ZINC000175264620 416101467 /nfs/dbraw/zinc/10/14/67/416101467.db2.gz CUKIHTMQENPMSP-OLZOCXBDSA-N 1 0 319.409 0.421 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175609183 416110415 /nfs/dbraw/zinc/11/04/15/416110415.db2.gz RXKZYKGABZVTDW-GJZGRUSLSA-N 1 0 312.458 0.690 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c(C)n1 ZINC000178081092 416156153 /nfs/dbraw/zinc/15/61/53/416156153.db2.gz NOTFGFHLVVFMAR-UHFFFAOYSA-N 1 0 320.393 0.890 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000175851070 416114936 /nfs/dbraw/zinc/11/49/36/416114936.db2.gz QBURMUPGFOLUEG-LBPRGKRZSA-N 1 0 312.414 0.951 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000176362393 416123265 /nfs/dbraw/zinc/12/32/65/416123265.db2.gz MVLHRJKIZCKXPU-STQMWFEESA-N 1 0 319.471 0.935 10 0 DCAERO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000177471229 416146286 /nfs/dbraw/zinc/14/62/86/416146286.db2.gz VMBZWNKRMPPMRZ-JSGCOSHPSA-N 1 0 318.439 0.543 10 0 DCAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000329189363 416154116 /nfs/dbraw/zinc/15/41/16/416154116.db2.gz QRIOBULOCMXEJU-STQMWFEESA-N 1 0 305.382 0.579 10 0 DCAERO [NH3+][C@H](CNC(=O)CN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000179577791 416190751 /nfs/dbraw/zinc/19/07/51/416190751.db2.gz OWPYBDPASOYUEU-QGZVFWFLSA-N 1 0 316.449 0.658 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCOCCO ZINC000181672318 416209901 /nfs/dbraw/zinc/20/99/01/416209901.db2.gz IQRFKCAVSUXCEF-CQSZACIVSA-N 1 0 301.431 0.805 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4cncc4C3)[C@H]2C1 ZINC000329251527 416157781 /nfs/dbraw/zinc/15/77/81/416157781.db2.gz BMQHCBJVIOBMTJ-CWRNSKLLSA-N 1 0 318.421 0.767 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000178523950 416164570 /nfs/dbraw/zinc/16/45/70/416164570.db2.gz JKJBIWOCOSWWKF-STQMWFEESA-N 1 0 312.410 0.633 10 0 DCAERO CC(C)(C)[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(N)=O ZINC000183387056 416240468 /nfs/dbraw/zinc/24/04/68/416240468.db2.gz KYUCHXHCMBXEKI-LBPRGKRZSA-N 1 0 314.430 0.298 10 0 DCAERO CNC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000183568226 416246518 /nfs/dbraw/zinc/24/65/18/416246518.db2.gz UZHPXSAFEVWJCH-GJZGRUSLSA-N 1 0 319.405 0.133 10 0 DCAERO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC)C12CCOCC2 ZINC000187175728 416259796 /nfs/dbraw/zinc/25/97/96/416259796.db2.gz UDDDZYMBJZYZNC-NEPJUHHUSA-N 1 0 306.428 0.099 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cn1)nc[nH]c2=O ZINC000188520252 416261964 /nfs/dbraw/zinc/26/19/64/416261964.db2.gz MFWKOVNRTFAOPR-SNVBAGLBSA-N 1 0 313.361 0.532 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000246825557 416332339 /nfs/dbraw/zinc/33/23/39/416332339.db2.gz WWUIXXHFMHEKKT-RDBSUJKOSA-N 1 0 308.426 0.874 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247447463 416332875 /nfs/dbraw/zinc/33/28/75/416332875.db2.gz SLZPHXRLWFSLAK-BZUAXINKSA-N 1 0 324.469 0.831 10 0 DCAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCNC(=O)CC2)[C@H]1c1ccccc1 ZINC000247922908 416333073 /nfs/dbraw/zinc/33/30/73/416333073.db2.gz CCLRCBZSTAZKRO-GDBMZVCRSA-N 1 0 316.405 0.963 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000248054417 416333198 /nfs/dbraw/zinc/33/31/98/416333198.db2.gz WYDWONZMMLCATC-BLLLJJGKSA-N 1 0 309.410 0.944 10 0 DCAERO CC1=C(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)n2ncnc2N1C ZINC000248665246 416333841 /nfs/dbraw/zinc/33/38/41/416333841.db2.gz LQDJCPOLZHQLPO-OLZOCXBDSA-N 1 0 316.409 0.870 10 0 DCAERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)N1 ZINC000248679047 416333921 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/nfs/dbraw/zinc/01/12/11/272011211.db2.gz GFZWRTNMSFPAMJ-UHFFFAOYSA-N 1 0 313.442 0.408 10 0 DCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488737426 272049845 /nfs/dbraw/zinc/04/98/45/272049845.db2.gz WYAVZJKFNLGYRI-MCIONIFRSA-N 1 0 312.410 0.633 10 0 DCAERO CCC[NH+]1CCC(NC(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408043514 276004617 /nfs/dbraw/zinc/00/46/17/276004617.db2.gz POSOHXCOKZTJOS-INIZCTEOSA-N 1 0 311.426 0.350 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)N(C)CCC[NH+](C)C)n1cccn1 ZINC000538314277 287877559 /nfs/dbraw/zinc/87/75/59/287877559.db2.gz CBGYFBQJORSWKZ-ZDUSSCGKSA-N 1 0 309.414 0.313 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(O)CCCN(C(C)=O)C1 ZINC000408050227 276377310 /nfs/dbraw/zinc/37/73/10/276377310.db2.gz CKMNUCCMGYJKRY-HOCLYGCPSA-N 1 0 311.426 0.303 10 0 DCAERO Cn1ncc(N2CC[C@H]([NH+](C)C)C2)c(Br)c1=O ZINC000301271535 276874358 /nfs/dbraw/zinc/87/43/58/276874358.db2.gz XYGGOAITSLAJCR-QMMMGPOBSA-N 1 0 301.188 0.683 10 0 DCAERO 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/nfs/dbraw/zinc/94/80/58/287948058.db2.gz DZCANQBRCSDIKN-WOPDTQHZSA-N 1 0 303.428 0.298 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000329512892 278068486 /nfs/dbraw/zinc/06/84/86/278068486.db2.gz XWKPKIUVDYNDDE-SPWCGHHHSA-N 1 0 309.410 0.053 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000188696930 278073156 /nfs/dbraw/zinc/07/31/56/278073156.db2.gz IMVQMHZJRIHSSE-NWANDNLSSA-N 1 0 311.426 0.206 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000193665856 278073183 /nfs/dbraw/zinc/07/31/83/278073183.db2.gz ZTDDOZWZFYMUSZ-RBSFLKMASA-N 1 0 311.426 0.205 10 0 DCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333783337 278100283 /nfs/dbraw/zinc/10/02/83/278100283.db2.gz DZPOSKIIBARAGA-KBUPBQIOSA-N 1 0 310.442 0.489 10 0 DCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245515980 278263739 /nfs/dbraw/zinc/26/37/39/278263739.db2.gz FHYOBYAQPASRBJ-ZWKOTPCHSA-N 1 0 324.513 0.809 10 0 DCAERO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547272954 288035475 /nfs/dbraw/zinc/03/54/75/288035475.db2.gz RKEYQEFSQIKMQQ-KBPBESRZSA-N 1 0 308.426 0.852 10 0 DCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c2c(n1)onc2C(C)C ZINC000262220313 278646467 /nfs/dbraw/zinc/64/64/67/278646467.db2.gz JKYRPVZSXRQLEA-ZYHUDNBSSA-N 1 0 318.377 0.965 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173799050 279143550 /nfs/dbraw/zinc/14/35/50/279143550.db2.gz IOICCCTWFRLYNH-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000174092782 288112261 /nfs/dbraw/zinc/11/22/61/288112261.db2.gz RVGIHBYXSRJPGR-MNOVXSKESA-N 1 0 311.348 0.442 10 0 DCAERO CCOc1cccnc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262319299 279979865 /nfs/dbraw/zinc/97/98/65/279979865.db2.gz QBWPUJAEQDPFSY-ZDUSSCGKSA-N 1 0 304.394 0.600 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245529353 280020039 /nfs/dbraw/zinc/02/00/39/280020039.db2.gz WVWNLHIPZABDKI-KBPBESRZSA-N 1 0 304.456 0.943 10 0 DCAERO CC(C)[C@@H]1N(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@]12CCCO2 ZINC000333677782 280046985 /nfs/dbraw/zinc/04/69/85/280046985.db2.gz OHWBPDRBQLIGBT-IJEWVQPXSA-N 1 0 311.426 0.964 10 0 DCAERO COc1ncccc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000550921755 288221297 /nfs/dbraw/zinc/22/12/97/288221297.db2.gz AFZUAHCHKYGIRR-UHFFFAOYSA-N 1 0 308.382 0.117 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173264610 288231045 /nfs/dbraw/zinc/23/10/45/288231045.db2.gz LLOBKQVLBXSRKI-YIYPIFLZSA-N 1 0 319.471 0.755 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@@H](C)O1 ZINC000247315658 288235342 /nfs/dbraw/zinc/23/53/42/288235342.db2.gz OHSCJCXWIQUVJW-SYQHCUMBSA-N 1 0 317.455 0.509 10 0 DCAERO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553069634 288285803 /nfs/dbraw/zinc/28/58/03/288285803.db2.gz JUAJIRAXSREJFY-SECBINFHSA-N 1 0 304.306 0.198 10 0 DCAERO 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CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000266745754 519453466 /nfs/dbraw/zinc/45/34/66/519453466.db2.gz MABGCBBQINHYDX-NSHDSACASA-N 1 0 320.393 0.674 10 0 DCAERO CC(=O)NC1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000189951598 519647728 /nfs/dbraw/zinc/64/77/28/519647728.db2.gz MVWLFQHPTQILOU-UHFFFAOYSA-N 1 0 304.394 0.648 10 0 DCAERO CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000191490335 519648898 /nfs/dbraw/zinc/64/88/98/519648898.db2.gz SQGXLBCAZUSUDQ-MRXNPFEDSA-N 1 0 301.390 0.998 10 0 DCAERO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1=O ZINC000246590991 519667053 /nfs/dbraw/zinc/66/70/53/519667053.db2.gz IMTALCAXQOVSRI-RNJOBUHISA-N 1 0 307.394 0.559 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000245709150 519695789 /nfs/dbraw/zinc/69/57/89/519695789.db2.gz ZCCFYWBZJKPXEK-GXSJLCMTSA-N 1 0 315.395 0.386 10 0 DCAERO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000151609810 521148180 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/nfs/dbraw/zinc/90/23/48/545902348.db2.gz PJXQSXBCLNWLHC-UHFFFAOYSA-N 1 0 320.441 0.288 10 0 DCAERO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)CN2CCCC2=O)cc1 ZINC000182393881 545905416 /nfs/dbraw/zinc/90/54/16/545905416.db2.gz MUTBSSLINFIRTB-GOEBONIOSA-N 1 0 322.405 0.692 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000193685330 545931466 /nfs/dbraw/zinc/93/14/66/545931466.db2.gz QCKRECSRSUVTJY-JTQLQIEISA-N 1 0 308.407 0.563 10 0 DCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000248656049 545969170 /nfs/dbraw/zinc/96/91/70/545969170.db2.gz QZPJZTDEILLHQT-OLZOCXBDSA-N 1 0 308.444 0.178 10 0 DCAERO O=C(Cc1csc(-c2cccnc2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262112737 545979086 /nfs/dbraw/zinc/97/90/86/545979086.db2.gz FKVLZACPPVCBMW-YPMHNXCESA-N 1 0 318.402 0.444 10 0 DCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c2cnn(C(C)C)c2n1 ZINC000262224907 545981029 /nfs/dbraw/zinc/98/10/29/545981029.db2.gz JTVFFHFPLUDMKF-RISCZKNCSA-N 1 0 317.393 0.631 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ncccc1OCC(F)(F)F ZINC000262222038 545981096 /nfs/dbraw/zinc/98/10/96/545981096.db2.gz JONMBUSWDNFVPH-IUCAKERBSA-N 1 0 319.283 0.333 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ncccc1OCC(F)(F)F ZINC000262222037 545981392 /nfs/dbraw/zinc/98/13/92/545981392.db2.gz JONMBUSWDNFVPH-DTWKUNHWSA-N 1 0 319.283 0.333 10 0 DCAERO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262294635 545982605 /nfs/dbraw/zinc/98/26/05/545982605.db2.gz OYHAXBOKWSLORP-QWHCGFSZSA-N 1 0 301.346 0.960 10 0 DCAERO CC(C)Cn1ncc2cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262296836 545982953 /nfs/dbraw/zinc/98/29/53/545982953.db2.gz PEVUGVHFKVNFCE-KBPBESRZSA-N 1 0 317.393 0.397 10 0 DCAERO O=C(Cc1ccc(OC(F)F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262337622 545983880 /nfs/dbraw/zinc/98/38/80/545983880.db2.gz SUQMYWYQERFDKS-PWSUYJOCSA-N 1 0 300.305 0.527 10 0 DCAERO Cc1ccn(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2)n1 ZINC000262373976 545984471 /nfs/dbraw/zinc/98/44/71/545984471.db2.gz 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ZINC000333635228 546087676 /nfs/dbraw/zinc/08/76/76/546087676.db2.gz TUEVQDYOPZPEPV-QWHCGFSZSA-N 1 0 303.410 0.899 10 0 DCAERO C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)OCCO2 ZINC000333919365 546096031 /nfs/dbraw/zinc/09/60/31/546096031.db2.gz PAODWAXPQVOXQJ-DRZSPHRISA-N 1 0 321.377 0.493 10 0 DCAERO COc1c(C[N@H+]2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)c(C)nn1C ZINC000668576553 546789475 /nfs/dbraw/zinc/78/94/75/546789475.db2.gz MYEWYGVVEDIEOU-WCQYABFASA-N 1 0 306.370 0.470 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H](O)C1CC1 ZINC000674313765 547580933 /nfs/dbraw/zinc/58/09/33/547580933.db2.gz MSJRQFGXYNIPIN-SWLSCSKDSA-N 1 0 318.373 0.346 10 0 DCAERO CN1[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)[C@H]([NH3+])CS1(=O)=O ZINC000725256345 548749047 /nfs/dbraw/zinc/74/90/47/548749047.db2.gz GCDMRKCDVYSZBV-ZWNOBZJWSA-N 1 0 319.427 0.359 10 0 DCAERO C[C@H]1CN(Cc2cnc(NC(=O)CN(C)C)s2)CC[C@H]1[NH3+] ZINC000725273038 548750016 /nfs/dbraw/zinc/75/00/16/548750016.db2.gz XPLCDERITYDLIV-CMPLNLGQSA-N 1 0 311.455 0.812 10 0 DCAERO CC(C)[C@@H]1C[C@H]1C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249425643 660638287 /nfs/dbraw/zinc/63/82/87/660638287.db2.gz ILEKHGYEFJCVHF-YIYPIFLZSA-N 1 0 311.426 0.925 10 0 DCAERO COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400377 661115585 /nfs/dbraw/zinc/11/55/85/661115585.db2.gz GSZGPSSXNDCBCY-OUAUKWLOSA-N 1 0 301.305 0.710 10 0 DCAERO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@H]1C(C)C ZINC000888094556 661161788 /nfs/dbraw/zinc/16/17/88/661161788.db2.gz BHIHVMKQNKLBSL-CZPYZCIJSA-N 1 0 321.425 0.333 10 0 DCAERO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@@H]1C(C)C ZINC000888094557 661161798 /nfs/dbraw/zinc/16/17/98/661161798.db2.gz BHIHVMKQNKLBSL-MPTQWLOMSA-N 1 0 321.425 0.333 10 0 DCAERO CC1CCN(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000725027364 658031204 /nfs/dbraw/zinc/03/12/04/658031204.db2.gz LNYBMTMEFOHPBK-UHFFFAOYSA-N 1 0 305.444 0.403 10 0 DCAERO Cn1ncc2c1ncnc2N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120777406 658485638 /nfs/dbraw/zinc/48/56/38/658485638.db2.gz DFVVJABKPNUMDK-KGLIPLIRSA-N 1 0 316.409 0.789 10 0 DCAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](CCc2cccnc2)C1 ZINC000888077745 658721198 /nfs/dbraw/zinc/72/11/98/658721198.db2.gz SBIQBEYNZQNFJQ-MRXNPFEDSA-N 1 0 301.394 0.822 10 0 DCAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120984872 658887498 /nfs/dbraw/zinc/88/74/98/658887498.db2.gz GPCJEVFHGASAEM-OLZOCXBDSA-N 1 0 302.382 0.550 10 0 DCAERO COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000181376769 659043800 /nfs/dbraw/zinc/04/38/00/659043800.db2.gz XRUAOOTVPUZHKG-ZIAGYGMSSA-N 1 0 320.393 0.807 10 0 DCAERO C[N@H+](C[C@@H](O)Cn1cncc(Br)c1=O)C1CC1 ZINC000310385337 659330200 /nfs/dbraw/zinc/33/02/00/659330200.db2.gz CHBUFTCQLIZVOC-SECBINFHSA-N 1 0 302.172 0.461 10 0 DCAERO O=S(=O)(NCCCOC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000722233727 659396839 /nfs/dbraw/zinc/39/68/39/659396839.db2.gz UUQDVRNWOWKSLY-QWHCGFSZSA-N 1 0 306.428 0.244 10 0 DCAERO COc1ccc(OCCNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261868410 661765105 /nfs/dbraw/zinc/76/51/05/661765105.db2.gz SSIJZFMKLQQHHH-OAHLLOKOSA-N 1 0 308.378 0.944 10 0 DCAERO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2noc(CN)n2)C[C@@H](C)O1 ZINC000262146305 662112267 /nfs/dbraw/zinc/11/22/67/662112267.db2.gz FMVJWXXZAIKICI-JHJVBQTASA-N 1 0 309.414 0.602 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000429610395 662175521 /nfs/dbraw/zinc/17/55/21/662175521.db2.gz KRDALXLGAHXHHE-CYBMUJFWSA-N 1 0 315.439 0.264 10 0 DCAERO CN1CC[N@H+](CC2CC(NC(=O)OC(C)(C)C)C2)[C@@H](CO)C1 ZINC000895479652 662188294 /nfs/dbraw/zinc/18/82/94/662188294.db2.gz JQBNUESLPPEGLI-JXQTWKCFSA-N 1 0 313.442 0.898 10 0 DCAERO CN1CCN(C(=O)CC2CC[NH+](CC3OCCO3)CC2)CC1 ZINC000182654724 665863372 /nfs/dbraw/zinc/86/33/72/665863372.db2.gz ACYOJOZAZQQMPS-UHFFFAOYSA-N 1 0 311.426 0.235 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000342584604 662558154 /nfs/dbraw/zinc/55/81/54/662558154.db2.gz JRJGIOOFVOIDOC-ZDUSSCGKSA-N 1 0 309.391 0.884 10 0 DCAERO COCCS(=O)(=O)c1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000263263626 662668855 /nfs/dbraw/zinc/66/88/55/662668855.db2.gz MZQNIYQTIYRMHM-UHFFFAOYSA-N 1 0 311.407 0.546 10 0 DCAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1COC[C@@H]1O ZINC000323346842 663015675 /nfs/dbraw/zinc/01/56/75/663015675.db2.gz YPIHYFUWCKHLKS-XQQFMLRXSA-N 1 0 318.414 0.656 10 0 DCAERO CC1(C)[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@@H]2CCO[C@@H]21 ZINC000721882685 663454244 /nfs/dbraw/zinc/45/42/44/663454244.db2.gz NUKJNLLCLUXULG-XQQFMLRXSA-N 1 0 302.440 0.815 10 0 DCAERO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000908061249 663729953 /nfs/dbraw/zinc/72/99/53/663729953.db2.gz ZOUIPJPVNJPOBT-CQSZACIVSA-N 1 0 324.469 0.576 10 0 DCAERO CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]21 ZINC000908108661 663734169 /nfs/dbraw/zinc/73/41/69/663734169.db2.gz HNUALEYHVCJSKH-CRWXNKLISA-N 1 0 306.410 0.628 10 0 DCAERO O=C(N[C@H]1CCc2ncsc2C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000910846894 663944315 /nfs/dbraw/zinc/94/43/15/663944315.db2.gz PXIDOLFDERAIQX-DMDPSCGWSA-N 1 0 307.419 0.980 10 0 DCAERO NC(=O)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000911342888 664039688 /nfs/dbraw/zinc/03/96/88/664039688.db2.gz HPYKJXOJFSTXQT-DVOMOZLQSA-N 1 0 309.410 0.232 10 0 DCAERO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000163696533 664355604 /nfs/dbraw/zinc/35/56/04/664355604.db2.gz CICYTFRMJQXNMQ-XTZNXHDOSA-N 1 0 304.437 0.753 10 0 DCAERO Cc1[nH+]ccc(NCC[C@H]2CNCCS2(=O)=O)c1Cl ZINC000721722775 664468555 /nfs/dbraw/zinc/46/85/55/664468555.db2.gz BAZKXSSUSWDFHD-JTQLQIEISA-N 1 0 303.815 0.654 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(N)nc3)CC[C@@H]21 ZINC000166804873 664471187 /nfs/dbraw/zinc/47/11/87/664471187.db2.gz UYVIVBJXTINHQV-PWSUYJOCSA-N 1 0 311.411 0.164 10 0 DCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000167097235 664486335 /nfs/dbraw/zinc/48/63/35/664486335.db2.gz RSCZXLVMQZHQQK-SUNKGSAMSA-N 1 0 301.408 0.730 10 0 DCAERO Cc1cc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cnc1Cl ZINC000227804821 664538829 /nfs/dbraw/zinc/53/88/29/664538829.db2.gz CVVREUCGCXPMBS-SECBINFHSA-N 1 0 305.787 0.744 10 0 DCAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)CO ZINC000228726711 664574235 /nfs/dbraw/zinc/57/42/35/664574235.db2.gz RSCZXLVMQZHQQK-JTNHKYCSSA-N 1 0 301.408 0.730 10 0 DCAERO OCc1nn(CN2CC[N@@H+]3CCC[C@H]3C2)c(=S)n1C1CC1 ZINC000179480779 665359468 /nfs/dbraw/zinc/35/94/68/665359468.db2.gz UXVCOVYSEIQDGI-LBPRGKRZSA-N 1 0 309.439 0.979 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000085793383 666013258 /nfs/dbraw/zinc/01/32/58/666013258.db2.gz RPWNSDMIPXDMCD-GFCCVEGCSA-N 1 0 304.412 0.107 10 0 DCAERO CCC[C@H](C(=O)NC[C@H](O)C(=O)OCc1ccccc1)[NH+](C)C ZINC000184202375 666189661 /nfs/dbraw/zinc/18/96/61/666189661.db2.gz LTVUMQGRWZELSK-CABCVRRESA-N 1 0 322.405 0.937 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449697986 666504615 /nfs/dbraw/zinc/50/46/15/666504615.db2.gz MQBSUJUHADVKLT-MGPQQGTHSA-N 1 0 311.451 0.756 10 0 DCAERO CCN(CC)C(=O)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702372703 666946879 /nfs/dbraw/zinc/94/68/79/666946879.db2.gz NMWQSMFXMQAKKN-HNNXBMFYSA-N 1 0 320.437 0.430 10 0 DCAERO CN(C)c1nc([C@H]2CC[N@H+](CCn3cncn3)C2)cc(=O)[nH]1 ZINC000864328059 667240632 /nfs/dbraw/zinc/24/06/32/667240632.db2.gz BBFYLSSHTAEQQB-NSHDSACASA-N 1 0 303.370 0.329 10 0 DCAERO CN(Cc1ccc(Br)o1)C(=O)[C@@H](N)C[NH+](C)C ZINC000705229222 667284046 /nfs/dbraw/zinc/28/40/46/667284046.db2.gz JQLASHGUSMWUOU-VIFPVBQESA-N 1 0 304.188 0.889 10 0 DCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)nn1C ZINC000709259564 667445073 /nfs/dbraw/zinc/44/50/73/667445073.db2.gz LYIUSEXCROYJRB-IONNQARKSA-N 1 0 301.188 0.939 10 0 DCAERO CCOCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709803339 667445787 /nfs/dbraw/zinc/44/57/87/667445787.db2.gz OEFYQLIVBNZWOQ-RKDXNWHRSA-N 1 0 304.334 0.422 10 0 DCAERO [NH3+]C[C@]1(C(=O)NCC(=O)NCc2ccccc2)CCCOC1 ZINC000710394880 667446051 /nfs/dbraw/zinc/44/60/51/667446051.db2.gz BCHYIIFMIGSXKX-MRXNPFEDSA-N 1 0 305.378 0.175 10 0 DCAERO CN1CCN(C)[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710850933 667446671 /nfs/dbraw/zinc/44/66/71/667446671.db2.gz LDRWENDGYAJZNY-AWEZNQCLSA-N 1 0 312.458 0.689 10 0 DCAERO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000711770675 667538269 /nfs/dbraw/zinc/53/82/69/667538269.db2.gz OVRRKIJFADAAAO-MDZLAQPJSA-N 1 0 303.380 0.180 10 0 DCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCCn2c(=O)[nH]c3ccccc32)C1 ZINC000886038204 667726746 /nfs/dbraw/zinc/72/67/46/667726746.db2.gz IPWQRQNZEVDFLF-JQWIXIFHSA-N 1 0 304.350 0.235 10 0 DCAERO COc1cncc(C[N@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1 ZINC000886072161 667728653 /nfs/dbraw/zinc/72/86/53/667728653.db2.gz YQGZRHBNWNSKLH-DZGCQCFKSA-N 1 0 303.366 0.833 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2nnnn2C2CC2)C1 ZINC000886082607 667730226 /nfs/dbraw/zinc/73/02/26/667730226.db2.gz WOQLKJRGJTXNFN-MJBXVCDLSA-N 1 0 306.414 0.739 10 0 DCAERO CC(=O)CCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000123129995 667739510 /nfs/dbraw/zinc/73/95/10/667739510.db2.gz CFTVACLCXGXTCC-UHFFFAOYSA-N 1 0 320.418 0.853 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123241225 667750906 /nfs/dbraw/zinc/75/09/06/667750906.db2.gz YOUYRSQBZYOXBI-QWHCGFSZSA-N 1 0 319.471 0.791 10 0 DCAERO CC[S@](=O)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000741076657 667757992 /nfs/dbraw/zinc/75/79/92/667757992.db2.gz JJJXOYKSJUTMKQ-NRFANRHFSA-N 1 0 318.487 0.080 10 0 DCAERO CC1CCN(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000717046532 667828500 /nfs/dbraw/zinc/82/85/00/667828500.db2.gz JOBJVMNRCIJYLN-NSHDSACASA-N 1 0 311.398 0.798 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000717050148 667855041 /nfs/dbraw/zinc/85/50/41/667855041.db2.gz QTCCJPBDHVRZDZ-MNOVXSKESA-N 1 0 311.398 0.798 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000124514985 668078006 /nfs/dbraw/zinc/07/80/06/668078006.db2.gz NHXSUBIHDOIDCQ-BDAKNGLRSA-N 1 0 306.819 0.788 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCS(C)(=O)=O)[C@@H](C)C1 ZINC000131552915 669672470 /nfs/dbraw/zinc/67/24/70/669672470.db2.gz INGXEMLZCNXMIE-RYUDHWBXSA-N 1 0 305.444 0.401 10 0 DCAERO CCOc1ccc([C@@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040861095 669822711 /nfs/dbraw/zinc/82/27/11/669822711.db2.gz COINATFSYBVHIX-GFCCVEGCSA-N 1 0 313.423 0.886 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(F)(F)C1(O)CCC1 ZINC000158808092 669929154 /nfs/dbraw/zinc/92/91/54/669929154.db2.gz XYRKHUWHYRGFDA-NSHDSACASA-N 1 0 306.353 0.500 10 0 DCAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1nnnn1C1CC1 ZINC000188848911 670054598 /nfs/dbraw/zinc/05/45/98/670054598.db2.gz OILVQLVLIJNQLZ-DGCLKSJQSA-N 1 0 317.397 0.725 10 0 DCAERO Cn1cc(C[NH2+][C@@H]2CCNC(=O)CC2)c(Br)n1 ZINC000712406780 670148860 /nfs/dbraw/zinc/14/88/60/670148860.db2.gz ZLCWCXIYKGYRFS-VIFPVBQESA-N 1 0 301.188 0.941 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CN(Cc2cn(C)nc2Br)CCO1 ZINC000712421176 670149072 /nfs/dbraw/zinc/14/90/72/670149072.db2.gz PMAJKARHSXRWGW-PSASIEDQSA-N 1 0 303.204 0.731 10 0 DCAERO O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000713101316 670153287 /nfs/dbraw/zinc/15/32/87/670153287.db2.gz WKOKZJHZESWQCF-WUHRBBMRSA-N 1 0 300.424 0.615 10 0 DCAERO C[C@@]1(C(=O)NCc2ncc(Br)s2)C[NH2+]CCO1 ZINC000714942529 670196830 /nfs/dbraw/zinc/19/68/30/670196830.db2.gz FSFXBARWSZKBNS-JTQLQIEISA-N 1 0 320.212 0.900 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715085343 670203737 /nfs/dbraw/zinc/20/37/37/670203737.db2.gz IRKYTYBEZMJFTE-TUAOUCFPSA-N 1 0 303.428 0.044 10 0 DCAERO CCOC(=O)N1CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716137747 670231165 /nfs/dbraw/zinc/23/11/65/670231165.db2.gz LIHAYLMJRZMUIW-UHFFFAOYSA-N 1 0 304.412 0.773 10 0 DCAERO C[NH+](C)C[C@H](CO)Nc1ncc(I)cn1 ZINC000716736151 670271620 /nfs/dbraw/zinc/27/16/20/670271620.db2.gz PTDUKXRMGFWWHW-MRVPVSSYSA-N 1 0 322.150 0.416 10 0 DCAERO NC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000818324785 671004540 /nfs/dbraw/zinc/00/45/40/671004540.db2.gz OOEGPTRQMFFJRF-JSGCOSHPSA-N 1 0 319.340 0.497 10 0 DCAERO CC[C@@H]1CN(CN2C(=O)CC(C)(C)C2=O)CC[N@@H+]1CCOC ZINC000117324045 671193160 /nfs/dbraw/zinc/19/31/60/671193160.db2.gz LIWGIGIGCLKOEH-CYBMUJFWSA-N 1 0 311.426 0.772 10 0 DCAERO C[C@H](CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)CS(C)(=O)=O ZINC000717012702 672109718 /nfs/dbraw/zinc/10/97/18/672109718.db2.gz ODFJGSLEJDUFKF-KXUCPTDWSA-N 1 0 302.362 0.879 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720866945 685316144 /nfs/dbraw/zinc/31/61/44/685316144.db2.gz UNTAVSCISSKYCC-KWCYVHTRSA-N 1 0 302.440 0.958 10 0 DCAERO CC(C)OCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720881922 685316267 /nfs/dbraw/zinc/31/62/67/685316267.db2.gz VWOBNNREDFNBEL-RKDXNWHRSA-N 1 0 304.334 0.563 10 0 DCAERO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246764188 685166082 /nfs/dbraw/zinc/16/60/82/685166082.db2.gz YHNVLMLASMGCRL-QWRGUYRKSA-N 1 0 322.434 0.954 10 0 DCAERO NS(=O)(=O)c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)o1 ZINC000088538875 1157503961 /nfs/dbraw/zinc/50/39/61/1157503961.db2.gz RIYRIHWHRLXDJY-GFCCVEGCSA-N 1 0 318.395 0.602 10 0 DCAERO COc1ccccc1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC000062187148 1172425954 /nfs/dbraw/zinc/42/59/54/1172425954.db2.gz NWJLUNOQUZMROL-UHFFFAOYSA-N 1 0 319.405 0.931 10 0 DCAERO C[NH+](C)C1(CNC(=O)Cn2nnc3ccccc32)CCOCC1 ZINC000073131416 1173912011 /nfs/dbraw/zinc/91/20/11/1173912011.db2.gz ZKWWTKFQFAJXFA-UHFFFAOYSA-N 1 0 317.393 0.658 10 0 DCAERO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000156334473 1180557090 /nfs/dbraw/zinc/55/70/90/1180557090.db2.gz KVBCJEBVNAYVCO-AWEZNQCLSA-N 1 0 321.425 0.179 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)Cn1nnc2ccccc21 ZINC000172669998 1183868238 /nfs/dbraw/zinc/86/82/38/1183868238.db2.gz 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0.614 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H]1[NH+](C)C ZINC000573234334 291618522 /nfs/dbraw/zinc/61/85/22/291618522.db2.gz KQMNFOHOQNIRDG-XVIXHAIJSA-N 1 0 323.437 0.325 10 0 DCAERO [NH3+]C[C@H](c1ccccc1Br)N(CCO)CCO ZINC000043092449 183335919 /nfs/dbraw/zinc/33/59/19/183335919.db2.gz OCMDEGRTJHUYRG-GFCCVEGCSA-N 1 0 303.200 0.736 10 0 DCAERO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000104786741 194039706 /nfs/dbraw/zinc/03/97/06/194039706.db2.gz QCPWGGRIDIUKML-OAHLLOKOSA-N 1 0 312.458 0.737 10 0 DCAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(CC)nn2C1 ZINC000105873263 194153572 /nfs/dbraw/zinc/15/35/72/194153572.db2.gz KDXRSPFXNMMIOE-STQMWFEESA-N 1 0 323.441 0.676 10 0 DCAERO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000349760234 254296768 /nfs/dbraw/zinc/29/67/68/254296768.db2.gz SUSKJZPKSMYTBZ-STQMWFEESA-N 1 0 323.437 0.613 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000177700428 285239291 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301.431 0.803 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000247017999 395964883 /nfs/dbraw/zinc/96/48/83/395964883.db2.gz CNOKRSKYWWTUCO-UONOGXRCSA-N 1 0 309.414 0.846 10 0 DCAERO Cc1nc(CN2CCC[N@@H+](C[C@@H](O)COC(C)C)CC2)no1 ZINC000247097553 395967079 /nfs/dbraw/zinc/96/70/79/395967079.db2.gz HYTJXKZMFCOELQ-CQSZACIVSA-N 1 0 312.414 0.672 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC000247223850 395969855 /nfs/dbraw/zinc/96/98/55/395969855.db2.gz QSCSMQFDKRXWCG-KGLIPLIRSA-N 1 0 323.412 0.829 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247237162 395969931 /nfs/dbraw/zinc/96/99/31/395969931.db2.gz XNNUUAFNFCUZNA-HUUCEWRRSA-N 1 0 310.442 0.444 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247246569 395970467 /nfs/dbraw/zinc/97/04/67/395970467.db2.gz XJMAAYPGTLYWBZ-VXGBXAGGSA-N 1 0 320.459 0.050 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247329116 395971349 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ZINC000070303094 396101062 /nfs/dbraw/zinc/10/10/62/396101062.db2.gz ZVNFZYBAKJVVMM-UHFFFAOYSA-N 1 0 300.380 0.290 10 0 DCAERO COc1ccccc1[C@H]1C[NH2+]CCN1CCN1C(=O)CCC1=O ZINC000262124520 396101474 /nfs/dbraw/zinc/10/14/74/396101474.db2.gz CHRTXABCMNDGGF-CQSZACIVSA-N 1 0 317.389 0.791 10 0 DCAERO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(-n2cncn2)cc1 ZINC000262178093 396107181 /nfs/dbraw/zinc/10/71/81/396107181.db2.gz KSYQDMCVXADJIG-JSGCOSHPSA-N 1 0 315.377 0.823 10 0 DCAERO COC(=O)[C@H](Cc1ccccc1)NC(=O)C1([NH3+])CCOCC1 ZINC000262308167 396121178 /nfs/dbraw/zinc/12/11/78/396121178.db2.gz PKOHUFLNOQSLRV-ZDUSSCGKSA-N 1 0 306.362 0.395 10 0 DCAERO COCC[NH2+]CCNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000262318249 396123036 /nfs/dbraw/zinc/12/30/36/396123036.db2.gz PZAFEFQCEWTIRR-UHFFFAOYSA-N 1 0 316.423 0.826 10 0 DCAERO O=C(Nc1ccc2c(c1)C(=O)NC2=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807676 396125311 /nfs/dbraw/zinc/12/53/11/396125311.db2.gz LXPBECAJHOGHKI-LLVKDONJSA-N 1 0 314.345 0.882 10 0 DCAERO CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173527793 396135401 /nfs/dbraw/zinc/13/54/01/396135401.db2.gz WAZMLKFGNYBCJG-UKRRQHHQSA-N 1 0 310.442 0.092 10 0 DCAERO C[N@H+](CCNC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCCC1 ZINC000173827144 396136199 /nfs/dbraw/zinc/13/61/99/396136199.db2.gz AKICXNXBPYVHDJ-MRXNPFEDSA-N 1 0 324.469 0.977 10 0 DCAERO COCC1(C(=O)NCc2cccnc2N(C)C)CC[NH2+]CC1 ZINC000262435265 396139542 /nfs/dbraw/zinc/13/95/42/396139542.db2.gz XEVLXBFBQJYUOD-UHFFFAOYSA-N 1 0 306.410 0.780 10 0 DCAERO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262433118 396139850 /nfs/dbraw/zinc/13/98/50/396139850.db2.gz RXQSWQNJUOTHJL-MJBXVCDLSA-N 1 0 311.426 0.470 10 0 DCAERO C[NH2+][C@@H](C)Cc1noc(CCOc2ccc(C(N)=O)cc2)n1 ZINC000261876988 396075300 /nfs/dbraw/zinc/07/53/00/396075300.db2.gz VVQFYVJPOSDRCG-JTQLQIEISA-N 1 0 304.350 0.940 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886508 396075576 /nfs/dbraw/zinc/07/55/76/396075576.db2.gz ZEPCFYNVZAPGFJ-ZNMIVQPWSA-N 1 0 319.430 0.861 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886506 396075615 /nfs/dbraw/zinc/07/56/15/396075615.db2.gz ZEPCFYNVZAPGFJ-RRFJBIMHSA-N 1 0 319.430 0.861 10 0 DCAERO CCn1nnnc1-c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261925677 396080304 /nfs/dbraw/zinc/08/03/04/396080304.db2.gz VRRYNIPRTRMBDD-UHFFFAOYSA-N 1 0 316.365 0.806 10 0 DCAERO COc1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263203122 396206117 /nfs/dbraw/zinc/20/61/17/396206117.db2.gz JHRMQAAWWVKJSB-ZYHUDNBSSA-N 1 0 302.321 0.967 10 0 DCAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000263237762 396208254 /nfs/dbraw/zinc/20/82/54/396208254.db2.gz BUEXRUIHLSQYRD-CQSZACIVSA-N 1 0 319.405 0.940 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262480553 396145423 /nfs/dbraw/zinc/14/54/23/396145423.db2.gz ZOAKFGNGFOLHNF-VXGBXAGGSA-N 1 0 324.812 0.808 10 0 DCAERO Cc1c(C(=O)NCCC[NH3+])nnn1-c1ccc2c(c1)OCCO2 ZINC000262484088 396145431 /nfs/dbraw/zinc/14/54/31/396145431.db2.gz VVAWEYBQCSIZEZ-UHFFFAOYSA-N 1 0 317.349 0.426 10 0 DCAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262541619 396152933 /nfs/dbraw/zinc/15/29/33/396152933.db2.gz NJLBLLVCVISOCL-MGPQQGTHSA-N 1 0 312.410 0.993 10 0 DCAERO Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)s1 ZINC000263262194 396209978 /nfs/dbraw/zinc/20/99/78/396209978.db2.gz GOWVHUBUIWXKFE-CYBMUJFWSA-N 1 0 309.435 0.765 10 0 DCAERO Cn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ccc1=O ZINC000262569295 396156895 /nfs/dbraw/zinc/15/68/95/396156895.db2.gz XGDXDYDJQASUCR-NORZTCDRSA-N 1 0 305.378 0.856 10 0 DCAERO CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262644056 396166790 /nfs/dbraw/zinc/16/67/90/396166790.db2.gz QRSLXOIEPLTPAV-HZSPNIEDSA-N 1 0 302.415 0.375 10 0 DCAERO CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[NH2+]C)c1 ZINC000262662952 396170157 /nfs/dbraw/zinc/17/01/57/396170157.db2.gz NJHFFTVMMOGPFU-UHFFFAOYSA-N 1 0 315.395 0.581 10 0 DCAERO CS[C@H](CO)[C@@H](C)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262716025 396175288 /nfs/dbraw/zinc/17/52/88/396175288.db2.gz GTJCGZVXCFEEOA-NQBHXWOUSA-N 1 0 312.439 0.650 10 0 DCAERO CN1C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H]3C[NH3+])cc2C1=O ZINC000262726911 396176817 /nfs/dbraw/zinc/17/68/17/396176817.db2.gz BKLIORYPRFTRHG-SECBINFHSA-N 1 0 323.374 0.024 10 0 DCAERO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263273344 396211340 /nfs/dbraw/zinc/21/13/40/396211340.db2.gz SNMVRNSGERFMAP-YPMHNXCESA-N 1 0 317.380 0.601 10 0 DCAERO C[C@H](CNC(=O)NC[C@@]1(CCO)CCOC1)C[NH+]1CCCC1 ZINC000177599048 396179786 /nfs/dbraw/zinc/17/97/86/396179786.db2.gz JLZMCEXQAIJGMY-GDBMZVCRSA-N 1 0 313.442 0.807 10 0 DCAERO O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177687835 396181013 /nfs/dbraw/zinc/18/10/13/396181013.db2.gz WIWVPAVKTMRYCW-CQSZACIVSA-N 1 0 315.373 0.867 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000262833873 396186212 /nfs/dbraw/zinc/18/62/12/396186212.db2.gz QRNSJVHJVWCJKZ-RYUDHWBXSA-N 1 0 322.409 0.355 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)NCCc1csc(N2CCCC2)n1 ZINC000262869086 396188358 /nfs/dbraw/zinc/18/83/58/396188358.db2.gz MDKAQEXZGMACKU-GFCCVEGCSA-N 1 0 312.439 0.766 10 0 DCAERO CCCc1cc(N2CC[NH+]([C@H](CC)CO)CC2)n2ncnc2n1 ZINC000078523922 396246517 /nfs/dbraw/zinc/24/65/17/396246517.db2.gz LRICHRZEEGMOLN-CQSZACIVSA-N 1 0 318.425 0.970 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)NCCCn1ccnn1 ZINC000182276426 396248979 /nfs/dbraw/zinc/24/89/79/396248979.db2.gz CMJIOMGJUFTBDA-UHFFFAOYSA-N 1 0 310.402 0.080 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079519798 396266893 /nfs/dbraw/zinc/26/68/93/396266893.db2.gz PVZJUNKEIJAIRG-CYBMUJFWSA-N 1 0 303.428 0.059 10 0 DCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282223204 396273577 /nfs/dbraw/zinc/27/35/77/396273577.db2.gz YXEUJCSXDFGHPB-VXGBXAGGSA-N 1 0 319.409 0.982 10 0 DCAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC(=O)NCC2CC2)C1 ZINC000183795884 396275398 /nfs/dbraw/zinc/27/53/98/396275398.db2.gz MJDMZJPPMSWCPV-ZIAGYGMSSA-N 1 0 308.426 0.638 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935436 396311582 /nfs/dbraw/zinc/31/15/82/396311582.db2.gz NDCZPXPKVBVHIA-CABCVRRESA-N 1 0 312.458 0.569 10 0 DCAERO C[C@H](C[N@@H+]1CCOCC2(CCOCC2)C1)CS(C)(=O)=O ZINC000184114830 396285890 /nfs/dbraw/zinc/28/58/90/396285890.db2.gz XKZWXBARLUIUTA-CYBMUJFWSA-N 1 0 305.440 0.796 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184227697 396288708 /nfs/dbraw/zinc/28/87/08/396288708.db2.gz AAMUMYMAYDEUKV-GFCCVEGCSA-N 1 0 309.414 0.775 10 0 DCAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)CC1 ZINC000184257578 396289458 /nfs/dbraw/zinc/28/94/58/396289458.db2.gz DEXRCIDHIZYFRL-ZDUSSCGKSA-N 1 0 316.405 0.903 10 0 DCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCc2sccc2C1 ZINC000184729153 396303849 /nfs/dbraw/zinc/30/38/49/396303849.db2.gz WNDIAJKKHQJEHC-CHWSQXEVSA-N 1 0 310.419 0.450 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184862144 396308485 /nfs/dbraw/zinc/30/84/85/396308485.db2.gz DSMIJCJRPOIBAC-CHWSQXEVSA-N 1 0 319.409 0.623 10 0 DCAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000185389767 396326727 /nfs/dbraw/zinc/32/67/27/396326727.db2.gz SMFPANTXDKNKON-LSDHHAIUSA-N 1 0 314.474 0.671 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC1)CC2 ZINC000185398331 396326983 /nfs/dbraw/zinc/32/69/83/396326983.db2.gz TVPUYBLGVUAOFO-GFCCVEGCSA-N 1 0 320.441 0.891 10 0 DCAERO CN1CCO[C@@H](C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000185925350 396337183 /nfs/dbraw/zinc/33/71/83/396337183.db2.gz JBYSCQQDKXZXCZ-KBPBESRZSA-N 1 0 311.813 0.657 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)CN(C)S(C)(=O)=O ZINC000186328968 396347944 /nfs/dbraw/zinc/34/79/44/396347944.db2.gz DLAPURJWYAZHIK-GFCCVEGCSA-N 1 0 305.444 0.259 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000186219228 396345690 /nfs/dbraw/zinc/34/56/90/396345690.db2.gz TZVKVXKJHIOBEV-GFCCVEGCSA-N 1 0 308.430 0.748 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCO1 ZINC000187811835 396374847 /nfs/dbraw/zinc/37/48/47/396374847.db2.gz QDTOUVIYRVBCDX-STQMWFEESA-N 1 0 318.373 0.754 10 0 DCAERO C[C@H]1CN(C(=O)NCc2ccnn2C)CC[N@@H+]1CC(C)(C)O ZINC000187482582 396370379 /nfs/dbraw/zinc/37/03/79/396370379.db2.gz KMDYNLLPWPEZOT-LBPRGKRZSA-N 1 0 309.414 0.407 10 0 DCAERO COCC(=O)NC1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000187720330 396373000 /nfs/dbraw/zinc/37/30/00/396373000.db2.gz YVWXCQYNHRYLLA-UHFFFAOYSA-N 1 0 320.393 0.727 10 0 DCAERO COCCN1CC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000285389549 396350074 /nfs/dbraw/zinc/35/00/74/396350074.db2.gz DDGSTWILBQFMQZ-LBPRGKRZSA-N 1 0 317.231 0.956 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000188364438 396381854 /nfs/dbraw/zinc/38/18/54/396381854.db2.gz PGFNIBDPIXJSHB-GFCCVEGCSA-N 1 0 312.414 0.017 10 0 DCAERO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188364060 396381900 /nfs/dbraw/zinc/38/19/00/396381900.db2.gz UONQRMCDQYIQSE-CMPLNLGQSA-N 1 0 320.324 0.377 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188673058 396384344 /nfs/dbraw/zinc/38/43/44/396384344.db2.gz NJYNGAIEVONQPU-CQSZACIVSA-N 1 0 305.403 0.827 10 0 DCAERO COc1ccc(OC)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188756126 396385522 /nfs/dbraw/zinc/38/55/22/396385522.db2.gz CSTORKIDGXBZMM-LBPRGKRZSA-N 1 0 308.378 0.842 10 0 DCAERO O=C(Nc1cccc(-n2ccnn2)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188959146 396389215 /nfs/dbraw/zinc/38/92/15/396389215.db2.gz TWKYXUSORVKKSY-UHFFFAOYSA-N 1 0 309.333 0.888 10 0 DCAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC(CO)C2)[C@H](C)C1 ZINC000189017987 396389700 /nfs/dbraw/zinc/38/97/00/396389700.db2.gz ZCQLFXMFISWZAE-HIFRSBDPSA-N 1 0 313.442 0.757 10 0 DCAERO O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000189015218 396389892 /nfs/dbraw/zinc/38/98/92/396389892.db2.gz 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/nfs/dbraw/zinc/40/97/05/396409705.db2.gz CRGVYVPCSZEQNP-CYBMUJFWSA-N 1 0 304.398 0.804 10 0 DCAERO CCc1cnc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000190862634 396412409 /nfs/dbraw/zinc/41/24/09/396412409.db2.gz UZMXSZXQJCCWLX-UHFFFAOYSA-N 1 0 308.407 0.951 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188004440 396377850 /nfs/dbraw/zinc/37/78/50/396377850.db2.gz ZFDRHKSCBLVMAM-ZDUSSCGKSA-N 1 0 308.382 0.860 10 0 DCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000193255375 396447365 /nfs/dbraw/zinc/44/73/65/396447365.db2.gz LEWVCLFQMJCYOS-TZMCWYRMSA-N 1 0 307.369 0.810 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000193314492 396448623 /nfs/dbraw/zinc/44/86/23/396448623.db2.gz UAGZGSNGRGEIBB-ZDUSSCGKSA-N 1 0 311.407 0.404 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000193409196 396450754 /nfs/dbraw/zinc/45/07/54/396450754.db2.gz LELOLZDVSQSZRR-UWVGGRQHSA-N 1 0 316.379 0.733 10 0 DCAERO Cc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000289437717 396460153 /nfs/dbraw/zinc/46/01/53/396460153.db2.gz LOAGBSSIMCZKFU-UHFFFAOYSA-N 1 0 304.350 0.612 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000372472052 396520241 /nfs/dbraw/zinc/52/02/41/396520241.db2.gz LCPRMGCGSJOMAQ-MQYQWHSLSA-N 1 0 308.426 0.589 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000528752162 396564416 /nfs/dbraw/zinc/56/44/16/396564416.db2.gz DUKKKSKZXJXAPY-CXOVXGEYSA-N 1 0 311.426 0.467 10 0 DCAERO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc2nccn2c1 ZINC000560985559 396627161 /nfs/dbraw/zinc/62/71/61/396627161.db2.gz BOERKEOKOWGUFP-UHFFFAOYSA-N 1 0 315.377 0.875 10 0 DCAERO CCCC[C@@H](NC(N)=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588857929 396694976 /nfs/dbraw/zinc/69/49/76/396694976.db2.gz YRNQEFIEWURXGR-GFCCVEGCSA-N 1 0 310.402 0.610 10 0 DCAERO CC[C@H](C)[C@H](NC(=O)CN1CCOCC[C@@H]1C)C(=O)OC ZINC000374990184 396703084 /nfs/dbraw/zinc/70/30/84/396703084.db2.gz RZWPMWBXQUNNPG-OBJOEFQTSA-N 1 0 300.399 0.801 10 0 DCAERO COc1nc(N2CCN(C)C[C@H]2C[NH3+])ncc1Br ZINC000300259581 396715113 /nfs/dbraw/zinc/71/51/13/396715113.db2.gz KASYONAVOMNNJV-MRVPVSSYSA-N 1 0 316.203 0.327 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)[C@](C)(C[NH3+])C1 ZINC000630359350 396993943 /nfs/dbraw/zinc/99/39/43/396993943.db2.gz CMNKHEIGQUAGKR-OLZOCXBDSA-N 1 0 305.444 0.401 10 0 DCAERO C[NH+]1CCN(C[C@H]2CN(C(=O)N[C@H]3CC3(C)C)CCO2)CC1 ZINC000601270910 397037556 /nfs/dbraw/zinc/03/75/56/397037556.db2.gz BQCNYFBCASOZFM-KBPBESRZSA-N 1 0 310.442 0.443 10 0 DCAERO O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000376762979 396974321 /nfs/dbraw/zinc/97/43/21/396974321.db2.gz AUMNDVLKSUMHRC-NEPJUHHUSA-N 1 0 302.783 0.701 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000626012918 397052793 /nfs/dbraw/zinc/05/27/93/397052793.db2.gz MLYGSIXPLFTDSH-JLJPHGGASA-N 1 0 323.437 0.160 10 0 DCAERO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000382553187 397274975 /nfs/dbraw/zinc/27/49/75/397274975.db2.gz GYLWZCNPUBCGCX-GWCFXTLKSA-N 1 0 302.396 0.382 10 0 DCAERO O=C1NC(=O)C2(CCC([NH2+]C[C@@H](CO)c3ccccc3)CC2)N1 ZINC000574745169 397296113 /nfs/dbraw/zinc/29/61/13/397296113.db2.gz ZASBJEGZAKNQIT-CBCUQQMYSA-N 1 0 317.389 0.873 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408449532 397357297 /nfs/dbraw/zinc/35/72/97/397357297.db2.gz CYIQTASLABWWMV-MBNYWOFBSA-N 1 0 309.410 0.352 10 0 DCAERO C[C@H](OCc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000404395421 397329384 /nfs/dbraw/zinc/32/93/84/397329384.db2.gz WEDSUKFGYSVROA-ZDUSSCGKSA-N 1 0 305.378 0.140 10 0 DCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000370324664 397470165 /nfs/dbraw/zinc/47/01/65/397470165.db2.gz JEDRBUTYZMIYQY-HUUCEWRRSA-N 1 0 322.453 0.284 10 0 DCAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000370532980 397498231 /nfs/dbraw/zinc/49/82/31/397498231.db2.gz HMBGUYBMWHMTFO-RSUWNVLCSA-N 1 0 311.426 0.192 10 0 DCAERO CC[NH+]1CCC(CCNS(=O)(=O)CCCC(=O)OC)CC1 ZINC000610265973 397811031 /nfs/dbraw/zinc/81/10/31/397811031.db2.gz FUNAIKSJEYKHHD-UHFFFAOYSA-N 1 0 320.455 0.981 10 0 DCAERO CSC[C@](C)(O)CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478152 397825008 /nfs/dbraw/zinc/82/50/08/397825008.db2.gz NPAALNLNRMOUOM-CYBMUJFWSA-N 1 0 315.443 0.680 10 0 DCAERO CS(=O)(=O)CC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246987534 286590630 /nfs/dbraw/zinc/59/06/30/286590630.db2.gz YHOCEMLVCSZOQG-UPJWGTAASA-N 1 0 314.451 0.848 10 0 DCAERO CC(C)[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000076064194 158063835 /nfs/dbraw/zinc/06/38/35/158063835.db2.gz WSIJKAOFDNRYJM-STQMWFEESA-N 1 0 313.467 0.784 10 0 DCAERO Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)n(C)n1 ZINC000077726275 158068671 /nfs/dbraw/zinc/06/86/71/158068671.db2.gz WFHYZCKYVFYTOR-GFCCVEGCSA-N 1 0 309.414 0.760 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(CCOC)C(=O)C1 ZINC000091701787 158109389 /nfs/dbraw/zinc/10/93/89/158109389.db2.gz HJWTUNSZLIODQZ-ZDUSSCGKSA-N 1 0 314.430 0.217 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N(C)CCC(=O)OC ZINC000092626016 158115022 /nfs/dbraw/zinc/11/50/22/158115022.db2.gz FBLDMIJVQQGZHX-LBPRGKRZSA-N 1 0 321.443 0.142 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000093990178 158123128 /nfs/dbraw/zinc/12/31/28/158123128.db2.gz ZTRPJEGWNQCDSO-VXGBXAGGSA-N 1 0 322.409 0.450 10 0 DCAERO NC(=O)NC(=O)CC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352301 158141886 /nfs/dbraw/zinc/14/18/86/158141886.db2.gz QNIUIXXMLXSEFH-UHFFFAOYSA-N 1 0 324.406 0.481 10 0 DCAERO CC1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000112723047 158143926 /nfs/dbraw/zinc/14/39/26/158143926.db2.gz CCVLRBHPZMUDMH-CQSZACIVSA-N 1 0 311.426 0.777 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112743454 158144237 /nfs/dbraw/zinc/14/42/37/158144237.db2.gz XRFWKCJCXCAFBX-CYBMUJFWSA-N 1 0 322.413 0.005 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1C(=O)CCC1=O ZINC000114029972 158150179 /nfs/dbraw/zinc/15/01/79/158150179.db2.gz IUWJLGGBLLKBRV-VXGBXAGGSA-N 1 0 308.382 0.014 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)CC2 ZINC000114959064 158160600 /nfs/dbraw/zinc/16/06/00/158160600.db2.gz YUZGOUWYRLGYFB-NEPJUHHUSA-N 1 0 320.441 0.937 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1 ZINC000116793418 158166673 /nfs/dbraw/zinc/16/66/73/158166673.db2.gz KJWVUKHZWUQWIE-ZIAGYGMSSA-N 1 0 300.399 0.361 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116835512 158167723 /nfs/dbraw/zinc/16/77/23/158167723.db2.gz ZQNQHQVYULBNNC-RYUDHWBXSA-N 1 0 303.428 0.011 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000116928822 158168669 /nfs/dbraw/zinc/16/86/69/158168669.db2.gz ZKZHPOVCSSPKRU-LLVKDONJSA-N 1 0 316.361 0.326 10 0 DCAERO CNC(=O)c1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000118796488 158179366 /nfs/dbraw/zinc/17/93/66/158179366.db2.gz ANOZGDPCSMUGQG-CQSZACIVSA-N 1 0 320.393 0.841 10 0 DCAERO Cn1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000121419297 158210311 /nfs/dbraw/zinc/21/03/11/158210311.db2.gz QJIPYSUVZJZRPD-UHFFFAOYSA-N 1 0 319.409 0.693 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000121914247 158216665 /nfs/dbraw/zinc/21/66/65/158216665.db2.gz JVFTVCKVKOZVEK-RYUDHWBXSA-N 1 0 323.397 0.371 10 0 DCAERO Cn1ccnc1CC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000122021255 158217790 /nfs/dbraw/zinc/21/77/90/158217790.db2.gz BYFWKOBAGXHNQM-CQSZACIVSA-N 1 0 306.410 0.532 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000124104666 158238324 /nfs/dbraw/zinc/23/83/24/158238324.db2.gz IUGRFSOJVUKDID-LBPRGKRZSA-N 1 0 319.409 0.875 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)CCO1 ZINC000124263969 158239741 /nfs/dbraw/zinc/23/97/41/158239741.db2.gz KVFGMLOVCPEBEY-CHWSQXEVSA-N 1 0 309.410 0.176 10 0 DCAERO C[C@@H]([NH2+]CCC1OCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000125345765 158253619 /nfs/dbraw/zinc/25/36/19/158253619.db2.gz DWJGOUYWRWFQOW-SNVBAGLBSA-N 1 0 300.380 0.748 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000126062756 158261970 /nfs/dbraw/zinc/26/19/70/158261970.db2.gz WTINMHSJGCQKGT-LBPRGKRZSA-N 1 0 322.409 0.404 10 0 DCAERO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000131215712 158300322 /nfs/dbraw/zinc/30/03/22/158300322.db2.gz CLJMNMHZZVFGDO-QLFBSQMISA-N 1 0 309.410 0.836 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000132093053 158308273 /nfs/dbraw/zinc/30/82/73/158308273.db2.gz UPDDOFZCPFRHMF-UHFFFAOYSA-N 1 0 321.425 0.933 10 0 DCAERO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1cccc2ncccc21 ZINC000163322448 158362250 /nfs/dbraw/zinc/36/22/50/158362250.db2.gz CKNNOFDJMOHJHF-NSHDSACASA-N 1 0 307.375 0.502 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1 ZINC000165636136 158364779 /nfs/dbraw/zinc/36/47/79/158364779.db2.gz SRTQKQKQIHORTJ-ZETCQYMHSA-N 1 0 310.297 0.452 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000165973709 158365801 /nfs/dbraw/zinc/36/58/01/158365801.db2.gz KUMGCTOBWFHHSW-UMVBOHGHSA-N 1 0 313.467 0.438 10 0 DCAERO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2COCCN2)cc1 ZINC000167518769 158369446 /nfs/dbraw/zinc/36/94/46/158369446.db2.gz UHHZOILIDDSZOK-INIZCTEOSA-N 1 0 321.421 0.622 10 0 DCAERO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000169021782 158372636 /nfs/dbraw/zinc/37/26/36/158372636.db2.gz FVUAVNOHLWMZLP-OAHLLOKOSA-N 1 0 323.368 0.471 10 0 DCAERO COC(=O)[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000170758850 158375967 /nfs/dbraw/zinc/37/59/67/158375967.db2.gz DYZMAINSBNQTSV-GJZGRUSLSA-N 1 0 323.437 0.470 10 0 DCAERO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000171088541 158379206 /nfs/dbraw/zinc/37/92/06/158379206.db2.gz DEOLVLQNERYTKV-NEPJUHHUSA-N 1 0 322.409 0.450 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCOCC1 ZINC000171038229 158379610 /nfs/dbraw/zinc/37/96/10/158379610.db2.gz KXHUTTZPWCVPRP-HUUCEWRRSA-N 1 0 310.442 0.587 10 0 DCAERO CCOC(=O)C1CCN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171643369 158385729 /nfs/dbraw/zinc/38/57/29/158385729.db2.gz GDPPLSLEAYGLGS-OAHLLOKOSA-N 1 0 323.437 0.568 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)CCO1 ZINC000172131183 158391226 /nfs/dbraw/zinc/39/12/26/158391226.db2.gz DISODWUYUHOCDW-LBPRGKRZSA-N 1 0 314.430 0.121 10 0 DCAERO CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177679294 158449087 /nfs/dbraw/zinc/44/90/87/158449087.db2.gz RNGLUBWPDGZSMO-LBPRGKRZSA-N 1 0 323.397 0.192 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000261635601 158724271 /nfs/dbraw/zinc/72/42/71/158724271.db2.gz FGRPIIUWFHHUBP-SSDOTTSWSA-N 1 0 304.368 0.651 10 0 DCAERO Cc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)n1 ZINC000261699944 158730739 /nfs/dbraw/zinc/73/07/39/158730739.db2.gz IFHSTGSQCDUCBF-VXGBXAGGSA-N 1 0 309.439 0.870 10 0 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/nfs/dbraw/zinc/96/04/85/416960485.db2.gz JGXGZBRQHALUNE-KGLIPLIRSA-N 1 0 319.409 0.588 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCCOCC4)C3)nn12 ZINC000624116375 416961147 /nfs/dbraw/zinc/96/11/47/416961147.db2.gz NUJJLFPEUGOEJW-OLZOCXBDSA-N 1 0 302.382 0.862 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000519538564 416910140 /nfs/dbraw/zinc/91/01/40/416910140.db2.gz KCROPQSHTONFNM-MNOVXSKESA-N 1 0 320.393 0.850 10 0 DCAERO C[NH+](C)C1(CNC(=O)N2CCSC[C@H]2CCO)CCC1 ZINC000446615854 416936744 /nfs/dbraw/zinc/93/67/44/416936744.db2.gz RQLURTRYTKOANK-GFCCVEGCSA-N 1 0 301.456 0.980 10 0 DCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2([NH3+])CCOCC2)C1 ZINC000624386160 417024475 /nfs/dbraw/zinc/02/44/75/417024475.db2.gz ASGYEZCPQYEVLA-TXEJJXNPSA-N 1 0 305.444 0.307 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000624395119 417027670 /nfs/dbraw/zinc/02/76/70/417027670.db2.gz GUDIZDHZCYVTFK-UHFFFAOYSA-N 1 0 322.814 0.863 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000624237132 416988288 /nfs/dbraw/zinc/98/82/88/416988288.db2.gz QHBRMBMEESFROO-BIMULSAOSA-N 1 0 300.380 0.134 10 0 DCAERO CC(=O)N1Cc2ccc(S(=O)(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2C1 ZINC000624414337 417034293 /nfs/dbraw/zinc/03/42/93/417034293.db2.gz IZFWABKHMNJGFB-ZUZCIYMTSA-N 1 0 323.418 0.577 10 0 DCAERO CN(CCC[NH3+])C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000390766384 417101272 /nfs/dbraw/zinc/10/12/72/417101272.db2.gz RCPOBMJYOINITN-UHFFFAOYSA-N 1 0 304.438 0.611 10 0 DCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000616601832 417083727 /nfs/dbraw/zinc/08/37/27/417083727.db2.gz VGKYZKJSFVJUHX-NSHDSACASA-N 1 0 321.443 0.654 10 0 DCAERO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000381447151 417085166 /nfs/dbraw/zinc/08/51/66/417085166.db2.gz GFVFTHFGVFOAAQ-RKDXNWHRSA-N 1 0 306.409 0.104 10 0 DCAERO OCCOCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404205093 417117286 /nfs/dbraw/zinc/11/72/86/417117286.db2.gz MNKHSRABKYOAKZ-QZTJIDSGSA-N 1 0 320.433 0.971 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000408390182 417157923 /nfs/dbraw/zinc/15/79/23/417157923.db2.gz RSDWJVOPSFXSLX-QWRGUYRKSA-N 1 0 305.382 0.592 10 0 DCAERO Cc1cnc([C@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cn1 ZINC000408377608 417160070 /nfs/dbraw/zinc/16/00/70/417160070.db2.gz XXJVLPOYMBECBB-NSHDSACASA-N 1 0 303.366 0.862 10 0 DCAERO CC(=O)[C@](C)(O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000451035336 417293265 /nfs/dbraw/zinc/29/32/65/417293265.db2.gz GMSHXDRORICJJL-LLVKDONJSA-N 1 0 304.188 0.917 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000637929141 417239633 /nfs/dbraw/zinc/23/96/33/417239633.db2.gz UHZLKURFXZOLSA-XHSDSOJGSA-N 1 0 305.422 0.865 10 0 DCAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000569423899 417249654 /nfs/dbraw/zinc/24/96/54/417249654.db2.gz OQBXOVLGXNTGJP-VXGBXAGGSA-N 1 0 305.378 0.118 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)CC12COC2 ZINC000451131222 417300511 /nfs/dbraw/zinc/30/05/11/417300511.db2.gz GURJAZVSLITHKO-QWHCGFSZSA-N 1 0 310.394 0.507 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CC12COC2 ZINC000451133630 417302032 /nfs/dbraw/zinc/30/20/32/417302032.db2.gz JZQPFDQXUQVZSM-NEPJUHHUSA-N 1 0 312.410 0.801 10 0 DCAERO C[C@H](O)CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000438998192 287380002 /nfs/dbraw/zinc/38/00/02/287380002.db2.gz KDQUEKWWKLXYAM-HNNXBMFYSA-N 1 0 305.422 0.691 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000644064790 417464443 /nfs/dbraw/zinc/46/44/43/417464443.db2.gz SZNAGNQOTFCTEO-QJPTWQEYSA-N 1 0 303.428 0.044 10 0 DCAERO CN(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cn1 ZINC000453924719 417537755 /nfs/dbraw/zinc/53/77/55/417537755.db2.gz IUIWHECMJWDWAZ-WCQYABFASA-N 1 0 317.393 0.249 10 0 DCAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630043085 417806956 /nfs/dbraw/zinc/80/69/56/417806956.db2.gz UILPWESNFZQCJJ-RDJZCZTQSA-N 1 0 321.417 0.871 10 0 DCAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630047517 417812870 /nfs/dbraw/zinc/81/28/70/417812870.db2.gz UHPAAFLQOPHXBO-OAGGEKHMSA-N 1 0 312.454 0.838 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Br)c(O)c1 ZINC000647040440 417976389 /nfs/dbraw/zinc/97/63/89/417976389.db2.gz XWHBCOOYYHFONM-LDYMZIIASA-N 1 0 315.167 0.465 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074357602 299848154 /nfs/dbraw/zinc/84/81/54/299848154.db2.gz KDSSVEINDQPOKO-ZDUSSCGKSA-N 1 0 319.471 0.664 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000183964135 261117800 /nfs/dbraw/zinc/11/78/00/261117800.db2.gz SWUGMYQPDVLPEM-UHFFFAOYSA-N 1 0 318.377 0.047 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187952199 261125114 /nfs/dbraw/zinc/12/51/14/261125114.db2.gz CKNKPICKFBENBV-WFASDCNBSA-N 1 0 300.399 0.491 10 0 DCAERO COCCN1CCCN(C(=O)NCC[N@H+](C)C(C)C)CC1=O ZINC000189256514 261131295 /nfs/dbraw/zinc/13/12/95/261131295.db2.gz DACXEMWVTYUESD-UHFFFAOYSA-N 1 0 314.430 0.217 10 0 DCAERO CC[C@H](C(N)=O)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191979886 261137903 /nfs/dbraw/zinc/13/79/03/261137903.db2.gz GESJFPILOZFIIJ-CYBMUJFWSA-N 1 0 313.442 0.988 10 0 DCAERO COC(=O)CCN1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000194824805 261148535 /nfs/dbraw/zinc/14/85/35/261148535.db2.gz RXVLYGBFVHOHDU-BFHYXJOUSA-N 1 0 312.410 0.755 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000362758279 262068193 /nfs/dbraw/zinc/06/81/93/262068193.db2.gz VFWVFGSATFYWCR-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000362993044 262093086 /nfs/dbraw/zinc/09/30/86/262093086.db2.gz PEXNDWMMEFVOEH-UHFFFAOYSA-N 1 0 320.437 0.949 10 0 DCAERO [NH3+]CC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000397014151 262163326 /nfs/dbraw/zinc/16/33/26/262163326.db2.gz OSUUIJJVNQNWPB-UHFFFAOYSA-N 1 0 322.789 0.953 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC12COC2 ZINC000452265248 271912144 /nfs/dbraw/zinc/91/21/44/271912144.db2.gz PYUCOVNJXMTDGT-KGLIPLIRSA-N 1 0 322.405 0.651 10 0 DCAERO COCC1(CNC(=O)[C@@H]2CCc3cnn(C)c3C2)CC[NH2+]CC1 ZINC000515054345 272415427 /nfs/dbraw/zinc/41/54/27/272415427.db2.gz SUSAACOJWOGKRE-CYBMUJFWSA-N 1 0 320.437 0.657 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NCc1nnc2n1CCCC2 ZINC000536016619 287849011 /nfs/dbraw/zinc/84/90/11/287849011.db2.gz FFCUZCSUTDHZGZ-UHFFFAOYSA-N 1 0 315.381 0.343 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1nnc2ccccn21 ZINC000536600825 287858576 /nfs/dbraw/zinc/85/85/76/287858576.db2.gz NAXSDMQUIPMKOB-GFCCVEGCSA-N 1 0 303.366 0.314 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000538314850 287877505 /nfs/dbraw/zinc/87/75/05/287877505.db2.gz RYXAHJFBHAXQTQ-UHFFFAOYSA-N 1 0 304.394 0.750 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000184003432 276349489 /nfs/dbraw/zinc/34/94/89/276349489.db2.gz XAGXHNGASKUVDX-LBPRGKRZSA-N 1 0 312.439 0.542 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333098469 276384350 /nfs/dbraw/zinc/38/43/50/276384350.db2.gz CACJZEWZRQAYRB-QLFBSQMISA-N 1 0 315.483 0.732 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248965094 277019199 /nfs/dbraw/zinc/01/91/99/277019199.db2.gz NPCICAYZGBBCDK-AYRXBEOTSA-N 1 0 311.426 0.205 10 0 DCAERO Cn1cc(N2CCC[C@@H](N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2=O)cn1 ZINC000193639373 277198283 /nfs/dbraw/zinc/19/82/83/277198283.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 1 0 303.410 0.409 10 0 DCAERO CC(C)CN(C)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408029246 277374691 /nfs/dbraw/zinc/37/46/91/277374691.db2.gz SMMLSAPLKLSJLJ-STQMWFEESA-N 1 0 305.444 0.224 10 0 DCAERO Cc1nnc2n1C[C@H](CNC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000543682835 287962281 /nfs/dbraw/zinc/96/22/81/287962281.db2.gz ZANSHVPALQZXKB-ZDUSSCGKSA-N 1 0 308.430 0.742 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000329198258 278097850 /nfs/dbraw/zinc/09/78/50/278097850.db2.gz ALDQLUSBAXUTLF-MGPQQGTHSA-N 1 0 306.410 0.359 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333765629 278134690 /nfs/dbraw/zinc/13/46/90/278134690.db2.gz QDJMZHOWUUZZIZ-OSFYFWSMSA-N 1 0 323.437 0.205 10 0 DCAERO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000547768585 288077142 /nfs/dbraw/zinc/07/71/42/288077142.db2.gz BNVGORKAOLZGKV-MLGOLLRUSA-N 1 0 311.426 0.613 10 0 DCAERO CCN(CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C1CC1 ZINC000262347034 279057768 /nfs/dbraw/zinc/05/77/68/279057768.db2.gz HXHJRPKUXVEQQK-UHFFFAOYSA-N 1 0 306.414 0.705 10 0 DCAERO C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1(F)F ZINC000408233074 279095852 /nfs/dbraw/zinc/09/58/52/279095852.db2.gz RJNVTPKPAKDADW-VXGBXAGGSA-N 1 0 318.364 0.573 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123006111 279125993 /nfs/dbraw/zinc/12/59/93/279125993.db2.gz XVVPDKLDEPYWQS-UPJWGTAASA-N 1 0 314.430 0.247 10 0 DCAERO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249097035 279239384 /nfs/dbraw/zinc/23/93/84/279239384.db2.gz OUBTVHFKFLIASL-HOTGVXAUSA-N 1 0 300.443 0.553 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000175399046 279327944 /nfs/dbraw/zinc/32/79/44/279327944.db2.gz GUDMSXLPVPSSGI-MJBXVCDLSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000332927161 288129137 /nfs/dbraw/zinc/12/91/37/288129137.db2.gz JJYFSOBZBGOZPT-WFFHOREQSA-N 1 0 310.398 0.803 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)C12CCOCC2 ZINC000333592619 279819720 /nfs/dbraw/zinc/81/97/20/279819720.db2.gz PJAAYAAXEWNSDH-JHJVBQTASA-N 1 0 310.394 0.698 10 0 DCAERO C[C@@H]1CN(C(=O)c2cccc3ncnn32)CC[N@@H+]1CC(C)(C)O ZINC000548712536 288169615 /nfs/dbraw/zinc/16/96/15/288169615.db2.gz MOSXMRWLAKZWBR-GFCCVEGCSA-N 1 0 317.393 0.647 10 0 DCAERO CS[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000548800574 288177044 /nfs/dbraw/zinc/17/70/44/288177044.db2.gz OIPKACCHAQYZBE-UONOGXRCSA-N 1 0 324.450 0.837 10 0 DCAERO COC[C@H](O)C[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000549261491 288195569 /nfs/dbraw/zinc/19/55/69/288195569.db2.gz JYWHRXUJLCMMID-MRXNPFEDSA-N 1 0 321.421 0.452 10 0 DCAERO O=C1[C@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1C1CCOCC1 ZINC000328669817 280323152 /nfs/dbraw/zinc/32/31/52/280323152.db2.gz MGDKNHAUTLRYOD-TZMCWYRMSA-N 1 0 319.409 0.764 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000333806175 280362185 /nfs/dbraw/zinc/36/21/85/280362185.db2.gz IOACKYUIODGTPC-OWCLPIDISA-N 1 0 324.469 0.881 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000554387857 288319655 /nfs/dbraw/zinc/31/96/55/288319655.db2.gz YJJNFNAHULEXRZ-ZDUSSCGKSA-N 1 0 323.418 0.247 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157294572 281986263 /nfs/dbraw/zinc/98/62/63/281986263.db2.gz DSRHHRUCKJTBOP-GJZGRUSLSA-N 1 0 303.406 0.944 10 0 DCAERO O=C(CN1CCc2ccccc2C1=O)NCCNc1cc[nH+]cc1 ZINC000562507783 288581158 /nfs/dbraw/zinc/58/11/58/288581158.db2.gz VINHPYNAPCFEGB-UHFFFAOYSA-N 1 0 324.384 0.730 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565363713 288846953 /nfs/dbraw/zinc/84/69/53/288846953.db2.gz QCJNSMGTOLEBNU-GFCCVEGCSA-N 1 0 318.830 0.838 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000333287520 288853504 /nfs/dbraw/zinc/85/35/04/288853504.db2.gz NUFWKLPFOGZNAW-MJBXVCDLSA-N 1 0 305.426 0.623 10 0 DCAERO Cc1csc(=O)n1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116790347 293014659 /nfs/dbraw/zinc/01/46/59/293014659.db2.gz SBGZQLDXKCVGSZ-LBPRGKRZSA-N 1 0 313.423 0.397 10 0 DCAERO COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123621166 293024833 /nfs/dbraw/zinc/02/48/33/293024833.db2.gz ZLNLGHIQMFWZAI-XQQFMLRXSA-N 1 0 314.430 0.262 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000329301860 295519588 /nfs/dbraw/zinc/51/95/88/295519588.db2.gz WCPHOIYIOMQZSH-SYQHCUMBSA-N 1 0 314.451 0.958 10 0 DCAERO NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262769806 303300789 /nfs/dbraw/zinc/30/07/89/303300789.db2.gz MGEIIIWSVNRSCQ-UPJWGTAASA-N 1 0 319.409 0.582 10 0 DCAERO CC[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)CC[N@@H+]1C[C@@H](C)O ZINC000188189842 333038868 /nfs/dbraw/zinc/03/88/68/333038868.db2.gz DFXGGWHCFUKJOR-VXGBXAGGSA-N 1 0 317.393 0.875 10 0 DCAERO Cc1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000189385276 333081179 /nfs/dbraw/zinc/08/11/79/333081179.db2.gz NBTGPVMXNJHRLA-HOTGVXAUSA-N 1 0 308.422 0.733 10 0 DCAERO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCCC2=O)ccc1O ZINC000152965280 533785130 /nfs/dbraw/zinc/78/51/30/533785130.db2.gz IGHYITNAKBYNQM-CYBMUJFWSA-N 1 0 308.378 0.816 10 0 DCAERO Cc1cc(F)c(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000299742216 533817967 /nfs/dbraw/zinc/81/79/67/533817967.db2.gz IVGFWUXEXBMTJL-NEPJUHHUSA-N 1 0 318.345 0.635 10 0 DCAERO 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524465804 /nfs/dbraw/zinc/46/58/04/524465804.db2.gz MWCBQDZFVSFJMF-HOCLYGCPSA-N 1 0 309.454 0.945 10 0 DCAERO O=C(C[N@H+]1CC[C@H](CO)C1)NCCN1CCc2ccccc21 ZINC000157447292 526805448 /nfs/dbraw/zinc/80/54/48/526805448.db2.gz VIBAFOXSBPVIQY-AWEZNQCLSA-N 1 0 303.406 0.480 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@H]12 ZINC000248641142 527368734 /nfs/dbraw/zinc/36/87/34/527368734.db2.gz RIHOEXAVYBAVOX-PAPYEOQZSA-N 1 0 305.422 0.973 10 0 DCAERO CCOCC[N@@H+]1CCN(c2cncc(C(N)=O)n2)C[C@@H]1CC ZINC000176922373 528755484 /nfs/dbraw/zinc/75/54/84/528755484.db2.gz QQHAJMYXTBJSFH-LBPRGKRZSA-N 1 0 307.398 0.513 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+](C)C)CC12COC2 ZINC000455448825 535668535 /nfs/dbraw/zinc/66/85/35/535668535.db2.gz QGAIQUVORPFQFH-NWDGAFQWSA-N 1 0 313.398 0.158 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[C@@H]1[NH3+] ZINC000230858790 545948392 /nfs/dbraw/zinc/94/83/92/545948392.db2.gz CSVARCSLQYDHJE-SCZZXKLOSA-N 1 0 306.819 0.821 10 0 DCAERO 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ADVLVXQQVFWWJT-JSGCOSHPSA-N 1 0 317.393 0.631 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000261837234 545977815 /nfs/dbraw/zinc/97/78/15/545977815.db2.gz UOOSQILUKKIGAF-ZIAGYGMSSA-N 1 0 321.425 0.529 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccnc1N1CCCCC1 ZINC000262060736 545978367 /nfs/dbraw/zinc/97/83/67/545978367.db2.gz AVVOYMNJZMYEFA-OCCSQVGLSA-N 1 0 304.394 0.382 10 0 DCAERO Cc1ccc(C2(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CCOCC2)cc1 ZINC000262103791 545979301 /nfs/dbraw/zinc/97/93/01/545979301.db2.gz DYTDIAHNGXLDMZ-ZBFHGGJFSA-N 1 0 318.417 0.740 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cc1F ZINC000262111202 545979334 /nfs/dbraw/zinc/97/93/34/545979334.db2.gz FIVIOQRKBKAYHI-WRWORJQWSA-N 1 0 317.158 0.898 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cn2)n1 ZINC000262246708 545981934 /nfs/dbraw/zinc/98/19/34/545981934.db2.gz LHFCACIAEQJBPA-KBPBESRZSA-N 1 0 315.377 0.194 10 0 DCAERO CCCOc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262282674 545982513 /nfs/dbraw/zinc/98/25/13/545982513.db2.gz OBCQPTYGCBHZSM-DOMZBBRYSA-N 1 0 308.378 0.551 10 0 DCAERO CCCOc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262282678 545983017 /nfs/dbraw/zinc/98/30/17/545983017.db2.gz OBCQPTYGCBHZSM-SWLSCSKDSA-N 1 0 308.378 0.551 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cnc(-c2ccccn2)s1 ZINC000262385073 545985412 /nfs/dbraw/zinc/98/54/12/545985412.db2.gz XJDHGCRPQFYYNV-KOLCDFICSA-N 1 0 304.375 0.515 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cn2ccnc2)cc1 ZINC000262379694 545985659 /nfs/dbraw/zinc/98/56/59/545985659.db2.gz WWXPWUDKFIEXFL-LSDHHAIUSA-N 1 0 300.362 0.242 10 0 DCAERO COc1ccc2nc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)ccc2c1 ZINC000262388041 545985680 /nfs/dbraw/zinc/98/56/80/545985680.db2.gz XQRDNFAVAWTQCE-IAQYHMDHSA-N 1 0 301.346 0.554 10 0 DCAERO CN(C)Cc1csc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000722384175 661094623 /nfs/dbraw/zinc/09/46/23/661094623.db2.gz VGMGWEKZJUXTJO-LLVKDONJSA-N 1 0 318.468 0.376 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccncn1)C2 ZINC000888095461 661166399 /nfs/dbraw/zinc/16/63/99/661166399.db2.gz YUJUQDUILRATOW-NYTXWWLZSA-N 1 0 304.394 0.686 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccncn1)C2 ZINC000888095456 661166558 /nfs/dbraw/zinc/16/65/58/661166558.db2.gz YUJUQDUILRATOW-HGTKMLMNSA-N 1 0 304.394 0.686 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723998088 657823669 /nfs/dbraw/zinc/82/36/69/657823669.db2.gz ILSGPCMUONCUOO-HZSPNIEDSA-N 1 0 302.440 0.815 10 0 DCAERO CN1CCOC[C@H]1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724100092 657962230 /nfs/dbraw/zinc/96/22/30/657962230.db2.gz BTFAPKRPSKQTCG-BDAKNGLRSA-N 1 0 306.275 0.855 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000176196128 657977943 /nfs/dbraw/zinc/97/79/43/657977943.db2.gz XKLQYIIZPUEYEJ-STQMWFEESA-N 1 0 321.425 0.855 10 0 DCAERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cccc(F)c1 ZINC000725026312 658029026 /nfs/dbraw/zinc/02/90/26/658029026.db2.gz FKFONGANTJXZIL-UHFFFAOYSA-N 1 0 302.371 0.954 10 0 DCAERO C[C@@H]1CCCCN1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000725026728 658029880 /nfs/dbraw/zinc/02/98/80/658029880.db2.gz HKHQWIIIHGBWFA-GFCCVEGCSA-N 1 0 305.444 0.545 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1(C)C ZINC000725043591 658081166 /nfs/dbraw/zinc/08/11/66/658081166.db2.gz NJJUDWTWPSFSMI-YNEHKIRRSA-N 1 0 304.456 0.556 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356417953 665590754 /nfs/dbraw/zinc/59/07/54/665590754.db2.gz ACVATTHHEQPGQQ-GFCCVEGCSA-N 1 0 315.439 0.135 10 0 DCAERO CC1(C)CC2(CC(=O)O[C@@H]2CS(N)(=O)=O)CC(C)(C)[NH2+]1 ZINC000757216010 658666893 /nfs/dbraw/zinc/66/68/93/658666893.db2.gz FUYHSUKURADRSA-SECBINFHSA-N 1 0 304.412 0.517 10 0 DCAERO CCCCN(C(=O)[C@@H]([NH3+])CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000052808437 658827043 /nfs/dbraw/zinc/82/70/43/658827043.db2.gz AWLMWTYPTNYJMA-RYUDHWBXSA-N 1 0 306.428 0.166 10 0 DCAERO CN(Cc1cnn(-c2ccccc2)n1)C(=O)C1([NH3+])CCOCC1 ZINC000261649312 661347611 /nfs/dbraw/zinc/34/76/11/661347611.db2.gz AIVIMXGQTOFNKE-UHFFFAOYSA-N 1 0 315.377 0.734 10 0 DCAERO C[C@@H]([NH3+])CC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000261668870 661379832 /nfs/dbraw/zinc/37/98/32/661379832.db2.gz ALFZKWXWFFOVIV-OLZOCXBDSA-N 1 0 310.442 0.315 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000261709196 661517457 /nfs/dbraw/zinc/51/74/57/661517457.db2.gz JUJTTWAFAPWSFN-SECBINFHSA-N 1 0 304.799 0.838 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328986557 661603509 /nfs/dbraw/zinc/60/35/09/661603509.db2.gz RECCKFLLFDDCNM-OLZOCXBDSA-N 1 0 302.382 0.581 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000261854180 661753737 /nfs/dbraw/zinc/75/37/37/661753737.db2.gz XPGZYPOSGUCIKO-XHDPSFHLSA-N 1 0 307.394 0.987 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000261854176 661753782 /nfs/dbraw/zinc/75/37/82/661753782.db2.gz XPGZYPOSGUCIKO-NHYWBVRUSA-N 1 0 307.394 0.987 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000338950735 661809339 /nfs/dbraw/zinc/80/93/39/661809339.db2.gz FBYBKYWWSLYFOQ-CQSZACIVSA-N 1 0 311.451 0.995 10 0 DCAERO O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)NCC(F)(F)F ZINC000261936057 661872370 /nfs/dbraw/zinc/87/23/70/661872370.db2.gz MFPFXRWCWRQVEM-GMTAPVOTSA-N 1 0 309.332 0.412 10 0 DCAERO O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)NCC(F)(F)F ZINC000261936055 661872761 /nfs/dbraw/zinc/87/27/61/661872761.db2.gz MFPFXRWCWRQVEM-AXFHLTTASA-N 1 0 309.332 0.412 10 0 DCAERO CCn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2cc[nH]c(=O)c2)cn1 ZINC000895054369 662053044 /nfs/dbraw/zinc/05/30/44/662053044.db2.gz JZDMMIKMMJQAPX-UONOGXRCSA-N 1 0 304.350 0.940 10 0 DCAERO CN1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n[nH]1 ZINC000896415607 662269798 /nfs/dbraw/zinc/26/97/98/662269798.db2.gz MHERLZBWVYEJHO-WFASDCNBSA-N 1 0 321.425 0.579 10 0 DCAERO [NH3+]C1CCN(CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000321207703 662618348 /nfs/dbraw/zinc/61/83/48/662618348.db2.gz PYOMEVZIPWSGOG-UHFFFAOYSA-N 1 0 301.387 0.527 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630786 663100892 /nfs/dbraw/zinc/10/08/92/663100892.db2.gz MCTRHURNYKVXOV-ZIAGYGMSSA-N 1 0 310.394 0.555 10 0 DCAERO O=S(=O)(CC[NH2+]C[C@@H](O)CC1CCCC1)N1CCCC1 ZINC000721888413 663490932 /nfs/dbraw/zinc/49/09/32/663490932.db2.gz BFWOSSLDJYWJPA-AWEZNQCLSA-N 1 0 304.456 0.943 10 0 DCAERO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCCO1 ZINC000183092269 665973640 /nfs/dbraw/zinc/97/36/40/665973640.db2.gz GGOQJIPTODQYEN-GXTWGEPZSA-N 1 0 312.410 0.945 10 0 DCAERO CC(C)(O)C[NH+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000172910553 664625596 /nfs/dbraw/zinc/62/55/96/664625596.db2.gz AATUVIHDWFOHNJ-ZIAGYGMSSA-N 1 0 321.421 0.284 10 0 DCAERO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000152688998 664769683 /nfs/dbraw/zinc/76/96/83/664769683.db2.gz 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667240856 /nfs/dbraw/zinc/24/08/56/667240856.db2.gz BBFYLSSHTAEQQB-LLVKDONJSA-N 1 0 303.370 0.329 10 0 DCAERO Cn1ncc(Br)c1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708642879 667443135 /nfs/dbraw/zinc/44/31/35/667443135.db2.gz GOXVNBZHDABJFQ-SNVBAGLBSA-N 1 0 317.231 0.729 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1C(F)(F)F ZINC000709802107 667445652 /nfs/dbraw/zinc/44/56/52/667445652.db2.gz IODHAALWEDYHGX-PSASIEDQSA-N 1 0 309.313 0.839 10 0 DCAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCN2CCC(O)CC2)C1 ZINC000710918458 667447012 /nfs/dbraw/zinc/44/70/12/667447012.db2.gz XSMNYRIUOBKVPG-UHFFFAOYSA-N 1 0 313.442 0.900 10 0 DCAERO COc1cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc(Br)c1O ZINC000717314153 667559188 /nfs/dbraw/zinc/55/91/88/667559188.db2.gz BPGNYWCNADOPRP-OIBJUYFYSA-N 1 0 320.183 0.995 10 0 DCAERO Cc1c([C@H]2C[N@H+](CCc3ccccn3)C[C@@H]2C(N)=O)cnn1C ZINC000886071858 667728412 /nfs/dbraw/zinc/72/84/12/667728412.db2.gz DMHOJAACUUXVHT-CVEARBPZSA-N 1 0 313.405 0.867 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)S(=O)(=O)C2COC2)C1 ZINC000886079240 667729727 /nfs/dbraw/zinc/72/97/27/667729727.db2.gz CHVYDWYJNWTDFZ-YUTCNCBUSA-N 1 0 318.439 0.289 10 0 DCAERO CC(C)n1cnc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC000886085084 667730363 /nfs/dbraw/zinc/73/03/63/667730363.db2.gz ZZNGXLACKZJUTM-KGLIPLIRSA-N 1 0 317.397 0.683 10 0 DCAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC(=O)OC)n2)C1 ZINC000743164065 667803884 /nfs/dbraw/zinc/80/38/84/667803884.db2.gz PWDYHLMNLZSKQM-LLVKDONJSA-N 1 0 309.370 0.519 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccns2)C[C@H]1C(F)(F)F ZINC000717683177 667875529 /nfs/dbraw/zinc/87/55/29/667875529.db2.gz KMVVJFXWWKXIIY-RNFRBKRXSA-N 1 0 315.342 0.901 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)N2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000717081888 668539568 /nfs/dbraw/zinc/53/95/68/668539568.db2.gz KYQZAHJDOYZQPN-VHSXEESVSA-N 1 0 315.361 0.929 10 0 DCAERO O[C@@]1(Cn2ccnn2)CC[N@H+](CCSc2ccncc2)C1 ZINC000930422679 669013435 /nfs/dbraw/zinc/01/34/35/669013435.db2.gz HYDAFRCVGHYFTO-AWEZNQCLSA-N 1 0 305.407 0.902 10 0 DCAERO Cn1cc(C[NH2+]CC2(O)CCOCC2)c(Br)n1 ZINC000712491552 670149265 /nfs/dbraw/zinc/14/92/65/670149265.db2.gz ORRWQEKTVZBLKS-UHFFFAOYSA-N 1 0 304.188 0.814 10 0 DCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCN1CCCS1(=O)=O ZINC000713021678 670152545 /nfs/dbraw/zinc/15/25/45/670152545.db2.gz JRYCADSFUAMPJR-NSHDSACASA-N 1 0 305.444 0.148 10 0 DCAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2cnn(Cc3ccccc3)c2)CO1 ZINC000713790010 670168104 /nfs/dbraw/zinc/16/81/04/670168104.db2.gz BWQKSUDCCPUPSO-HZPDHXFCSA-N 1 0 314.389 0.911 10 0 DCAERO O=C(NCc1ncc(Br)s1)[C@@H]1C[NH2+]CCOC1 ZINC000714939176 670196874 /nfs/dbraw/zinc/19/68/74/670196874.db2.gz LRHBFQUOXOWTKM-SSDOTTSWSA-N 1 0 320.212 0.758 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000190100665 670204828 /nfs/dbraw/zinc/20/48/28/670204828.db2.gz HTXDQMMKNDSUOA-GXTWGEPZSA-N 1 0 319.409 0.927 10 0 DCAERO O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715506949 670213180 /nfs/dbraw/zinc/21/31/80/670213180.db2.gz QNBYLPZEOPVYRV-YRGRVCCFSA-N 1 0 300.424 0.460 10 0 DCAERO Cc1c(C(=O)NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)nnn1C ZINC000818245682 670995789 /nfs/dbraw/zinc/99/57/89/670995789.db2.gz QZQNJHUZOJAVMN-CYBMUJFWSA-N 1 0 316.365 0.189 10 0 DCAERO c1nnc2c(NCc3cc(O[C@H]4CC[NH2+]C4)ccn3)nccn12 ZINC000818629501 671039177 /nfs/dbraw/zinc/03/91/77/671039177.db2.gz XPCYLIHEHUVJNY-ZDUSSCGKSA-N 1 0 311.349 0.872 10 0 DCAERO C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@](O)(c3cn[nH]n3)C2)C1 ZINC000858766840 671039955 /nfs/dbraw/zinc/03/99/55/671039955.db2.gz UWYBFWLKPBHKTF-IUODEOHRSA-N 1 0 322.413 0.140 10 0 DCAERO CC(C)OCCS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717020224 672115803 /nfs/dbraw/zinc/11/58/03/672115803.db2.gz MZGRVMKQJSWSIB-SNVBAGLBSA-N 1 0 300.371 0.576 10 0 DCAERO C[NH+](C)C[C@@H](O)CNc1ncc(I)cn1 ZINC000389900116 685258530 /nfs/dbraw/zinc/25/85/30/685258530.db2.gz CKPGFIVTIWKFQE-QMMMGPOBSA-N 1 0 322.150 0.416 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN3CCSC[C@H]23)C1 ZINC000718348695 685304712 /nfs/dbraw/zinc/30/47/12/685304712.db2.gz RXOIYTFWUZEJTQ-RWMBFGLXSA-N 1 0 304.481 0.733 10 0 DCAERO C[NH2+]CCCCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000719672574 685311109 /nfs/dbraw/zinc/31/11/09/685311109.db2.gz ISVRNUSGVJJSMU-LBPRGKRZSA-N 1 0 305.444 0.306 10 0 DCAERO CC(C)N(C)S(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720170487 685312268 /nfs/dbraw/zinc/31/22/68/685312268.db2.gz YDQCMPDMKJDHKP-LBPRGKRZSA-N 1 0 305.444 0.320 10 0 DCAERO Cn1cc(CNC2CC[NH+](CCO)CC2)c(Br)n1 ZINC000720661166 685314343 /nfs/dbraw/zinc/31/43/43/685314343.db2.gz RDICSRZVEFTJRG-UHFFFAOYSA-N 1 0 317.231 0.729 10 0 DCAERO C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000720792796 685314641 /nfs/dbraw/zinc/31/46/41/685314641.db2.gz FFXASWNWWQYAFM-CSMHCCOUSA-N 1 0 302.318 0.015 10 0 DCAERO [NH2+]=C(NCCNC(=O)c1ccc(O)cc1)NC[C@H]1CCCO1 ZINC000066245459 685065279 /nfs/dbraw/zinc/06/52/79/685065279.db2.gz JFMXMCAVWHXCEQ-CYBMUJFWSA-N 1 0 306.366 0.205 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000245999223 685159851 /nfs/dbraw/zinc/15/98/51/685159851.db2.gz JOVFWFIXEKZLKB-STQMWFEESA-N 1 0 319.471 0.793 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246160727 685161608 /nfs/dbraw/zinc/16/16/08/685161608.db2.gz AHFFGSAECICWIV-GVDBMIGSSA-N 1 0 317.433 0.992 10 0 DCAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1nnnn1C1CC1 ZINC000249396441 685179588 /nfs/dbraw/zinc/17/95/88/685179588.db2.gz GWPWFLTWICCJLE-AAEUAGOBSA-N 1 0 319.413 0.949 10 0 DCAERO [NH3+][C@@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379662016 685235772 /nfs/dbraw/zinc/23/57/72/685235772.db2.gz HBWCQPKOKAKLQJ-GJZGRUSLSA-N 1 0 319.405 0.959 10 0 DCAERO COC(=O)CC[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000252892244 1157747835 /nfs/dbraw/zinc/74/78/35/1157747835.db2.gz MZGLWJDGCWQUED-UONOGXRCSA-N 1 0 303.399 0.816 10 0 DCAERO CO[C@H]1CCN(S(=O)(=O)N2CCCCCC2)[C@H](C[NH3+])C1 ZINC000167305450 1157778606 /nfs/dbraw/zinc/77/86/06/1157778606.db2.gz MQHPLMCQEMLLHX-STQMWFEESA-N 1 0 305.444 0.545 10 0 DCAERO [NH3+]CCCCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000154340118 1180551757 /nfs/dbraw/zinc/55/17/57/1180551757.db2.gz JIHZZFJIUBNDLX-CQSZACIVSA-N 1 0 311.426 0.603 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]CCN1CCC(O)CC1 ZINC000321786218 775648237 /nfs/dbraw/zinc/64/82/37/775648237.db2.gz JHOYLNODLBXCSE-UHFFFAOYSA-N 1 0 317.231 0.729 10 0 DCAERO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250836100 776188282 /nfs/dbraw/zinc/18/82/82/776188282.db2.gz KVTHREIBHICALE-LPWJVIDDSA-N 1 0 300.424 0.601 10 0 DCAERO Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)n1 ZINC000278769975 214388902 /nfs/dbraw/zinc/38/89/02/214388902.db2.gz CGIIGFJHRAZMSY-MLGOLLRUSA-N 1 0 317.393 0.128 10 0 DCAERO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181567687 199319129 /nfs/dbraw/zinc/31/91/29/199319129.db2.gz NYXJMCVCTRENBX-JQWIXIFHSA-N 1 0 312.391 0.938 10 0 DCAERO CNC(=O)[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC000178400645 529896899 /nfs/dbraw/zinc/89/68/99/529896899.db2.gz OZSWDMJGWUDWDU-ZDUSSCGKSA-N 1 0 314.430 0.169 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000070969186 190927420 /nfs/dbraw/zinc/92/74/20/190927420.db2.gz DTUKMWXPSMSSGT-LLVKDONJSA-N 1 0 308.382 0.875 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCOc2ccc(CO)cc2C1 ZINC000072150302 191056008 /nfs/dbraw/zinc/05/60/08/191056008.db2.gz VERQUQYZAFKYNP-CQSZACIVSA-N 1 0 306.362 0.278 10 0 DCAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C(=O)NC(N)=O ZINC000173349816 186179496 /nfs/dbraw/zinc/17/94/96/186179496.db2.gz JKRDTLSUECVAHH-VHSXEESVSA-N 1 0 302.338 0.501 10 0 DCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000171983551 198020922 /nfs/dbraw/zinc/02/09/22/198020922.db2.gz LXRKSGBOOWNJQE-CZUORRHYSA-N 1 0 320.437 1.000 10 0 DCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1ccccn1 ZINC000172511118 198107969 /nfs/dbraw/zinc/10/79/69/198107969.db2.gz ADNLIZGZGULRRI-CYBMUJFWSA-N 1 0 304.394 0.802 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172591131 198120252 /nfs/dbraw/zinc/12/02/52/198120252.db2.gz JKDLVVYYWYYEQO-CQSZACIVSA-N 1 0 316.405 0.756 10 0 DCAERO Cc1cc(N2CC[C@H](N3CC[C@H](C[NH+](C)C)C3)C2=O)n(C)n1 ZINC000173395916 198209998 /nfs/dbraw/zinc/20/99/98/198209998.db2.gz ZKSOOWQKNVWGAP-KGLIPLIRSA-N 1 0 305.426 0.717 10 0 DCAERO O=C(NCCO)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173501046 198221605 /nfs/dbraw/zinc/22/16/05/198221605.db2.gz VBMFYJHVHYFKHO-MRXNPFEDSA-N 1 0 321.421 0.724 10 0 DCAERO CCOc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC2)n1 ZINC000182112271 199388033 /nfs/dbraw/zinc/38/80/33/199388033.db2.gz VNNGWVSPPSTYBA-OCCSQVGLSA-N 1 0 321.425 0.897 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)CC(C)(C)C)[C@H]2C1 ZINC000408040228 283155399 /nfs/dbraw/zinc/15/53/99/283155399.db2.gz FPTREKZMBRCYBG-QWHCGFSZSA-N 1 0 311.426 0.470 10 0 DCAERO CCC[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+](C)C ZINC000178647899 198903973 /nfs/dbraw/zinc/90/39/73/198903973.db2.gz NMBYWIJNEHDUQK-CYBMUJFWSA-N 1 0 319.409 0.687 10 0 DCAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000188497858 200256657 /nfs/dbraw/zinc/25/66/57/200256657.db2.gz LEXDYZOSUXSHAE-QWRGUYRKSA-N 1 0 313.423 0.851 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188644326 200280198 /nfs/dbraw/zinc/28/01/98/200280198.db2.gz KLUKZRWKNNOLBS-UHFFFAOYSA-N 1 0 315.377 0.897 10 0 DCAERO Cc1nc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(=O)[nH]c1C ZINC000155873016 291222533 /nfs/dbraw/zinc/22/25/33/291222533.db2.gz UPGLHAQGGJEXOC-LLVKDONJSA-N 1 0 321.425 0.000 10 0 DCAERO COCCN1C[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1=O ZINC000159077522 291233503 /nfs/dbraw/zinc/23/35/03/291233503.db2.gz LZUNBIPKXPUMEJ-MCIONIFRSA-N 1 0 311.426 0.326 10 0 DCAERO O=C(NCCc1cscn1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000261811110 238166517 /nfs/dbraw/zinc/16/65/17/238166517.db2.gz WYUVGTSLWRTYAV-LLVKDONJSA-N 1 0 306.395 0.632 10 0 DCAERO CCn1cc(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)cn1 ZINC000275634959 238309831 /nfs/dbraw/zinc/30/98/31/238309831.db2.gz SPIXULMMINWFRF-AWEZNQCLSA-N 1 0 316.409 0.755 10 0 DCAERO Cc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(=O)[nH]c1C ZINC000163971600 291247066 /nfs/dbraw/zinc/24/70/66/291247066.db2.gz ORJDPKYQZWATDS-ZDUSSCGKSA-N 1 0 322.409 0.570 10 0 DCAERO C[C@@H](NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCCCC1 ZINC000247209750 296048355 /nfs/dbraw/zinc/04/83/55/296048355.db2.gz PQSLGFUHQRGTNW-CABCVRRESA-N 1 0 322.453 0.284 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566506105 291309724 /nfs/dbraw/zinc/30/97/24/291309724.db2.gz YDKVVSJWPQIKGA-UHFFFAOYSA-N 1 0 306.366 0.415 10 0 DCAERO CCC[NH+]1CCC(NC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000566542277 291311413 /nfs/dbraw/zinc/31/14/13/291311413.db2.gz NKAITZMZOFYLDG-QGZVFWFLSA-N 1 0 321.421 0.590 10 0 DCAERO C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187050182 296127700 /nfs/dbraw/zinc/12/77/00/296127700.db2.gz DWOIWYHTQQPDDM-UKRRQHHQSA-N 1 0 318.483 0.636 10 0 DCAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000333121925 299403029 /nfs/dbraw/zinc/40/30/29/299403029.db2.gz CIFZXONKSXZIPY-QMGNLALYSA-N 1 0 323.437 0.515 10 0 DCAERO C[NH2+]C[C@@H](O)CS(=O)(=O)c1ccc(Br)cc1 ZINC000019685791 182136439 /nfs/dbraw/zinc/13/64/39/182136439.db2.gz BHFCZNRIBGIVBI-SECBINFHSA-N 1 0 308.197 0.803 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000041626594 183211647 /nfs/dbraw/zinc/21/16/47/183211647.db2.gz URDCTYRZJLDPSB-JTQLQIEISA-N 1 0 316.427 0.133 10 0 DCAERO CNC(=O)COc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000105058796 194067413 /nfs/dbraw/zinc/06/74/13/194067413.db2.gz RFRVHCIZVLEMCD-CYBMUJFWSA-N 1 0 320.393 0.979 10 0 DCAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000105873260 194152667 /nfs/dbraw/zinc/15/26/67/194152667.db2.gz KDXRSPFXNMMIOE-QWHCGFSZSA-N 1 0 323.441 0.676 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873784 194153610 /nfs/dbraw/zinc/15/36/10/194153610.db2.gz LMZMUVWVTQCDGN-VHSXEESVSA-N 1 0 308.386 0.150 10 0 DCAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000105896817 194162165 /nfs/dbraw/zinc/16/21/65/194162165.db2.gz MRMKNOXKPIEDEM-ZDUSSCGKSA-N 1 0 322.409 0.762 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000063020635 184267353 /nfs/dbraw/zinc/26/73/53/184267353.db2.gz FBQQVPKUZQERFE-UHFFFAOYSA-N 1 0 304.368 0.699 10 0 DCAERO CCC[NH+]1CCN(C(=O)c2nc3cccnc3n(C)c2=O)CC1 ZINC000065282647 184320677 /nfs/dbraw/zinc/32/06/77/184320677.db2.gz PYSXDKVQINUFLD-UHFFFAOYSA-N 1 0 315.377 0.496 10 0 DCAERO O=C(NC[C@@H]1CNC(=O)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334133481 252794663 /nfs/dbraw/zinc/79/46/63/252794663.db2.gz WIXPTVDQBYTULJ-UONOGXRCSA-N 1 0 308.426 0.782 10 0 DCAERO CC(C)[N@H+](C[C@H](C)O)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000340768257 253300864 /nfs/dbraw/zinc/30/08/64/253300864.db2.gz JCYYILLAUSVOKR-QWHCGFSZSA-N 1 0 320.389 0.735 10 0 DCAERO COCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107312246 285121672 /nfs/dbraw/zinc/12/16/72/285121672.db2.gz RAYZXRFDXWJPQY-AWEZNQCLSA-N 1 0 319.471 0.065 10 0 DCAERO CC(=O)N1CCN(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000350946828 254330788 /nfs/dbraw/zinc/33/07/88/254330788.db2.gz CPQDWDPZBCSEPO-INIZCTEOSA-N 1 0 324.469 0.531 10 0 DCAERO CN(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]2C1 ZINC000247988949 257112102 /nfs/dbraw/zinc/11/21/02/257112102.db2.gz LAIFDDQDJKKXNZ-KGLIPLIRSA-N 1 0 305.426 0.376 10 0 DCAERO CN(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2C1 ZINC000247941541 257113865 /nfs/dbraw/zinc/11/38/65/257113865.db2.gz AFBPKJJMPSVPKQ-CABCVRRESA-N 1 0 304.438 0.981 10 0 DCAERO O=C([C@@H]1C[C@@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCOCC1 ZINC000247756928 257118210 /nfs/dbraw/zinc/11/82/10/257118210.db2.gz DUQKHAPVXHXTJJ-UPJWGTAASA-N 1 0 323.418 0.734 10 0 DCAERO CS(=O)(=O)NC[C@@H]1OC[C@@H]2C[N@H+](Cc3ccoc3)CC[C@H]12 ZINC000247506687 257118742 /nfs/dbraw/zinc/11/87/42/257118742.db2.gz HEJADAYQXZLRFU-IHRRRGAJSA-N 1 0 314.407 0.666 10 0 DCAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000074157422 184961664 /nfs/dbraw/zinc/96/16/64/184961664.db2.gz MBTSITDKZUXRQD-LBPRGKRZSA-N 1 0 324.425 0.507 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000122494141 285385202 /nfs/dbraw/zinc/38/52/02/285385202.db2.gz SWEKSJXKIWDLBD-NEPJUHHUSA-N 1 0 324.425 0.506 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@H]21 ZINC000284189391 131057604 /nfs/dbraw/zinc/05/76/04/131057604.db2.gz YDWNYWZRXDIBFC-ZIAGYGMSSA-N 1 0 307.398 0.388 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3nnc4ccccc4n3)[C@H]2C1 ZINC000285058267 131134007 /nfs/dbraw/zinc/13/40/07/131134007.db2.gz QQMIXRUWVVUVKU-UONOGXRCSA-N 1 0 313.361 0.570 10 0 DCAERO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000285436226 131168595 /nfs/dbraw/zinc/16/85/95/131168595.db2.gz OCROZBVIKAFDJX-GJZGRUSLSA-N 1 0 321.425 0.467 10 0 DCAERO COc1cccc([C@H](O)C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000164221311 132132936 /nfs/dbraw/zinc/13/29/36/132132936.db2.gz OQSWSYSSBCLSHG-HOTGVXAUSA-N 1 0 320.389 0.708 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000120694435 132149764 /nfs/dbraw/zinc/14/97/64/132149764.db2.gz ZCCFYWBZJKPXEK-ONGXEEELSA-N 1 0 315.395 0.386 10 0 DCAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ncnc2n[nH]cc21 ZINC000085689365 395701637 /nfs/dbraw/zinc/70/16/37/395701637.db2.gz VXBLDWFBYSHHDA-NWDGAFQWSA-N 1 0 302.382 0.778 10 0 DCAERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCC1CC1 ZINC000042595641 395746928 /nfs/dbraw/zinc/74/69/28/395746928.db2.gz KYOMLLRLZJTARV-CQSZACIVSA-N 1 0 309.410 0.083 10 0 DCAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000101576315 395765623 /nfs/dbraw/zinc/76/56/23/395765623.db2.gz JDPABVQMXUUWTF-UHFFFAOYSA-N 1 0 300.428 0.820 10 0 DCAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000194126389 395789331 /nfs/dbraw/zinc/78/93/31/395789331.db2.gz VRYFFECJHLZIGB-CYBMUJFWSA-N 1 0 310.442 0.981 10 0 DCAERO C[N@H+]1C[C@H]2CN(CC(=O)NC(=O)NCc3ccccc3)C[C@H]2C1 ZINC000193611646 395773752 /nfs/dbraw/zinc/77/37/52/395773752.db2.gz UBIFRKRZJUNZQL-GASCZTMLSA-N 1 0 316.405 0.506 10 0 DCAERO COc1cccc(S(=O)(=O)CCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193616776 395774851 /nfs/dbraw/zinc/77/48/51/395774851.db2.gz DLVVTDJXRZDGFM-OKILXGFUSA-N 1 0 324.446 0.962 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)C1 ZINC000194650619 395803999 /nfs/dbraw/zinc/80/39/99/395803999.db2.gz KEAYSAHFQPUWAW-LBPRGKRZSA-N 1 0 324.425 0.698 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Cn1cccn1 ZINC000111837298 395814454 /nfs/dbraw/zinc/81/44/54/395814454.db2.gz SQXQUUADJUSUBS-LSDHHAIUSA-N 1 0 323.441 0.929 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195323327 395824914 /nfs/dbraw/zinc/82/49/14/395824914.db2.gz HXGKUXFNUMWDEW-ZDUSSCGKSA-N 1 0 323.418 0.515 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC([NH+](C)C)CC1 ZINC000114801931 395836743 /nfs/dbraw/zinc/83/67/43/395836743.db2.gz RJBFRHWIYQCRDU-LBPRGKRZSA-N 1 0 310.442 0.138 10 0 DCAERO COC(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116794367 395846149 /nfs/dbraw/zinc/84/61/49/395846149.db2.gz XLFDFBHMWVBYEM-AWEZNQCLSA-N 1 0 306.362 0.876 10 0 DCAERO CCn1cc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1=O ZINC000116928780 395849629 /nfs/dbraw/zinc/84/96/29/395849629.db2.gz OVRNVDWKIXLQEV-ZDUSSCGKSA-N 1 0 308.382 0.663 10 0 DCAERO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000225480408 395860914 /nfs/dbraw/zinc/86/09/14/395860914.db2.gz GNWOPJGZFVJTMF-QGZVFWFLSA-N 1 0 319.405 0.266 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2nccn2C(F)F)CCO1 ZINC000117043250 395850504 /nfs/dbraw/zinc/85/05/04/395850504.db2.gz PRQPJGULQRETDB-JTQLQIEISA-N 1 0 317.340 0.750 10 0 DCAERO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000223115405 395854483 /nfs/dbraw/zinc/85/44/83/395854483.db2.gz YIXABWIXAITSSX-JQWIXIFHSA-N 1 0 302.396 0.382 10 0 DCAERO CC[NH2+]CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000123644845 395896182 /nfs/dbraw/zinc/89/61/82/395896182.db2.gz OEXOTCIZNHDGKA-FZMZJTMJSA-N 1 0 302.440 0.911 10 0 DCAERO COCCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000054307740 395896408 /nfs/dbraw/zinc/89/64/08/395896408.db2.gz BFJSCXVSIMLKFD-STQMWFEESA-N 1 0 318.439 0.038 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000054455637 395899797 /nfs/dbraw/zinc/89/97/97/395899797.db2.gz BFTZJMGMZSZONN-GFCCVEGCSA-N 1 0 305.444 0.259 10 0 DCAERO CN(C)c1ncc(Br)cc1C(=O)NCCC[NH3+] ZINC000237064789 395902391 /nfs/dbraw/zinc/90/23/91/395902391.db2.gz AKHQYKNBFNQZNJ-UHFFFAOYSA-N 1 0 301.188 0.989 10 0 DCAERO [NH3+]Cc1nnnn1-c1cccc(I)c1 ZINC000054744461 395904333 /nfs/dbraw/zinc/90/43/33/395904333.db2.gz XGNUFCHMIHZDOH-UHFFFAOYSA-N 1 0 301.091 0.726 10 0 DCAERO CCCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887062 395907529 /nfs/dbraw/zinc/90/75/29/395907529.db2.gz FKXIZLYMCHLOLU-AWEZNQCLSA-N 1 0 311.426 0.474 10 0 DCAERO Ic1cnc(NC[C@@H]2C[NH2+]CCO2)nc1 ZINC000126287767 395911942 /nfs/dbraw/zinc/91/19/42/395911942.db2.gz ICMLCLUKTHKFGG-QMMMGPOBSA-N 1 0 320.134 0.482 10 0 DCAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000055265155 395914620 /nfs/dbraw/zinc/91/46/20/395914620.db2.gz IWAOPVXRSWUHDO-MCIONIFRSA-N 1 0 319.471 0.662 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000055292477 395916053 /nfs/dbraw/zinc/91/60/53/395916053.db2.gz LJKCWMXQYVEUMT-VXGBXAGGSA-N 1 0 317.455 0.557 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226464774 395866084 /nfs/dbraw/zinc/86/60/84/395866084.db2.gz IJEVNQSEWSVFRI-GFCCVEGCSA-N 1 0 300.428 0.800 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000230854361 395882450 /nfs/dbraw/zinc/88/24/50/395882450.db2.gz PHHJCJGJGRFRBJ-WCBMZHEXSA-N 1 0 306.819 0.869 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000245708744 395934120 /nfs/dbraw/zinc/93/41/20/395934120.db2.gz YDFVYXCQXPNYSX-OZTPJHRESA-N 1 0 311.451 0.991 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)nn1 ZINC000245903489 395937711 /nfs/dbraw/zinc/93/77/11/395937711.db2.gz BNZJSNSXKWKAPL-JSGCOSHPSA-N 1 0 308.382 0.495 10 0 DCAERO Cn1cnc2c1c(=O)n(CCC[N@H+](C)CCC1CC1)c(=O)n2C ZINC000135264170 395939074 /nfs/dbraw/zinc/93/90/74/395939074.db2.gz WFKUFEBKMXJAIU-UHFFFAOYSA-N 1 0 319.409 0.556 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC(=O)NCC3CC3)CC[C@H]21 ZINC000245976099 395939093 /nfs/dbraw/zinc/93/90/93/395939093.db2.gz ORKCBKCTXAEMCF-ZIAGYGMSSA-N 1 0 308.426 0.638 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nccn(C)c2=O)[C@@H](C)C1 ZINC000246016794 395939791 /nfs/dbraw/zinc/93/97/91/395939791.db2.gz UNQAALIXIOLNTC-NWDGAFQWSA-N 1 0 307.398 0.974 10 0 DCAERO CC[N@H+](CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000246091190 395941202 /nfs/dbraw/zinc/94/12/02/395941202.db2.gz HAVXLAOQVMEVEV-HOCLYGCPSA-N 1 0 324.469 0.833 10 0 DCAERO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000246434907 395949546 /nfs/dbraw/zinc/94/95/46/395949546.db2.gz NMTQQJRYXYNAJF-DGCLKSJQSA-N 1 0 320.393 0.874 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000246630289 395954285 /nfs/dbraw/zinc/95/42/85/395954285.db2.gz XAYKGVQTAKSQDQ-GOEBONIOSA-N 1 0 313.442 0.807 10 0 DCAERO CCN(CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC000139775897 395955232 /nfs/dbraw/zinc/95/52/32/395955232.db2.gz BYIJIFWSIFUKEP-LBPRGKRZSA-N 1 0 320.459 0.051 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC000246900848 395960815 /nfs/dbraw/zinc/96/08/15/395960815.db2.gz HPFZNFXSNVOWEI-OLZOCXBDSA-N 1 0 307.394 0.611 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000246962545 395961700 /nfs/dbraw/zinc/96/17/00/395961700.db2.gz XOBYPZDQIXPWLY-GJZGRUSLSA-N 1 0 309.410 0.178 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NCc1ccco1 ZINC000247100361 395966596 /nfs/dbraw/zinc/96/65/96/395966596.db2.gz IJOYBSMFCKRICR-STQMWFEESA-N 1 0 320.393 0.774 10 0 DCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196944 395968915 /nfs/dbraw/zinc/96/89/15/395968915.db2.gz WXCAEKICMSBPIQ-HOTGVXAUSA-N 1 0 308.426 0.349 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000247298104 395970730 /nfs/dbraw/zinc/97/07/30/395970730.db2.gz LEUAQDMNQRRUNC-ZIAGYGMSSA-N 1 0 302.440 0.770 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247553618 395975864 /nfs/dbraw/zinc/97/58/64/395975864.db2.gz ZMTKCKRCQXOMLC-HZSPNIEDSA-N 1 0 308.426 0.875 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247728208 395978099 /nfs/dbraw/zinc/97/80/99/395978099.db2.gz TXXUTSFXWLLIGK-CABCVRRESA-N 1 0 306.410 0.985 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCCn2ccnc2)CC[N@@H+]1C[C@H](C)O ZINC000248373993 395984842 /nfs/dbraw/zinc/98/48/42/395984842.db2.gz NDUPBBKWIQQFAM-LSDHHAIUSA-N 1 0 323.441 0.760 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000248431747 395987123 /nfs/dbraw/zinc/98/71/23/395987123.db2.gz ULPNVKJVEHPYJU-CHWSQXEVSA-N 1 0 321.425 0.773 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C[C@@H]12 ZINC000248558481 395989789 /nfs/dbraw/zinc/98/97/89/395989789.db2.gz AHWUHANENJJFLT-CUOATXAZSA-N 1 0 322.386 0.715 10 0 DCAERO Cc1ccn(C)c(=O)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000155162196 396047934 /nfs/dbraw/zinc/04/79/34/396047934.db2.gz ZQBLUBJXBZFJTD-CYBMUJFWSA-N 1 0 322.409 0.662 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000261594998 396047963 /nfs/dbraw/zinc/04/79/63/396047963.db2.gz CCLKJAZYIYSUDF-LBPRGKRZSA-N 1 0 313.423 0.698 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261572222 396048095 /nfs/dbraw/zinc/04/80/95/396048095.db2.gz AELRZWDILHMUKG-NRPADANISA-N 1 0 304.803 0.431 10 0 DCAERO Cn1c(CN2CCO[C@@H](C[NH+](C)C)C2)nc2ccccc2c1=O ZINC000155258001 396048507 /nfs/dbraw/zinc/04/85/07/396048507.db2.gz TWPAVGFFCFUQLZ-ZDUSSCGKSA-N 1 0 316.405 0.696 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000155557462 396054305 /nfs/dbraw/zinc/05/43/05/396054305.db2.gz UVLIFARQYPBMKT-AWEZNQCLSA-N 1 0 316.405 0.756 10 0 DCAERO C[NH2+][C@@H]1CCCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261676210 396055574 /nfs/dbraw/zinc/05/55/74/396055574.db2.gz CPGHJFVNUQRYSS-MRXNPFEDSA-N 1 0 316.449 0.849 10 0 DCAERO CCn1cnc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)c1 ZINC000261683222 396056234 /nfs/dbraw/zinc/05/62/34/396056234.db2.gz KDLGXNKJJVAVRH-ZDUSSCGKSA-N 1 0 321.406 0.633 10 0 DCAERO CCOc1ccc(OCCN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261782028 396065135 /nfs/dbraw/zinc/06/51/35/396065135.db2.gz SDKYTFKHEMDCSS-UHFFFAOYSA-N 1 0 321.421 0.828 10 0 DCAERO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000261822599 396069362 /nfs/dbraw/zinc/06/93/62/396069362.db2.gz WRSLKPAPZMUFRR-RBSFLKMASA-N 1 0 324.469 0.291 10 0 DCAERO C[C@H]1COCCN1CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000249515115 396009221 /nfs/dbraw/zinc/00/92/21/396009221.db2.gz IWDKABPEZUCNFL-ZWKOTPCHSA-N 1 0 324.513 0.809 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000250114708 396013550 /nfs/dbraw/zinc/01/35/50/396013550.db2.gz UGBOMABJWDMNDX-AVGNSLFASA-N 1 0 317.389 0.915 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000250089374 396013749 /nfs/dbraw/zinc/01/37/49/396013749.db2.gz QBYIISDTFGRHLE-KXUCPTDWSA-N 1 0 307.316 0.511 10 0 DCAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251725891 396017505 /nfs/dbraw/zinc/01/75/05/396017505.db2.gz QCVUHNMCFLGXDC-UPJWGTAASA-N 1 0 305.444 0.272 10 0 DCAERO [NH3+][C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000261989481 396087435 /nfs/dbraw/zinc/08/74/35/396087435.db2.gz MRRFIYRXTFKIFM-ZJUUUORDSA-N 1 0 323.315 0.020 10 0 DCAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262022581 396090788 /nfs/dbraw/zinc/09/07/88/396090788.db2.gz WTPKGMRHNSYLIL-BBWFWOEESA-N 1 0 309.454 0.992 10 0 DCAERO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)C1CCOCC1 ZINC000262042348 396093254 /nfs/dbraw/zinc/09/32/54/396093254.db2.gz QHYZYRFZKFARPS-CQSZACIVSA-N 1 0 305.334 0.710 10 0 DCAERO COCC(=O)NC[C@H]1CC[N@@H+](C2CCOCC2)C[C@H]1N(C)C ZINC000169788903 396093474 /nfs/dbraw/zinc/09/34/74/396093474.db2.gz QAOXYXNFILCCGK-UKRRQHHQSA-N 1 0 313.442 0.180 10 0 DCAERO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(C(=O)CSC)CC2 ZINC000169792928 396094103 /nfs/dbraw/zinc/09/41/03/396094103.db2.gz WREOUDZGWBGSOB-CYBMUJFWSA-N 1 0 316.467 0.529 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000170866670 396099487 /nfs/dbraw/zinc/09/94/87/396099487.db2.gz IJJMWIYMCWIINB-SNVBAGLBSA-N 1 0 317.436 0.189 10 0 DCAERO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864701 396099607 /nfs/dbraw/zinc/09/96/07/396099607.db2.gz ORFXJVRTLVJCSE-MWLCHTKSSA-N 1 0 310.427 0.651 10 0 DCAERO c1nnn(-c2ccc3c(c2)OCO3)c1CN1CCC[NH2+]CC1 ZINC000070461020 396101769 /nfs/dbraw/zinc/10/17/69/396101769.db2.gz ZWJIJKHPYZDQTB-UHFFFAOYSA-N 1 0 301.350 0.791 10 0 DCAERO O=C(NCc1ccc(Br)c(F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262457021 396142466 /nfs/dbraw/zinc/14/24/66/396142466.db2.gz FHNPDYLIKKONFH-KWQFWETISA-N 1 0 317.158 0.927 10 0 DCAERO CC(C)(C)NC(=O)NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262314100 396121918 /nfs/dbraw/zinc/12/19/18/396121918.db2.gz ZKIZITZVEKLGFQ-ZDUSSCGKSA-N 1 0 319.409 0.652 10 0 DCAERO COC[C@H]([NH3+])C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000262314708 396122306 /nfs/dbraw/zinc/12/23/06/396122306.db2.gz PNLMXNLCMCDPSO-ZDUSSCGKSA-N 1 0 307.394 0.754 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000262320839 396123909 /nfs/dbraw/zinc/12/39/09/396123909.db2.gz QIGCGGMCQGLUMM-SCRDCRAPSA-N 1 0 322.409 0.285 10 0 DCAERO COC[C@]1(CNS(=O)(=O)c2nc(C)c(C)s2)CCC[NH2+]1 ZINC000262327075 396124355 /nfs/dbraw/zinc/12/43/55/396124355.db2.gz RDLFHDVDISTMJV-GFCCVEGCSA-N 1 0 319.452 0.807 10 0 DCAERO C[NH2+]CCNS(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000262390184 396134201 /nfs/dbraw/zinc/13/42/01/396134201.db2.gz YSQALLUVINRING-UHFFFAOYSA-N 1 0 304.368 0.210 10 0 DCAERO Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262410917 396137507 /nfs/dbraw/zinc/13/75/07/396137507.db2.gz PFABYSDZNRXLPT-OCCSQVGLSA-N 1 0 302.378 0.574 10 0 DCAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000174474330 396138899 /nfs/dbraw/zinc/13/88/99/396138899.db2.gz HHRZEVMKZJOWJH-CHWSQXEVSA-N 1 0 319.471 0.505 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1 ZINC000261900620 396077235 /nfs/dbraw/zinc/07/72/35/396077235.db2.gz AEZPFVLMYCZXHT-AESZEHBQSA-N 1 0 320.437 0.781 10 0 DCAERO [NH3+]C1(C(=O)Nc2ccc(N3CCOCC3)cn2)CCOCC1 ZINC000261925358 396080466 /nfs/dbraw/zinc/08/04/66/396080466.db2.gz VOVJRNRTXCAOKT-UHFFFAOYSA-N 1 0 306.366 0.365 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@H]1CCCO1 ZINC000261925935 396080522 /nfs/dbraw/zinc/08/05/22/396080522.db2.gz CFDONDXFACRFNJ-OAHLLOKOSA-N 1 0 312.435 0.999 10 0 DCAERO COCCN(C)S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261936289 396080846 /nfs/dbraw/zinc/08/08/46/396080846.db2.gz DFLMIMDVDWPMME-UHFFFAOYSA-N 1 0 315.439 0.313 10 0 DCAERO C[C@@]1(CN2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939852 396081742 /nfs/dbraw/zinc/08/17/42/396081742.db2.gz DNIYVHNLDNDZGS-QGZVFWFLSA-N 1 0 308.470 0.616 10 0 DCAERO COC[C@@H](C)S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261952985 396083549 /nfs/dbraw/zinc/08/35/49/396083549.db2.gz GGGZLMHEYCKLFH-CYBMUJFWSA-N 1 0 300.424 0.855 10 0 DCAERO C[C@H](NC(=O)c1ccco1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263204718 396205968 /nfs/dbraw/zinc/20/59/68/396205968.db2.gz JOCXBJQZXDRELR-VHSXEESVSA-N 1 0 305.338 0.730 10 0 DCAERO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262545801 396153893 /nfs/dbraw/zinc/15/38/93/396153893.db2.gz RYPWMFCQJMJPSZ-SOUVJXGZSA-N 1 0 306.406 0.857 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000176386869 396154481 /nfs/dbraw/zinc/15/44/81/396154481.db2.gz OOFSLZYOYUFFGT-IUODEOHRSA-N 1 0 301.358 0.943 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]CC(=O)NCc1ccccc1OC ZINC000177404664 396174180 /nfs/dbraw/zinc/17/41/80/396174180.db2.gz XCOPLNLESADXIQ-MRXNPFEDSA-N 1 0 310.394 0.689 10 0 DCAERO CN1CCO[C@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486481 396177510 /nfs/dbraw/zinc/17/75/10/396177510.db2.gz VVEXHAZVRFQVDP-OAHLLOKOSA-N 1 0 307.394 0.833 10 0 DCAERO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262785046 396182187 /nfs/dbraw/zinc/18/21/87/396182187.db2.gz PYRTXVIHXGHXLI-WCBMZHEXSA-N 1 0 316.383 0.005 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)NCCC[NH3+])c(OC)c1 ZINC000262799828 396183205 /nfs/dbraw/zinc/18/32/05/396183205.db2.gz VGXAKWRZNIELOK-UHFFFAOYSA-N 1 0 302.352 0.109 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000262810697 396184000 /nfs/dbraw/zinc/18/40/00/396184000.db2.gz XYCWHVMGIXCUGX-IONNQARKSA-N 1 0 304.803 0.594 10 0 DCAERO Cc1nccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000262837982 396186250 /nfs/dbraw/zinc/18/62/50/396186250.db2.gz SUAHTXRGEHRLHQ-CYBMUJFWSA-N 1 0 300.366 0.836 10 0 DCAERO O=C(Nc1ccccc1O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178284473 396192895 /nfs/dbraw/zinc/19/28/95/396192895.db2.gz ZDHOJLGHFMNOTO-ZDUSSCGKSA-N 1 0 303.362 0.931 10 0 DCAERO C[C@@H](CNC(=O)Cn1cnc2c1ncnc2N)C[NH+]1CCCC1 ZINC000264445219 396281171 /nfs/dbraw/zinc/28/11/71/396281171.db2.gz RLSUUMMPLJCBPU-NSHDSACASA-N 1 0 317.397 0.257 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710624 396241505 /nfs/dbraw/zinc/24/15/05/396241505.db2.gz ZXEPYHARXCOHFE-UKRRQHHQSA-N 1 0 312.458 0.567 10 0 DCAERO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N1CCOCC1 ZINC000182330634 396250033 /nfs/dbraw/zinc/25/00/33/396250033.db2.gz BRGSSOHJAMFKBA-OAGGEKHMSA-N 1 0 324.469 0.833 10 0 DCAERO COc1ccccc1CN(C)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179179914 396223347 /nfs/dbraw/zinc/22/33/47/396223347.db2.gz BJCADIALTXJTGD-KGLIPLIRSA-N 1 0 308.378 0.081 10 0 DCAERO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CCCC1 ZINC000184623030 396300812 /nfs/dbraw/zinc/30/08/12/396300812.db2.gz IEGUPVXCERVDMI-VIFPVBQESA-N 1 0 305.382 0.629 10 0 DCAERO O=C(CCCCc1c[nH]nn1)NCCCC[NH+]1CCOCC1 ZINC000184662501 396301411 /nfs/dbraw/zinc/30/14/11/396301411.db2.gz NSKMUVNDXWFWOC-UHFFFAOYSA-N 1 0 309.414 0.746 10 0 DCAERO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccccc1Cl ZINC000184720674 396302371 /nfs/dbraw/zinc/30/23/71/396302371.db2.gz GYDLBNWZCXUSQA-OLZOCXBDSA-N 1 0 312.797 0.774 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184862162 396308528 /nfs/dbraw/zinc/30/85/28/396308528.db2.gz DSMIJCJRPOIBAC-QWHCGFSZSA-N 1 0 319.409 0.623 10 0 DCAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCCCN1CCCC1=O ZINC000185338836 396325011 /nfs/dbraw/zinc/32/50/11/396325011.db2.gz RSHRAECWRAIKON-CQSZACIVSA-N 1 0 313.442 0.454 10 0 DCAERO COCCCCS(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185936569 396337848 /nfs/dbraw/zinc/33/78/48/396337848.db2.gz CRNSJJHERIKMHR-CQSZACIVSA-N 1 0 321.487 0.358 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000186704794 396356021 /nfs/dbraw/zinc/35/60/21/396356021.db2.gz PHWNLYOVXRVKEA-XFWSIPNHSA-N 1 0 307.316 0.558 10 0 DCAERO Cc1ccn(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c(=O)c1 ZINC000285896134 396360855 /nfs/dbraw/zinc/36/08/55/396360855.db2.gz SOFHDDMOCNRIJB-KGLIPLIRSA-N 1 0 305.378 0.088 10 0 DCAERO C/C=C/C[C@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187051514 396362343 /nfs/dbraw/zinc/36/23/43/396362343.db2.gz BQGMTEBTCSCHFQ-NHZBNJEXSA-N 1 0 318.421 0.890 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000187354192 396367995 /nfs/dbraw/zinc/36/79/95/396367995.db2.gz DLPMRPDNXPPNKW-GFCCVEGCSA-N 1 0 310.402 0.035 10 0 DCAERO Cc1nnc([C@@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2)[nH]1 ZINC000187657046 396372226 /nfs/dbraw/zinc/37/22/26/396372226.db2.gz DZQGXZKIVDXHFR-OLZOCXBDSA-N 1 0 301.350 0.307 10 0 DCAERO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188615354 396383618 /nfs/dbraw/zinc/38/36/18/396383618.db2.gz VOCFZBFTCRWMGO-SNVBAGLBSA-N 1 0 322.438 0.795 10 0 DCAERO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1CCO ZINC000188756669 396385799 /nfs/dbraw/zinc/38/57/99/396385799.db2.gz IDLOULGGJUYNBI-GFCCVEGCSA-N 1 0 306.410 0.817 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188793799 396386687 /nfs/dbraw/zinc/38/66/87/396386687.db2.gz XHQLUVYWTXMJAK-NSHDSACASA-N 1 0 315.381 0.474 10 0 DCAERO O=C(CNC(=O)NCc1ccco1)N1CC[NH+]2CCC1CC2 ZINC000188863108 396388029 /nfs/dbraw/zinc/38/80/29/396388029.db2.gz KTWWINJJDZQNBO-UHFFFAOYSA-N 1 0 306.366 0.385 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000189326036 396393443 /nfs/dbraw/zinc/39/34/43/396393443.db2.gz CTOZHJGXRHWBCV-DVOMOZLQSA-N 1 0 317.389 0.564 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c(C)n1 ZINC000189779875 396398896 /nfs/dbraw/zinc/39/88/96/396398896.db2.gz DRZCGLJNQWSRTI-UHFFFAOYSA-N 1 0 318.377 0.644 10 0 DCAERO O=C(NC1CN(C(=O)NCCC[NH+]2CCCCC2)C1)C1CC1 ZINC000190047885 396402154 /nfs/dbraw/zinc/40/21/54/396402154.db2.gz JQDPZDUZXCXWFG-UHFFFAOYSA-N 1 0 308.426 0.782 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)nn1C ZINC000190349395 396405006 /nfs/dbraw/zinc/40/50/06/396405006.db2.gz JQJGRUPVVPGHTA-CHWSQXEVSA-N 1 0 319.409 0.752 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000190406240 396405708 /nfs/dbraw/zinc/40/57/08/396405708.db2.gz WUKDFQDYRXDCAL-LBPRGKRZSA-N 1 0 308.426 0.638 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[C@H](CO)C2)C1 ZINC000190535820 396407761 /nfs/dbraw/zinc/40/77/61/396407761.db2.gz FKOHMGUGLVMQSU-ILXRZTDVSA-N 1 0 313.442 0.613 10 0 DCAERO CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000286148125 396377447 /nfs/dbraw/zinc/37/74/47/396377447.db2.gz KZZKBOQVYXWOOB-IUODEOHRSA-N 1 0 319.405 0.755 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370210 396548721 /nfs/dbraw/zinc/54/87/21/396548721.db2.gz MWSGYLYVYDVGAX-WMLDXEAASA-N 1 0 322.453 0.141 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000531342458 396593798 /nfs/dbraw/zinc/59/37/98/396593798.db2.gz WMTWSCVRRUJQFI-QGZVFWFLSA-N 1 0 323.437 0.570 10 0 DCAERO COc1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)ccc1F ZINC000374086188 396638349 /nfs/dbraw/zinc/63/83/49/396638349.db2.gz GVAJVMXSUXJBHB-SECBINFHSA-N 1 0 304.343 0.183 10 0 DCAERO CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(C)C ZINC000617503236 396740966 /nfs/dbraw/zinc/74/09/66/396740966.db2.gz AJPRVJJVLMJWPM-DZGCQCFKSA-N 1 0 314.474 0.535 10 0 DCAERO COC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328629789 396827248 /nfs/dbraw/zinc/82/72/48/396827248.db2.gz IQUHZDSQNYYGNB-SOUVJXGZSA-N 1 0 312.389 0.328 10 0 DCAERO COCC[NH2+]CC(=O)N1CCCC[C@H]1Cn1nc(C)nc1C ZINC000375879779 396839269 /nfs/dbraw/zinc/83/92/69/396839269.db2.gz JHDGJVUDXKOFFH-AWEZNQCLSA-N 1 0 309.414 0.512 10 0 DCAERO C[NH2+]CCOCCN(C)Cc1c(Br)cnn1C ZINC000629653797 396815428 /nfs/dbraw/zinc/81/54/28/396815428.db2.gz NUBOMDJMANPMJE-UHFFFAOYSA-N 1 0 305.220 0.850 10 0 DCAERO CN1CCO[C@H](C[N@H+](C)C[C@@H](O)COCc2ccccc2)C1 ZINC000591910957 397033078 /nfs/dbraw/zinc/03/30/78/397033078.db2.gz LGQDZUQXUAIDSD-SJORKVTESA-N 1 0 308.422 0.827 10 0 DCAERO OC1(C[NH+]2CCN(c3ccc4nncn4n3)CC2)CCCC1 ZINC000407950991 397334093 /nfs/dbraw/zinc/33/40/93/397334093.db2.gz NLWGODQBBKPNCM-UHFFFAOYSA-N 1 0 302.382 0.551 10 0 DCAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000599103929 397336665 /nfs/dbraw/zinc/33/66/65/397336665.db2.gz VKCSCPMOZONESX-DTWKUNHWSA-N 1 0 318.420 0.954 10 0 DCAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cccc1S(N)(=O)=O ZINC000407982238 397342742 /nfs/dbraw/zinc/34/27/42/397342742.db2.gz XCLLSBOKUUYMOJ-LBPRGKRZSA-N 1 0 323.418 0.563 10 0 DCAERO CNS(=O)(=O)CCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000408254357 397351312 /nfs/dbraw/zinc/35/13/12/397351312.db2.gz DBAZSNALYPTNFK-KGLIPLIRSA-N 1 0 303.472 0.873 10 0 DCAERO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC000459709339 397434861 /nfs/dbraw/zinc/43/48/61/397434861.db2.gz KQKHIWCIOUZEDM-GFCCVEGCSA-N 1 0 324.768 0.869 10 0 DCAERO C[NH+](C)CCOCCNC(=O)N1CCSC[C@@H]1CCO ZINC000471650155 397451712 /nfs/dbraw/zinc/45/17/12/397451712.db2.gz SPHJOHOAZWVAFB-LBPRGKRZSA-N 1 0 305.444 0.074 10 0 DCAERO Cc1nc2c(nccc2C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000366683253 397389238 /nfs/dbraw/zinc/38/92/38/397389238.db2.gz RPYHRCFWMBKYCT-NEPJUHHUSA-N 1 0 315.377 0.859 10 0 DCAERO C[C@@H]1COCCN1CC[NH2+]Cc1c(Br)cnn1C ZINC000487288252 397468716 /nfs/dbraw/zinc/46/87/16/397468716.db2.gz MIVXIZNMGSMBLB-SNVBAGLBSA-N 1 0 317.231 0.993 10 0 DCAERO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc(-c2ccncc2)n1 ZINC000599948334 397550152 /nfs/dbraw/zinc/55/01/52/397550152.db2.gz AZOVQYJBFIZEQM-HNNXBMFYSA-N 1 0 312.421 0.927 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371243232 397562455 /nfs/dbraw/zinc/56/24/55/397562455.db2.gz JIZVKYLFLCKLJC-BFHYXJOUSA-N 1 0 311.451 0.898 10 0 DCAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000608784498 397755525 /nfs/dbraw/zinc/75/55/25/397755525.db2.gz BECOSQJFMWKCCL-KKUMJFAQSA-N 1 0 315.410 0.961 10 0 DCAERO CN(CC[NH2+]Cc1cncnc1)S(=O)(=O)c1cccs1 ZINC000158282522 545855684 /nfs/dbraw/zinc/85/56/84/545855684.db2.gz GIVXKFFVQKYZRG-UHFFFAOYSA-N 1 0 312.420 0.948 10 0 DCAERO CO[C@H]1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000252779232 286060248 /nfs/dbraw/zinc/06/02/48/286060248.db2.gz RRQJUHRNRYIYKW-STQMWFEESA-N 1 0 305.444 0.401 10 0 DCAERO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1(C)C ZINC000163643151 286242965 /nfs/dbraw/zinc/24/29/65/286242965.db2.gz TYTXQXIYEWAGDN-IJLUTSLNSA-N 1 0 320.455 0.410 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CO)C2CCCC2)C1 ZINC000352675320 286609725 /nfs/dbraw/zinc/60/97/25/286609725.db2.gz FVDYVLXSWGKZEN-TZMCWYRMSA-N 1 0 304.456 0.799 10 0 DCAERO O=C(CCC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000058911528 158026740 /nfs/dbraw/zinc/02/67/40/158026740.db2.gz OIAIVEMMGPBFHU-UHFFFAOYSA-N 1 0 323.437 0.712 10 0 DCAERO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000079060048 158077221 /nfs/dbraw/zinc/07/72/21/158077221.db2.gz IQRNLHZBEYJILT-LBPRGKRZSA-N 1 0 306.410 0.629 10 0 DCAERO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000089962707 158100280 /nfs/dbraw/zinc/10/02/80/158100280.db2.gz BBSDBXSITHLWEL-HZPDHXFCSA-N 1 0 312.373 0.842 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000090004291 158101168 /nfs/dbraw/zinc/10/11/68/158101168.db2.gz PCKHMILPZLIXOK-AWEZNQCLSA-N 1 0 320.437 0.970 10 0 DCAERO CCOC(=O)CC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701145 158120485 /nfs/dbraw/zinc/12/04/85/158120485.db2.gz ACDZSSCWLKVKOQ-LBPRGKRZSA-N 1 0 306.428 0.543 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000093886159 158123073 /nfs/dbraw/zinc/12/30/73/158123073.db2.gz VECWIRAHOQGNGL-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000105876452 158130854 /nfs/dbraw/zinc/13/08/54/158130854.db2.gz SPUCYEOQKTWYGL-UHFFFAOYSA-N 1 0 304.394 0.824 10 0 DCAERO CCNC(=O)CC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867577 158130954 /nfs/dbraw/zinc/13/09/54/158130954.db2.gz HNLCWKWAEAWVEM-UHFFFAOYSA-N 1 0 321.425 0.981 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886137 158132199 /nfs/dbraw/zinc/13/21/99/158132199.db2.gz ZNHJONXZNCWSQT-GFCCVEGCSA-N 1 0 307.398 0.829 10 0 DCAERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000105887074 158132530 /nfs/dbraw/zinc/13/25/30/158132530.db2.gz ZBFAFRYYKXWMEJ-UHFFFAOYSA-N 1 0 306.410 0.844 10 0 DCAERO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCOCC1 ZINC000106891610 158133498 /nfs/dbraw/zinc/13/34/98/158133498.db2.gz FHHJMEVWGFAOTO-GFCCVEGCSA-N 1 0 303.428 0.170 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCn2cncn2)CC1 ZINC000107281903 158135010 /nfs/dbraw/zinc/13/50/10/158135010.db2.gz ABVWFQNBQZBDSA-OAHLLOKOSA-N 1 0 320.441 0.297 10 0 DCAERO C[NH+](C)C[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCO1 ZINC000109321039 158136565 /nfs/dbraw/zinc/13/65/65/158136565.db2.gz FLGWWSXBVUSZIO-GFCCVEGCSA-N 1 0 302.382 0.769 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)[nH]n2)CC1=O ZINC000113418144 158147966 /nfs/dbraw/zinc/14/79/66/158147966.db2.gz CHARXWQLEGFODI-CHWSQXEVSA-N 1 0 319.409 0.989 10 0 DCAERO COCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414246 158153268 /nfs/dbraw/zinc/15/32/68/158153268.db2.gz IORZFJUQWGYCCD-UHFFFAOYSA-N 1 0 306.410 0.828 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000114911994 158158979 /nfs/dbraw/zinc/15/89/79/158158979.db2.gz XBVAXKLJJGEQIJ-LBPRGKRZSA-N 1 0 306.414 0.549 10 0 DCAERO CNC(=O)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116522662 158165783 /nfs/dbraw/zinc/16/57/83/158165783.db2.gz UOEJBRLDUHVTSO-OCCSQVGLSA-N 1 0 319.409 0.337 10 0 DCAERO CC[C@@H]1CN(C(=O)CCCCNC(N)=O)CC[N@@H+]1CCOC ZINC000117299739 158170863 /nfs/dbraw/zinc/17/08/63/158170863.db2.gz LVXZDHWXUOSOIE-CYBMUJFWSA-N 1 0 314.430 0.394 10 0 DCAERO COCCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000117480078 158171774 /nfs/dbraw/zinc/17/17/74/158171774.db2.gz VWHIIGYVPOOJGX-GJZGRUSLSA-N 1 0 324.469 0.833 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)NCc2cccs2)CC1 ZINC000118857041 158179648 /nfs/dbraw/zinc/17/96/48/158179648.db2.gz NHXGJXLVDBOHJJ-CYBMUJFWSA-N 1 0 311.451 0.753 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000118771095 158180089 /nfs/dbraw/zinc/18/00/89/158180089.db2.gz BGXGUNIRTOBMPH-LBPRGKRZSA-N 1 0 307.460 0.505 10 0 DCAERO 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/nfs/dbraw/zinc/30/01/47/158300147.db2.gz JMPSUQNTNBYVEK-CYBMUJFWSA-N 1 0 300.399 0.899 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000132397735 158310233 /nfs/dbraw/zinc/31/02/33/158310233.db2.gz SCVUYVSJNLQOGO-ZDUSSCGKSA-N 1 0 300.428 0.886 10 0 DCAERO CC[N@H+](C)CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000132492981 158311020 /nfs/dbraw/zinc/31/10/20/158311020.db2.gz DDJYPOIMANOWPN-UHFFFAOYSA-N 1 0 316.427 0.465 10 0 DCAERO Cc1noc([C@@H](C)N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)n1 ZINC000168123210 158370732 /nfs/dbraw/zinc/37/07/32/158370732.db2.gz ZXMBOLFNBQHOGV-QMTHXVAHSA-N 1 0 311.361 0.285 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000168130046 158371132 /nfs/dbraw/zinc/37/11/32/158371132.db2.gz MAEOIHXVQOCKIE-XQQFMLRXSA-N 1 0 321.425 0.965 10 0 DCAERO C[C@@H](O)CN1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000167980009 158371477 /nfs/dbraw/zinc/37/14/77/158371477.db2.gz MKTZSDXIMWRGJG-UONOGXRCSA-N 1 0 317.433 0.396 10 0 DCAERO COc1cccc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171627234 158384800 /nfs/dbraw/zinc/38/48/00/158384800.db2.gz CLRFIKHHWSWNID-CQSZACIVSA-N 1 0 317.389 0.732 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000172542781 158395976 /nfs/dbraw/zinc/39/59/76/158395976.db2.gz FPEWWLHQGVUPPK-HNNXBMFYSA-N 1 0 308.470 0.709 10 0 DCAERO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172561664 158396005 /nfs/dbraw/zinc/39/60/05/158396005.db2.gz MRRHQCDFOCBCLT-UHFFFAOYSA-N 1 0 303.322 0.353 10 0 DCAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000177880115 158451859 /nfs/dbraw/zinc/45/18/59/158451859.db2.gz XJJHQOUVUZNMFD-CHWSQXEVSA-N 1 0 306.414 0.576 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)c2cn(CC3(C)COC3)nn2)CC[N@@H+]1C ZINC000184944669 158512666 /nfs/dbraw/zinc/51/26/66/158512666.db2.gz JXOKHCUQZCFBSV-QWHCGFSZSA-N 1 0 321.425 0.869 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC(=O)OCc2ccccc2)C1 ZINC000187881538 158541025 /nfs/dbraw/zinc/54/10/25/158541025.db2.gz 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ZINC000262357850 158803481 /nfs/dbraw/zinc/80/34/81/158803481.db2.gz UXUFPOLTIODBDP-WFASDCNBSA-N 1 0 306.362 0.355 10 0 DCAERO COc1cccc(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000329045725 159055022 /nfs/dbraw/zinc/05/50/22/159055022.db2.gz UTLKKSQQWDJLRJ-UONOGXRCSA-N 1 0 305.378 0.564 10 0 DCAERO C[C@@H]1CN(C(=O)Cc2ccon2)CCN1C1CC[NH+](C)CC1 ZINC000329116816 159064130 /nfs/dbraw/zinc/06/41/30/159064130.db2.gz UFTWHQOHPHZRPM-CYBMUJFWSA-N 1 0 306.410 0.844 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000329416162 159090531 /nfs/dbraw/zinc/09/05/31/159090531.db2.gz FPLRYYAFGSTFTG-QJPTWQEYSA-N 1 0 309.439 0.848 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)nc(C)n2)CC1 ZINC000329690752 159113076 /nfs/dbraw/zinc/11/30/76/159113076.db2.gz WEMLHZUIEGVQST-ZDUSSCGKSA-N 1 0 305.426 0.849 10 0 DCAERO CN(C)c1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(=O)[nH]1 ZINC000329820915 159121930 /nfs/dbraw/zinc/12/19/30/159121930.db2.gz PQDSPMSYXLUJNP-LBPRGKRZSA-N 1 0 319.409 0.949 10 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/nfs/dbraw/zinc/00/28/44/160002844.db2.gz FZXBLZWWALASBS-DGCLKSJQSA-N 1 0 308.426 0.993 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C(F)(F)F ZINC000408047284 160022335 /nfs/dbraw/zinc/02/23/35/160022335.db2.gz GAMVODBZTLYDAV-STQMWFEESA-N 1 0 324.343 0.749 10 0 DCAERO Cc1nnc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1C ZINC000408074254 160030013 /nfs/dbraw/zinc/03/00/13/160030013.db2.gz ZHRRUEPZWOQRQP-MNOVXSKESA-N 1 0 301.416 0.074 10 0 DCAERO COC(=O)c1cnc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000408079433 160030700 /nfs/dbraw/zinc/03/07/00/160030700.db2.gz JCNJBEUBUIRAFL-GHMZBOCLSA-N 1 0 304.350 0.572 10 0 DCAERO O=C(CC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)N1CCOCC1 ZINC000408190413 160055926 /nfs/dbraw/zinc/05/59/26/160055926.db2.gz YFSPRWCUUYUVHJ-LBPRGKRZSA-N 1 0 310.316 0.625 10 0 DCAERO C[NH+](C)CC1(C(=O)N2CCN(C(=O)CO)CC2)CCCCC1 ZINC000408223415 160063192 /nfs/dbraw/zinc/06/31/92/160063192.db2.gz JPTCETRIWYRZNB-UHFFFAOYSA-N 1 0 311.426 0.162 10 0 DCAERO CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230178 160064475 /nfs/dbraw/zinc/06/44/75/160064475.db2.gz DAEFEKLBZDPNGV-ZYHUDNBSSA-N 1 0 303.353 0.558 10 0 DCAERO CCn1nccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000408290684 160077431 /nfs/dbraw/zinc/07/74/31/160077431.db2.gz KVDWMWJPPKKLFC-RYUDHWBXSA-N 1 0 300.428 0.864 10 0 DCAERO CCCNS(=O)(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000408363768 160092339 /nfs/dbraw/zinc/09/23/39/160092339.db2.gz ZRSHGXPUGUZXRP-STQMWFEESA-N 1 0 305.444 0.416 10 0 DCAERO CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000408380201 160095818 /nfs/dbraw/zinc/09/58/18/160095818.db2.gz VHPYTTJZFXKBSR-BNOWGMLFSA-N 1 0 308.426 0.779 10 0 DCAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000408380668 160095834 /nfs/dbraw/zinc/09/58/34/160095834.db2.gz BQFYQMIJFLGIQC-OLZOCXBDSA-N 1 0 317.455 0.449 10 0 DCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc(C(N)=O)co3)[C@@H]2C1 ZINC000408381881 160095972 /nfs/dbraw/zinc/09/59/72/160095972.db2.gz ALKMFWSRPUFIOQ-GXFFZTMASA-N 1 0 306.366 0.614 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408421340 160104359 /nfs/dbraw/zinc/10/43/59/160104359.db2.gz IOWWKVQAECSZOM-RWMBFGLXSA-N 1 0 307.460 0.660 10 0 DCAERO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)N2CCCC2)CC1 ZINC000408433864 160106793 /nfs/dbraw/zinc/10/67/93/160106793.db2.gz NZWKEDBDUSSMMJ-CYBMUJFWSA-N 1 0 305.444 0.009 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000035225019 286884899 /nfs/dbraw/zinc/88/48/99/286884899.db2.gz ZMEXUTHFMZJFCT-ZWNOBZJWSA-N 1 0 311.407 0.653 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC000131471593 287000807 /nfs/dbraw/zinc/00/08/07/287000807.db2.gz BYQAGMNBYXGEDZ-AWEZNQCLSA-N 1 0 313.442 0.454 10 0 DCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000132701576 287006708 /nfs/dbraw/zinc/00/67/08/287006708.db2.gz JPUIIHVOCSGPBC-FRRDWIJNSA-N 1 0 314.430 0.127 10 0 DCAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000045066460 287026572 /nfs/dbraw/zinc/02/65/72/287026572.db2.gz FVDMQDUHJGLILH-SNVBAGLBSA-N 1 0 320.436 0.419 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H](C)CC(=O)OC)CC[N@@H+]1CCOC ZINC000150727370 287030357 /nfs/dbraw/zinc/03/03/57/287030357.db2.gz AFKGPCLCWUZHNB-QWHCGFSZSA-N 1 0 300.399 0.755 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC1(O)CCCC1 ZINC000151975608 287037524 /nfs/dbraw/zinc/03/75/24/287037524.db2.gz ACIRCEKUKVDAIN-LBPRGKRZSA-N 1 0 311.426 0.349 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000152412099 287041441 /nfs/dbraw/zinc/04/14/41/287041441.db2.gz SYVPPBUJFDHONE-ZDUSSCGKSA-N 1 0 319.409 0.928 10 0 DCAERO Cn1cc(-c2ncc(C(=O)NC[C@@](C)(O)C[NH+](C)C)s2)cn1 ZINC000153345052 287049552 /nfs/dbraw/zinc/04/95/52/287049552.db2.gz AWGNDCTXLLQRJO-CQSZACIVSA-N 1 0 323.422 0.586 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCn1ccnn1 ZINC000193655611 287061107 /nfs/dbraw/zinc/06/11/07/287061107.db2.gz JCLHDIZEEOVXSX-OAHLLOKOSA-N 1 0 301.394 0.957 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000193385690 287060510 /nfs/dbraw/zinc/06/05/10/287060510.db2.gz GPHSLNRNMJFACG-UHFFFAOYSA-N 1 0 323.418 0.586 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000245856657 287073660 /nfs/dbraw/zinc/07/36/60/287073660.db2.gz OQUJZCIEQYXAFA-RQJABVFESA-N 1 0 300.399 0.129 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)CO1 ZINC000246034860 287075458 /nfs/dbraw/zinc/07/54/58/287075458.db2.gz ARXGADUBBHEDSV-REWJHTLYSA-N 1 0 319.471 0.755 10 0 DCAERO C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246391564 287082827 /nfs/dbraw/zinc/08/28/27/287082827.db2.gz SMNMFIPDDIFQQC-JHJVBQTASA-N 1 0 321.487 0.906 10 0 DCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246417627 287083080 /nfs/dbraw/zinc/08/30/80/287083080.db2.gz JPUIIHVOCSGPBC-RWMBFGLXSA-N 1 0 314.430 0.127 10 0 DCAERO 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/nfs/dbraw/zinc/09/90/81/287099081.db2.gz FKESLMLGUIDWRN-HRCADAONSA-N 1 0 302.459 0.941 10 0 DCAERO C[C@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)[C@H]1CO ZINC000248868058 287102222 /nfs/dbraw/zinc/10/22/22/287102222.db2.gz BEDWQDMBMBFWKU-YOEHRIQHSA-N 1 0 317.433 0.868 10 0 DCAERO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245660614 685157817 /nfs/dbraw/zinc/15/78/17/685157817.db2.gz PPULRKPXXZUBMR-OLZOCXBDSA-N 1 0 319.471 0.791 10 0 DCAERO CC[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174612652 287134294 /nfs/dbraw/zinc/13/42/94/287134294.db2.gz OHYFPSSSLZRESD-CHWSQXEVSA-N 1 0 313.442 0.452 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329245453 287228046 /nfs/dbraw/zinc/22/80/46/287228046.db2.gz AFDBGSBOIDJPNS-BARDWOONSA-N 1 0 323.437 0.707 10 0 DCAERO C[C@@H](C(=O)NCCC[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000038706153 415195214 /nfs/dbraw/zinc/19/52/14/415195214.db2.gz IDAJZAJAWMCSQU-NSHDSACASA-N 1 0 303.362 0.739 10 0 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COc1ccc(C(=O)NCC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000115163312 415724208 /nfs/dbraw/zinc/72/42/08/415724208.db2.gz XMBYBLGACGQGGK-CYBMUJFWSA-N 1 0 319.405 0.835 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000114975803 415725663 /nfs/dbraw/zinc/72/56/63/415725663.db2.gz VEDHMAIZADNSKS-OLZOCXBDSA-N 1 0 320.441 0.891 10 0 DCAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000116343479 415727793 /nfs/dbraw/zinc/72/77/93/415727793.db2.gz WMASNDDVKYMGSM-CABCVRRESA-N 1 0 308.426 0.958 10 0 DCAERO C[C@@H]1NC(=O)N(CC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)C1=O ZINC000333900847 415760146 /nfs/dbraw/zinc/76/01/46/415760146.db2.gz SQRMTFCDUCWQSX-NWANDNLSSA-N 1 0 316.405 0.962 10 0 DCAERO CC(C)[N@H+](C)CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000119824101 415752230 /nfs/dbraw/zinc/75/22/30/415752230.db2.gz IJFKSAJXOSOJND-UHFFFAOYSA-N 1 0 305.444 0.545 10 0 DCAERO C[C@@H](CNC(=O)CCc1ccnn1C)C[NH+]1CCN(C)CC1 ZINC000120138886 415757907 /nfs/dbraw/zinc/75/79/07/415757907.db2.gz LIMLIMGVHBQISH-AWEZNQCLSA-N 1 0 307.442 0.352 10 0 DCAERO C[C@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000333880736 415758762 /nfs/dbraw/zinc/75/87/62/415758762.db2.gz DKHARHQYOILKLX-DOMZBBRYSA-N 1 0 309.389 0.576 10 0 DCAERO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000123725318 415842587 /nfs/dbraw/zinc/84/25/87/415842587.db2.gz SKDCLVLCEZEELB-HZSPNIEDSA-N 1 0 310.442 0.125 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1 ZINC000334117484 415810359 /nfs/dbraw/zinc/81/03/59/415810359.db2.gz IJBCDWBLLJZVJJ-ZIAGYGMSSA-N 1 0 320.441 0.512 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC000121619987 415812809 /nfs/dbraw/zinc/81/28/09/415812809.db2.gz ODFWJZGJADEBJH-QWHCGFSZSA-N 1 0 304.394 0.823 10 0 DCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)C1 ZINC000334130407 415814256 /nfs/dbraw/zinc/81/42/56/415814256.db2.gz TWELQRXHTKGVAY-GOEBONIOSA-N 1 0 321.425 0.771 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000125830636 415871526 /nfs/dbraw/zinc/87/15/26/415871526.db2.gz ZUOCDWKOJNYKPC-NWDGAFQWSA-N 1 0 305.444 0.545 10 0 DCAERO CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000131884154 415929295 /nfs/dbraw/zinc/92/92/95/415929295.db2.gz LJFUKIZHCBAIEP-LBPRGKRZSA-N 1 0 311.407 0.841 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNc2cncc(OCCO)n2)CC1 ZINC000133154357 415940196 /nfs/dbraw/zinc/94/01/96/415940196.db2.gz OZUINUKJDDUYFW-ZDUSSCGKSA-N 1 0 309.414 0.286 10 0 DCAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000153295264 415979158 /nfs/dbraw/zinc/97/91/58/415979158.db2.gz ASTNGOQMOADEIS-CYBMUJFWSA-N 1 0 305.378 0.419 10 0 DCAERO CN(C(=O)Cn1cnc2ccccc2c1=O)[C@H]1CCC[N@H+](C)C1 ZINC000153822745 415987546 /nfs/dbraw/zinc/98/75/46/415987546.db2.gz JJYXBAVVNSFBPJ-ZDUSSCGKSA-N 1 0 314.389 0.949 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC[C@H]21 ZINC000155780503 415996219 /nfs/dbraw/zinc/99/62/19/415996219.db2.gz MUFGIBPWGZKCQI-NWDGAFQWSA-N 1 0 322.409 0.260 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000158312483 416000007 /nfs/dbraw/zinc/00/00/07/416000007.db2.gz WKFMYGBRAOYAKG-ZJUUUORDSA-N 1 0 324.347 0.693 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)CC[N@@H+]1CCOC ZINC000172326539 416045312 /nfs/dbraw/zinc/04/53/12/416045312.db2.gz YAXOHRXCXJKPKV-QWHCGFSZSA-N 1 0 314.430 0.215 10 0 DCAERO Cc1cc(N2CC[C@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000173702686 416063756 /nfs/dbraw/zinc/06/37/56/416063756.db2.gz DOCINZLLLLYMGC-KGLIPLIRSA-N 1 0 303.410 0.614 10 0 DCAERO CC(C)CC(=O)NCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174294122 416076615 /nfs/dbraw/zinc/07/66/15/416076615.db2.gz LWGBZYVXPABWTA-UONOGXRCSA-N 1 0 313.442 0.452 10 0 DCAERO [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 ZINC000159001084 416005068 /nfs/dbraw/zinc/00/50/68/416005068.db2.gz LJLGRRKSIIGRRM-HOTGVXAUSA-N 1 0 315.417 0.931 10 0 DCAERO O=C(CN1CCN(c2cccnn2)CC1)NCc1ccccc1 ZINC000170650747 416027853 /nfs/dbraw/zinc/02/78/53/416027853.db2.gz RHNAHFDXZKDBFV-UHFFFAOYSA-N 1 0 311.389 0.915 10 0 DCAERO COC(=O)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000426869949 287323327 /nfs/dbraw/zinc/32/33/27/287323327.db2.gz XQDGLGMLXRRPFH-OAHLLOKOSA-N 1 0 323.437 0.757 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000170843777 416033461 /nfs/dbraw/zinc/03/34/61/416033461.db2.gz WAOLYDPZMDDEOH-JTQLQIEISA-N 1 0 322.340 0.026 10 0 DCAERO CC(C)[C@@H](CNc1cncc(C(N)=O)n1)[NH+]1CCN(C)CC1 ZINC000301575580 416086048 /nfs/dbraw/zinc/08/60/48/416086048.db2.gz MDTCPMRGFYPGLU-CYBMUJFWSA-N 1 0 306.414 0.259 10 0 DCAERO CN1CCO[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000174880641 416091193 /nfs/dbraw/zinc/09/11/93/416091193.db2.gz IEWMRQVSNQSPOH-HNNXBMFYSA-N 1 0 309.385 0.834 10 0 DCAERO CC(C)[C@@H](NC(N)=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000174988610 416092095 /nfs/dbraw/zinc/09/20/95/416092095.db2.gz LVDYZGLGWBGWNE-CYBMUJFWSA-N 1 0 312.414 0.003 10 0 DCAERO COCCN1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@@H]1C ZINC000174955239 416092128 /nfs/dbraw/zinc/09/21/28/416092128.db2.gz AGHDXLAJJIUYID-JTQLQIEISA-N 1 0 313.427 0.384 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000175166856 416099283 /nfs/dbraw/zinc/09/92/83/416099283.db2.gz PLMAPJRYVCHHLY-QWHCGFSZSA-N 1 0 314.430 0.298 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCCCN1CCCC1=O ZINC000175344440 416104373 /nfs/dbraw/zinc/10/43/73/416104373.db2.gz XCPMYKYTWCMPOT-OAHLLOKOSA-N 1 0 324.469 0.531 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000175959981 416116159 /nfs/dbraw/zinc/11/61/59/416116159.db2.gz OEGQPHBLWHPLGL-KGLIPLIRSA-N 1 0 301.431 0.805 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCOCC1 ZINC000176395965 416126368 /nfs/dbraw/zinc/12/63/68/416126368.db2.gz NPZXNVIKAPZZDX-OAGGEKHMSA-N 1 0 324.469 0.975 10 0 DCAERO Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cnn1C ZINC000176587624 416130313 /nfs/dbraw/zinc/13/03/13/416130313.db2.gz UXCMGGGSAWCUPU-LBPRGKRZSA-N 1 0 309.414 0.760 10 0 DCAERO CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176625482 416131634 /nfs/dbraw/zinc/13/16/34/416131634.db2.gz UHTOVSNVGGKKSO-ZDUSSCGKSA-N 1 0 319.471 0.458 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000176897227 416136263 /nfs/dbraw/zinc/13/62/63/416136263.db2.gz BNXLXGCCLDCSIE-GFCCVEGCSA-N 1 0 307.398 0.610 10 0 DCAERO Cc1ccn(-c2ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)nn2)n1 ZINC000328992896 416143384 /nfs/dbraw/zinc/14/33/84/416143384.db2.gz SVULCLLKKMEDHL-KGLIPLIRSA-N 1 0 314.393 0.880 10 0 DCAERO COC(=O)[C@]1(C)CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000177471242 416146383 /nfs/dbraw/zinc/14/63/83/416146383.db2.gz VMBZWNKRMPPMRZ-GXTWGEPZSA-N 1 0 318.439 0.543 10 0 DCAERO C[C@@H](CNC(=O)NC[C@]1(CCO)CCOC1)C[NH+]1CCCC1 ZINC000177599017 416147470 /nfs/dbraw/zinc/14/74/70/416147470.db2.gz JLZMCEXQAIJGMY-HOCLYGCPSA-N 1 0 313.442 0.807 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000177713384 416151101 /nfs/dbraw/zinc/15/11/01/416151101.db2.gz CZURLHIIRRWHKP-DZGCQCFKSA-N 1 0 324.469 0.515 10 0 DCAERO CC(C)N1CCC[C@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1=O ZINC000329158273 416153886 /nfs/dbraw/zinc/15/38/86/416153886.db2.gz DKKRARQKUYLNND-RWMBFGLXSA-N 1 0 300.424 0.505 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174623983 416081111 /nfs/dbraw/zinc/08/11/11/416081111.db2.gz QOSAQYNZSOTZQM-ZDUSSCGKSA-N 1 0 310.402 0.203 10 0 DCAERO CCn1c(C)nnc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000178733799 416170886 /nfs/dbraw/zinc/17/08/86/416170886.db2.gz DFCSJPNSGJRGLX-AWEZNQCLSA-N 1 0 320.441 0.345 10 0 DCAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178885897 416176327 /nfs/dbraw/zinc/17/63/27/416176327.db2.gz JQIYZADTWYLSQZ-HUUCEWRRSA-N 1 0 319.453 0.933 10 0 DCAERO COC(=O)Cn1cc(CCN2CCC[N@@H+](C3CC3)CC2)nn1 ZINC000178926152 416177309 /nfs/dbraw/zinc/17/73/09/416177309.db2.gz UMSLHUMOSAEETI-UHFFFAOYSA-N 1 0 307.398 0.164 10 0 DCAERO COc1ccnc(N2CCC(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)n1 ZINC000179569470 416191327 /nfs/dbraw/zinc/19/13/27/416191327.db2.gz KUSFDUPZLUYVQD-CYBMUJFWSA-N 1 0 319.409 0.555 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358121099 416196880 /nfs/dbraw/zinc/19/68/80/416196880.db2.gz KYGAGXWLVBPGMG-STQMWFEESA-N 1 0 300.447 0.735 10 0 DCAERO Cn1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000181506167 416208008 /nfs/dbraw/zinc/20/80/08/416208008.db2.gz ZCLWYBFSEFDDNJ-OAHLLOKOSA-N 1 0 306.410 0.676 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358198504 416211030 /nfs/dbraw/zinc/21/10/30/416211030.db2.gz NIMBEQMDYKYLMS-CYBMUJFWSA-N 1 0 318.826 0.993 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000358269773 416219206 /nfs/dbraw/zinc/21/92/06/416219206.db2.gz DFMDTSPJPQGBOX-GJZGRUSLSA-N 1 0 310.442 0.587 10 0 DCAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000178186438 416159475 /nfs/dbraw/zinc/15/94/75/416159475.db2.gz PULICBAJDDYVKK-AWEZNQCLSA-N 1 0 311.426 0.426 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000178323162 416160561 /nfs/dbraw/zinc/16/05/61/416160561.db2.gz AMKRADWKIQRDCQ-ZDUSSCGKSA-N 1 0 319.409 0.651 10 0 DCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000178291744 416161074 /nfs/dbraw/zinc/16/10/74/416161074.db2.gz DBDIAMAAZIOYIQ-HNNXBMFYSA-N 1 0 306.410 0.905 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329362686 416164640 /nfs/dbraw/zinc/16/46/40/416164640.db2.gz HKHCUHWZZUWTHS-BLLLJJGKSA-N 1 0 322.409 0.606 10 0 DCAERO COC(=O)c1coc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000183635219 416248195 /nfs/dbraw/zinc/24/81/95/416248195.db2.gz SIUILCVPTAIAOB-NSHDSACASA-N 1 0 309.366 0.432 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000190325582 416278011 /nfs/dbraw/zinc/27/80/11/416278011.db2.gz OSEDRIMHJISFNC-MELADBBJSA-N 1 0 303.447 0.736 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184370075 416251505 /nfs/dbraw/zinc/25/15/05/416251505.db2.gz ADJADYLVNCVHLI-HIFRSBDPSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H](CNC(=O)NCc1cc(C(N)=O)co1)C[NH+]1CCCC1 ZINC000190340181 416278529 /nfs/dbraw/zinc/27/85/29/416278529.db2.gz RXOUGVWLJDRBMK-NSHDSACASA-N 1 0 308.382 0.910 10 0 DCAERO CNC(=O)[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C(C)C ZINC000183241886 416238887 /nfs/dbraw/zinc/23/88/87/416238887.db2.gz LQQDJGAUWVPTCK-CQSZACIVSA-N 1 0 322.409 0.522 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000193918990 416321362 /nfs/dbraw/zinc/32/13/62/416321362.db2.gz XXRWPYREEGWDEY-MCIONIFRSA-N 1 0 310.442 0.931 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC(N)=O)C[C@H](c2ccc(F)cc2)O1 ZINC000248846364 416333799 /nfs/dbraw/zinc/33/37/99/416333799.db2.gz HYMMMOOLVMQJFJ-DDTOSNHZSA-N 1 0 323.368 0.707 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C[C@H]1C ZINC000248667489 416334020 /nfs/dbraw/zinc/33/40/20/416334020.db2.gz XAYQCRWZDZZXDI-AGIUHOORSA-N 1 0 322.413 0.210 10 0 DCAERO CC[NH+]1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000263652602 416338817 /nfs/dbraw/zinc/33/88/17/416338817.db2.gz CQIIQDDRNNNYKI-UHFFFAOYSA-N 1 0 318.425 0.793 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH3+])c(Cl)c1 ZINC000195300335 416325818 /nfs/dbraw/zinc/32/58/18/416325818.db2.gz DUEVPYGUXFNISU-ZETCQYMHSA-N 1 0 306.771 0.752 10 0 DCAERO O=C(Cn1c(=O)cnc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195312301 416325829 /nfs/dbraw/zinc/32/58/29/416325829.db2.gz JKRBFGBWLHZIGR-ZDUSSCGKSA-N 1 0 312.373 0.703 10 0 DCAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]1C ZINC000359807069 416359327 /nfs/dbraw/zinc/35/93/27/416359327.db2.gz RHNYCCNRPUOIEN-GXFFZTMASA-N 1 0 314.455 0.996 10 0 DCAERO CCC[N@H+](C)CC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000360993121 416418563 /nfs/dbraw/zinc/41/85/63/416418563.db2.gz VKUMCNRZTBSAJE-UHFFFAOYSA-N 1 0 306.410 0.876 10 0 DCAERO CCc1csc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000434578503 416487002 /nfs/dbraw/zinc/48/70/02/416487002.db2.gz 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ZINC000631960061 416832676 /nfs/dbraw/zinc/83/26/76/416832676.db2.gz HQFWPQVSJVBXFP-UPJWGTAASA-N 1 0 305.444 0.544 10 0 DCAERO COC[C@H](C)S(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000631964879 416834548 /nfs/dbraw/zinc/83/45/48/416834548.db2.gz OCYFBCFXNSHHRH-GXTWGEPZSA-N 1 0 300.424 0.901 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(C)c1F ZINC000624397265 417030027 /nfs/dbraw/zinc/03/00/27/417030027.db2.gz VBAMGWIKWJMYRO-UHFFFAOYSA-N 1 0 304.387 0.991 10 0 DCAERO C(CN1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221760 416984309 /nfs/dbraw/zinc/98/43/09/416984309.db2.gz HOOSDDQQJUAGTN-MSOLQXFVSA-N 1 0 323.481 0.940 10 0 DCAERO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000447397155 416998417 /nfs/dbraw/zinc/99/84/17/416998417.db2.gz YXIPFNDDMVRTHV-GRYCIOLGSA-N 1 0 315.332 0.646 10 0 DCAERO COCCOCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253206997 292582694 /nfs/dbraw/zinc/58/26/94/292582694.db2.gz GUADBEBTSLTFLV-YWPYICTPSA-N 1 0 300.399 0.298 10 0 DCAERO 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ZINC000299748702 229391061 /nfs/dbraw/zinc/39/10/61/229391061.db2.gz HWXAVYFMAFUMRQ-OAHLLOKOSA-N 1 0 303.362 0.495 10 0 DCAERO NC(=O)c1c[nH+]ccc1N1CCC(c2ccnn2CCO)CC1 ZINC000302042351 230058464 /nfs/dbraw/zinc/05/84/64/230058464.db2.gz SBIJGDJMXHSOFG-UHFFFAOYSA-N 1 0 315.377 0.753 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000179158118 261111717 /nfs/dbraw/zinc/11/17/17/261111717.db2.gz MJYLBMZLCOARNW-CABCVRRESA-N 1 0 310.442 0.587 10 0 DCAERO CNC(=O)[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1OC)C(C)C ZINC000183677463 261116509 /nfs/dbraw/zinc/11/65/09/261116509.db2.gz USOUEYUIUIGHEB-ZBFHGGJFSA-N 1 0 324.421 0.933 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000189203337 261130998 /nfs/dbraw/zinc/13/09/98/261130998.db2.gz ITUFOAYTFRGVNY-HIFRSBDPSA-N 1 0 313.442 0.900 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357867503 261595044 /nfs/dbraw/zinc/59/50/44/261595044.db2.gz VMGXYDHVAZWLLL-ZIAGYGMSSA-N 1 0 310.442 0.981 10 0 DCAERO 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300.362 0.894 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc2ncnn21 ZINC000547436533 288045773 /nfs/dbraw/zinc/04/57/73/288045773.db2.gz FHDHQUJDWXSXLV-ZDUSSCGKSA-N 1 0 316.409 0.485 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000261712110 278841132 /nfs/dbraw/zinc/84/11/32/278841132.db2.gz VIJYCUPPTJOXJW-UONOGXRCSA-N 1 0 311.426 0.662 10 0 DCAERO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000262509343 278844683 /nfs/dbraw/zinc/84/46/83/278844683.db2.gz MUPYAWDDJIICGA-JKSUJKDBSA-N 1 0 303.406 0.928 10 0 DCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175867978 279136338 /nfs/dbraw/zinc/13/63/38/279136338.db2.gz DEPSZRYZCVRKFO-QWHCGFSZSA-N 1 0 322.413 0.393 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)NCc2cccnc2)CC1 ZINC000174074976 280207098 /nfs/dbraw/zinc/20/70/98/280207098.db2.gz VBIBKHBDTWIVFD-OAHLLOKOSA-N 1 0 306.410 0.086 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000173264625 288231378 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C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333755067 289790492 /nfs/dbraw/zinc/79/04/92/289790492.db2.gz KJGSXVSRNBYCDV-WUHRBBMRSA-N 1 0 308.386 0.129 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000263256300 290062923 /nfs/dbraw/zinc/06/29/23/290062923.db2.gz QNMXWXQUIARXAE-LBPRGKRZSA-N 1 0 322.390 0.716 10 0 DCAERO Cn1cc(N2CCC[C@@H](N3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261815359 294245689 /nfs/dbraw/zinc/24/56/89/294245689.db2.gz XIELCCVSYNTXEF-KGLIPLIRSA-N 1 0 305.426 0.975 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C[C@@H]12 ZINC000248596850 295320933 /nfs/dbraw/zinc/32/09/33/295320933.db2.gz IHICUDSZSCPOQE-NMFUWQPSSA-N 1 0 300.358 0.964 10 0 DCAERO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CCOCC1 ZINC000408441336 298050911 /nfs/dbraw/zinc/05/09/11/298050911.db2.gz HJTHROUFYHGGEJ-ZIAGYGMSSA-N 1 0 313.442 0.011 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000186798882 300001951 /nfs/dbraw/zinc/00/19/51/300001951.db2.gz JAFLZVMEHGSQLJ-WCQYABFASA-N 1 0 302.440 0.848 10 0 DCAERO COCCN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000188047322 333019128 /nfs/dbraw/zinc/01/91/28/333019128.db2.gz WKQMSXFJAWRTTJ-LLVKDONJSA-N 1 0 303.366 0.751 10 0 DCAERO COC[C@@H](C)C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000188154096 333038124 /nfs/dbraw/zinc/03/81/24/333038124.db2.gz HVWDMVIUSQLCCK-QWRGUYRKSA-N 1 0 307.437 0.755 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@]1(C)C[NH3+] ZINC000388345113 333276059 /nfs/dbraw/zinc/27/60/59/333276059.db2.gz ZDAYYZIUCKQLSR-LDYMZIIASA-N 1 0 306.819 0.679 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105823587 519892923 /nfs/dbraw/zinc/89/29/23/519892923.db2.gz NTNLKPZWPNGRJN-KFWWJZLASA-N 1 0 315.458 0.305 10 0 DCAERO CC1(C)C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCO1 ZINC000158360053 520549582 /nfs/dbraw/zinc/54/95/82/520549582.db2.gz NZHYDXOBCIZPPK-CQSZACIVSA-N 1 0 313.442 0.948 10 0 DCAERO CC[NH+](CC)CCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000191482561 520607336 /nfs/dbraw/zinc/60/73/36/520607336.db2.gz QGODYDBGAMMELN-UHFFFAOYSA-N 1 0 317.441 0.978 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000236955082 520721511 /nfs/dbraw/zinc/72/15/11/520721511.db2.gz BPCQUFAUQNVMLI-NXEZZACHSA-N 1 0 320.436 0.126 10 0 DCAERO CCNC(=O)C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000131293333 521732308 /nfs/dbraw/zinc/73/23/08/521732308.db2.gz VVLGESAYXAZMFR-ZDUSSCGKSA-N 1 0 308.426 0.804 10 0 DCAERO CN1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)CCC1=O ZINC000131012621 521804941 /nfs/dbraw/zinc/80/49/41/521804941.db2.gz NRSGOPRCWLSFOY-ZDUSSCGKSA-N 1 0 319.405 0.978 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000247507064 522205990 /nfs/dbraw/zinc/20/59/90/522205990.db2.gz MFLDMHDWQPTZRV-SOUVJXGZSA-N 1 0 313.442 0.011 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000132567740 522525564 /nfs/dbraw/zinc/52/55/64/522525564.db2.gz NRIZZQJGFJZYRP-DZGCQCFKSA-N 1 0 301.358 0.943 10 0 DCAERO CCn1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn1 ZINC000128655019 523407298 /nfs/dbraw/zinc/40/72/98/523407298.db2.gz HOSBWAXRPMHYGX-LBPRGKRZSA-N 1 0 309.414 0.934 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000124284263 523409345 /nfs/dbraw/zinc/40/93/45/523409345.db2.gz IYKRHYZDOOONQK-NEPJUHHUSA-N 1 0 323.397 0.906 10 0 DCAERO COCCN(C)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cn1 ZINC000191146470 523636008 /nfs/dbraw/zinc/63/60/08/523636008.db2.gz SUCDXQOSRJHRQH-AWEZNQCLSA-N 1 0 306.410 0.875 10 0 DCAERO CO[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365090427 523698466 /nfs/dbraw/zinc/69/84/66/523698466.db2.gz RADPFIWAZDDWED-BZUAXINKSA-N 1 0 324.469 0.975 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000237128061 523883981 /nfs/dbraw/zinc/88/39/81/523883981.db2.gz CFTODYUMQLJAOC-HABKJSAYSA-N 1 0 309.410 0.223 10 0 DCAERO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000131869249 523897453 /nfs/dbraw/zinc/89/74/53/523897453.db2.gz HPWUKUKBEUAERT-CYBMUJFWSA-N 1 0 305.426 0.583 10 0 DCAERO COc1ccc(CNC(=O)C[N@H+](C)C2(CO)CCOCC2)cc1 ZINC000191026147 524049563 /nfs/dbraw/zinc/04/95/63/524049563.db2.gz UPGGTORDSPKWSC-UHFFFAOYSA-N 1 0 322.405 0.785 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnn2c1CCCC2 ZINC000127379075 524346830 /nfs/dbraw/zinc/34/68/30/524346830.db2.gz VXDPONWQOQLAEB-CYBMUJFWSA-N 1 0 305.426 0.585 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)C[C@@H]1[NH+](C)C ZINC000270969810 524751714 /nfs/dbraw/zinc/75/17/14/524751714.db2.gz ZXBYQUKNQWSEFN-MFKMUULPSA-N 1 0 319.409 0.256 10 0 DCAERO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](C)CO ZINC000246934851 525189127 /nfs/dbraw/zinc/18/91/27/525189127.db2.gz DVKLKQGSXBCOQB-MGPQQGTHSA-N 1 0 313.442 0.803 10 0 DCAERO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cccc1S(N)(=O)=O ZINC000157394508 525585440 /nfs/dbraw/zinc/58/54/40/525585440.db2.gz NOZYSOWEQQAKGL-UHFFFAOYSA-N 1 0 311.407 0.466 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247174140 526015959 /nfs/dbraw/zinc/01/59/59/526015959.db2.gz KVBBIHCUBBYSDK-WOPDTQHZSA-N 1 0 309.439 0.991 10 0 DCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000262566765 526506185 /nfs/dbraw/zinc/50/61/85/526506185.db2.gz YBLJNBIDHLIPCN-AAEUAGOBSA-N 1 0 311.332 0.336 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2nnc3ccccn32)cn1 ZINC000262078557 527322110 /nfs/dbraw/zinc/32/21/10/527322110.db2.gz CGHHMBJGXPZPDW-NEPJUHHUSA-N 1 0 311.349 0.405 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000246580955 527365247 /nfs/dbraw/zinc/36/52/47/527365247.db2.gz VNNFBTFKXZXXKN-GMTAPVOTSA-N 1 0 314.332 0.948 10 0 DCAERO OCC[NH2+]C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000034925837 527554997 /nfs/dbraw/zinc/55/49/97/527554997.db2.gz STQBROSPWZJUJJ-VIFPVBQESA-N 1 0 303.284 0.998 10 0 DCAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246247368 527656729 /nfs/dbraw/zinc/65/67/29/527656729.db2.gz OZXGFVLMUIJEBC-PWSUYJOCSA-N 1 0 313.316 0.542 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC2(CO)CC2)C1 ZINC000186841287 528017500 /nfs/dbraw/zinc/01/75/00/528017500.db2.gz QOBFGJJTDNTWON-CQSZACIVSA-N 1 0 313.442 0.757 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCOC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000186892038 529367111 /nfs/dbraw/zinc/36/71/11/529367111.db2.gz GKJIVCAXDOXFBY-ZIAGYGMSSA-N 1 0 301.431 0.898 10 0 DCAERO CCCc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n2ncnc2n1 ZINC000285112460 535399275 /nfs/dbraw/zinc/39/92/75/535399275.db2.gz RAEIONHWTUXPMX-KGLIPLIRSA-N 1 0 316.409 0.986 10 0 DCAERO CC1(OCC(=O)Nc2ccccc2SCC(N)=O)C[NH2+]C1 ZINC000098060566 545729565 /nfs/dbraw/zinc/72/95/65/545729565.db2.gz LHGZLKNXTXAEMT-UHFFFAOYSA-N 1 0 309.391 0.581 10 0 DCAERO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136354014 545806819 /nfs/dbraw/zinc/80/68/19/545806819.db2.gz QXYPBBVJFNQGCP-JTQLQIEISA-N 1 0 315.395 0.655 10 0 DCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000148565788 545809103 /nfs/dbraw/zinc/80/91/03/545809103.db2.gz ARGFNDUFUQAMFS-VXGBXAGGSA-N 1 0 305.444 0.290 10 0 DCAERO O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697742 545891678 /nfs/dbraw/zinc/89/16/78/545891678.db2.gz GKVVNJJNMYBGIH-ZDUSSCGKSA-N 1 0 315.377 0.599 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000177922429 545892593 /nfs/dbraw/zinc/89/25/93/545892593.db2.gz WHBOKEPHXXBYDV-ZDUSSCGKSA-N 1 0 305.382 0.394 10 0 DCAERO C[NH+]1CCN(CCCNC(=O)c2cn3ccnc3s2)CC1 ZINC000188228600 545916768 /nfs/dbraw/zinc/91/67/68/545916768.db2.gz KIYCGRVUOXLAMM-UHFFFAOYSA-N 1 0 307.423 0.763 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000225343593 545942779 /nfs/dbraw/zinc/94/27/79/545942779.db2.gz INDNMGPICHTHAL-KBPBESRZSA-N 1 0 304.456 0.752 10 0 DCAERO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249156040 545970962 /nfs/dbraw/zinc/97/09/62/545970962.db2.gz YRRLMPHEYSPDNE-UONOGXRCSA-N 1 0 304.456 0.941 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccn1Cc1cccs1 ZINC000262092716 545978240 /nfs/dbraw/zinc/97/82/40/545978240.db2.gz DDLKZJCJEUCSSB-FZMZJTMJSA-N 1 0 305.403 0.908 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000262065592 545978495 /nfs/dbraw/zinc/97/84/95/545978495.db2.gz BGAIMCKXZBIRTK-KCJUWKMLSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(Cc1csc(-c2cccnc2)n1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262112734 545979230 /nfs/dbraw/zinc/97/92/30/545979230.db2.gz FKVLZACPPVCBMW-WCQYABFASA-N 1 0 318.402 0.444 10 0 DCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1nccs1 ZINC000262236984 545981357 /nfs/dbraw/zinc/98/13/57/545981357.db2.gz KQLBUJIGLIDQFW-YPMHNXCESA-N 1 0 320.418 0.861 10 0 DCAERO O=C(Cc1ccccc1Br)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262283908 545982478 /nfs/dbraw/zinc/98/24/78/545982478.db2.gz OCBHGMFTIHAAAR-JQWIXIFHSA-N 1 0 313.195 0.688 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccn(-c2c(F)cccc2F)n1 ZINC000262282458 545983022 /nfs/dbraw/zinc/98/30/22/545983022.db2.gz NZIPPBHGQGZJSN-NOZJJQNGSA-N 1 0 322.315 0.461 10 0 DCAERO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262344854 545983566 /nfs/dbraw/zinc/98/35/66/545983566.db2.gz TZPWMMFBCQCOIV-CMPLNLGQSA-N 1 0 321.402 0.951 10 0 DCAERO Cc1cc(OC(F)F)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262356475 545984534 /nfs/dbraw/zinc/98/45/34/545984534.db2.gz UUFALBGGNDLROU-SFYZADRCSA-N 1 0 306.334 0.968 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000262375442 545984795 /nfs/dbraw/zinc/98/47/95/545984795.db2.gz WNFLIVRQKNPAEH-HZMBPMFUSA-N 1 0 304.325 0.322 10 0 DCAERO CCC(=O)c1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262376877 545985601 /nfs/dbraw/zinc/98/56/01/545985601.db2.gz WRCCQGRGFPQXKM-WFASDCNBSA-N 1 0 306.362 0.355 10 0 DCAERO CN(C(=O)Nc1ncc(C(F)(F)F)s1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333303512 546077049 /nfs/dbraw/zinc/07/70/49/546077049.db2.gz KOOXQQIEQZFFSW-WDSKDSINSA-N 1 0 310.301 0.958 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000333677156 546088891 /nfs/dbraw/zinc/08/88/91/546088891.db2.gz OERFKZBXTDPSFJ-FPCVCCKLSA-N 1 0 324.469 0.737 10 0 DCAERO COC(=O)C[C@@H](NS(=O)(=O)C1C[NH2+]C1)c1cccs1 ZINC000722294232 660687759 /nfs/dbraw/zinc/68/77/59/660687759.db2.gz DFAAKHAKMVHJMR-SECBINFHSA-N 1 0 304.393 0.244 10 0 DCAERO C[C@@](O)(C[NH2+]CCCS(C)(=O)=O)C(F)(F)C(F)(F)F ZINC000724116783 657987835 /nfs/dbraw/zinc/98/78/35/657987835.db2.gz ZMDYFQFSJLTJHT-SSDOTTSWSA-N 1 0 313.288 0.959 10 0 DCAERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000725031596 658038010 /nfs/dbraw/zinc/03/80/10/658038010.db2.gz AQLYVDSAUGUADA-UHFFFAOYSA-N 1 0 322.818 0.202 10 0 DCAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000888077589 658721056 /nfs/dbraw/zinc/72/10/56/658721056.db2.gz KHSHOEHRBOLLBE-CQSZACIVSA-N 1 0 324.816 0.735 10 0 DCAERO CCn1cc(CC[N@@H+]2CCC[C@@](O)(Cc3nncn3C)C2)cn1 ZINC000888077432 658721164 /nfs/dbraw/zinc/72/11/64/658721164.db2.gz BBOHREYVMJFQAE-MRXNPFEDSA-N 1 0 318.425 0.644 10 0 DCAERO C[C@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1CCO ZINC000187723214 659315473 /nfs/dbraw/zinc/31/54/73/659315473.db2.gz OWUNVNIJGUVHKB-LBPRGKRZSA-N 1 0 318.373 0.997 10 0 DCAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@H]([NH3+])C3CCOCC3)C2)no1 ZINC000261815891 661721961 /nfs/dbraw/zinc/72/19/61/661721961.db2.gz PCVXOFPQBOOYGH-IUODEOHRSA-N 1 0 322.409 0.913 10 0 DCAERO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000261957709 661927130 /nfs/dbraw/zinc/92/71/30/661927130.db2.gz AGZNQBPDDWCKCT-ABAIWWIYSA-N 1 0 305.378 0.761 10 0 DCAERO [NH3+]C1CCC(NC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000262009658 661959955 /nfs/dbraw/zinc/95/99/55/661959955.db2.gz SYGOEDRWLOWGHT-UHFFFAOYSA-N 1 0 300.362 0.783 10 0 DCAERO Cn1cc([C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)cn1 ZINC000896409254 662268797 /nfs/dbraw/zinc/26/87/97/662268797.db2.gz JMVVTXALOAELME-ZDUSSCGKSA-N 1 0 318.421 0.847 10 0 DCAERO Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]n1 ZINC000897088631 662389475 /nfs/dbraw/zinc/38/94/75/662389475.db2.gz QTHNZJMJBQMAEA-JQWIXIFHSA-N 1 0 316.365 0.612 10 0 DCAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000721871451 662734853 /nfs/dbraw/zinc/73/48/53/662734853.db2.gz JOZFHWNFWPRBGR-JTQLQIEISA-N 1 0 312.420 0.968 10 0 DCAERO O=C(NC[C@@H]1CCc2nccn2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897466861 662763215 /nfs/dbraw/zinc/76/32/15/662763215.db2.gz DFWXQLAWGLSRTQ-JSGCOSHPSA-N 1 0 304.394 0.282 10 0 DCAERO O=C(N1CCC[C@@](O)(Cn2ccnn2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897700892 662921736 /nfs/dbraw/zinc/92/17/36/662921736.db2.gz SKPQNESEFWFFKC-HOTGVXAUSA-N 1 0 319.409 0.118 10 0 DCAERO NC(=O)[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C(F)(F)F ZINC000897996257 662933783 /nfs/dbraw/zinc/93/37/83/662933783.db2.gz ODQNVLOTPHZTMV-BREBYQMCSA-N 1 0 319.327 0.595 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435464206 663198452 /nfs/dbraw/zinc/19/84/52/663198452.db2.gz POZVXILYTQSTRS-UHFFFAOYSA-N 1 0 305.382 0.964 10 0 DCAERO O=S(=O)(CC[NH2+]C[C@H](O)CC1CCCC1)N1CCCC1 ZINC000721888416 663490731 /nfs/dbraw/zinc/49/07/31/663490731.db2.gz BFWOSSLDJYWJPA-CQSZACIVSA-N 1 0 304.456 0.943 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855423 663648763 /nfs/dbraw/zinc/64/87/63/663648763.db2.gz IVQSGYYMJNEERH-RYUDHWBXSA-N 1 0 303.428 0.140 10 0 DCAERO C/C=C/[C@H](O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000908108490 663734091 /nfs/dbraw/zinc/73/40/91/663734091.db2.gz WUEFJRIEYOPHFI-IJEGDMIUSA-N 1 0 306.410 0.856 10 0 DCAERO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000908195532 663741477 /nfs/dbraw/zinc/74/14/77/663741477.db2.gz QPXFZASYEFYJDS-RZLSGREXSA-N 1 0 324.446 0.738 10 0 DCAERO C[C@@H]1CN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CCO1 ZINC000171605103 664610577 /nfs/dbraw/zinc/61/05/77/664610577.db2.gz FFLWTWBFTIDIGT-CQSZACIVSA-N 1 0 306.410 0.842 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C1CCOCC1 ZINC000088969789 664699565 /nfs/dbraw/zinc/69/95/65/664699565.db2.gz JQTUNTUVCXXGPM-ZDUSSCGKSA-N 1 0 305.444 0.416 10 0 DCAERO CCCC1N=NC(=S)N1CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000730935741 664828952 /nfs/dbraw/zinc/82/89/52/664828952.db2.gz HATHOZOVFWRZCL-LLVKDONJSA-N 1 0 311.455 0.977 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000359355148 666274954 /nfs/dbraw/zinc/27/49/54/666274954.db2.gz YZYRULWYYRFCMV-ZIAGYGMSSA-N 1 0 311.451 0.995 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424072947 666297905 /nfs/dbraw/zinc/29/79/05/666297905.db2.gz GYYOYPRNBDVZLQ-OCCSQVGLSA-N 1 0 305.403 0.824 10 0 DCAERO CN(C)c1ncc(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1C ZINC000862498101 667046675 /nfs/dbraw/zinc/04/66/75/667046675.db2.gz VWQCUWCSAULMNO-KGLIPLIRSA-N 1 0 318.429 0.065 10 0 DCAERO CCN(CC(=O)OC)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000707264214 667437238 /nfs/dbraw/zinc/43/72/38/667437238.db2.gz CPONGPRKUDUPMI-CQSZACIVSA-N 1 0 307.394 0.467 10 0 DCAERO 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/nfs/dbraw/zinc/08/57/24/299085724.db2.gz BWASTTOAUHHSJW-GJZGRUSLSA-N 1 0 324.469 0.881 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181423324 199294468 /nfs/dbraw/zinc/29/44/68/199294468.db2.gz DETLBFMBHSETQG-GFCCVEGCSA-N 1 0 324.429 0.415 10 0 DCAERO CN(C)c1nc(CN2CC[C@H](C[NH+]3CCOCC3)C2)ns1 ZINC000163767192 529802523 /nfs/dbraw/zinc/80/25/23/529802523.db2.gz UMVPANVVGWLBHT-GFCCVEGCSA-N 1 0 311.455 0.758 10 0 DCAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181635216 199330398 /nfs/dbraw/zinc/33/03/98/199330398.db2.gz UAEHZCNVGGGNLS-NWDGAFQWSA-N 1 0 304.394 0.858 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cn1 ZINC000181647338 199331846 /nfs/dbraw/zinc/33/18/46/199331846.db2.gz OHNJMCVUBXDPHC-ZDUSSCGKSA-N 1 0 322.413 0.433 10 0 DCAERO C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@@H]1COc2ccccc2O1 ZINC000171883161 529959420 /nfs/dbraw/zinc/95/94/20/529959420.db2.gz XBJGKSUBUJSWMM-UONOGXRCSA-N 1 0 320.389 0.742 10 0 DCAERO 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/nfs/dbraw/zinc/37/72/67/199377267.db2.gz JTCGQUBCGWLOTR-BXUZGUMPSA-N 1 0 308.426 0.873 10 0 DCAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000181867699 186212688 /nfs/dbraw/zinc/21/26/88/186212688.db2.gz YSSXVIRDOWMOOA-NSHDSACASA-N 1 0 316.365 0.893 10 0 DCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000171900875 198004088 /nfs/dbraw/zinc/00/40/88/198004088.db2.gz UJSOTIANZQXVMC-AWEZNQCLSA-N 1 0 317.393 0.301 10 0 DCAERO OC[C@H]1CCCN1c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000171939306 198011789 /nfs/dbraw/zinc/01/17/89/198011789.db2.gz NFAYIHXTBPBEGG-ZIAGYGMSSA-N 1 0 303.410 0.722 10 0 DCAERO Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000172598130 198120940 /nfs/dbraw/zinc/12/09/40/198120940.db2.gz OTDXKSHGFHZTCW-JSGCOSHPSA-N 1 0 323.441 0.936 10 0 DCAERO CCn1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1=O ZINC000173235923 198198756 /nfs/dbraw/zinc/19/87/56/198198756.db2.gz HJCNFANZLKDLAG-CHWSQXEVSA-N 1 0 322.409 0.787 10 0 DCAERO 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/nfs/dbraw/zinc/68/60/30/395686030.db2.gz MWGQPTOIOUCLHL-UHFFFAOYSA-N 1 0 318.377 0.936 10 0 DCAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000016339801 395690267 /nfs/dbraw/zinc/69/02/67/395690267.db2.gz NPGAEFXXNPPRES-NSHDSACASA-N 1 0 312.414 0.409 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccn(C)c1=O ZINC000086446511 395703955 /nfs/dbraw/zinc/70/39/55/395703955.db2.gz GKCJZNIRYDDDDV-NSHDSACASA-N 1 0 308.382 0.170 10 0 DCAERO COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000088768543 395707874 /nfs/dbraw/zinc/70/78/74/395707874.db2.gz AECWXGQPWVKPMZ-LBPRGKRZSA-N 1 0 323.459 0.292 10 0 DCAERO Cc1cccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000036284303 395722806 /nfs/dbraw/zinc/72/28/06/395722806.db2.gz BLOKXSAMLSGRLL-UHFFFAOYSA-N 1 0 311.407 0.047 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000028966922 395696806 /nfs/dbraw/zinc/69/68/06/395696806.db2.gz XGWZEPIHJAOHII-CQSZACIVSA-N 1 0 322.453 0.271 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCN1CCOCC1 ZINC000105125022 395780377 /nfs/dbraw/zinc/78/03/77/395780377.db2.gz UDYWWXRZMJJDDY-CQSZACIVSA-N 1 0 300.447 0.690 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000101955399 395767937 /nfs/dbraw/zinc/76/79/37/395767937.db2.gz OWKSLNAXTHEXJD-UHFFFAOYSA-N 1 0 307.394 0.881 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193635750 395775581 /nfs/dbraw/zinc/77/55/81/395775581.db2.gz MPCUXNGJSRUIHW-MJBXVCDLSA-N 1 0 311.426 0.184 10 0 DCAERO Cn1cc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000111241404 395805026 /nfs/dbraw/zinc/80/50/26/395805026.db2.gz FDFNIHRMMQREGQ-UHFFFAOYSA-N 1 0 319.453 0.796 10 0 DCAERO CCCNC(=O)CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111836154 395814767 /nfs/dbraw/zinc/81/47/67/395814767.db2.gz RIELRBZAMKHRPH-ZDUSSCGKSA-N 1 0 314.430 0.313 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000195089270 395816138 /nfs/dbraw/zinc/81/61/38/395816138.db2.gz 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395846316 /nfs/dbraw/zinc/84/63/16/395846316.db2.gz PVVOCUXZKQIOSP-GFCCVEGCSA-N 1 0 303.366 0.371 10 0 DCAERO Cc1ccc(-n2nnnc2N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000108951623 395795253 /nfs/dbraw/zinc/79/52/53/395795253.db2.gz YXYSTBOQCCTTOS-CQSZACIVSA-N 1 0 302.382 0.738 10 0 DCAERO COCCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054307739 395896900 /nfs/dbraw/zinc/89/69/00/395896900.db2.gz BFJSCXVSIMLKFD-QWHCGFSZSA-N 1 0 318.439 0.038 10 0 DCAERO CC(=O)N[C@H](CC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000236724340 395897047 /nfs/dbraw/zinc/89/70/47/395897047.db2.gz UXKKXFRSTBTZBY-MRXNPFEDSA-N 1 0 318.421 0.275 10 0 DCAERO CCN(CC)C(=O)[C@H]1CCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236800411 395899194 /nfs/dbraw/zinc/89/91/94/395899194.db2.gz VMVAAGSWJDAQGZ-CHWSQXEVSA-N 1 0 313.467 0.941 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237136210 395903680 /nfs/dbraw/zinc/90/36/80/395903680.db2.gz QZMKPBPFDNGUTR-LBPRGKRZSA-N 1 0 312.391 0.797 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000128589387 395918408 /nfs/dbraw/zinc/91/84/08/395918408.db2.gz UUYYDEHMXLQFLV-UHFFFAOYSA-N 1 0 307.398 0.597 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)n(C)c1=O ZINC000273462117 395923005 /nfs/dbraw/zinc/92/30/05/395923005.db2.gz ZSUJKKGBVFLYSN-CHWSQXEVSA-N 1 0 309.410 0.313 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000245394779 395927638 /nfs/dbraw/zinc/92/76/38/395927638.db2.gz GMINGVYCGNMMKN-OLZOCXBDSA-N 1 0 306.414 0.685 10 0 DCAERO CCCS(=O)(=O)NC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000120188740 395881439 /nfs/dbraw/zinc/88/14/39/395881439.db2.gz NUXKBDIOCZSPAZ-ZDUSSCGKSA-N 1 0 317.455 0.449 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000230852164 395882400 /nfs/dbraw/zinc/88/24/00/395882400.db2.gz QKLABLUPDLQDGN-BDAKNGLRSA-N 1 0 306.819 0.821 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCOCC1 ZINC000245889631 395937716 /nfs/dbraw/zinc/93/77/16/395937716.db2.gz 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ZINC000246791156 395958259 /nfs/dbraw/zinc/95/82/59/395958259.db2.gz AJUVFWXCGBQNSP-UMVBOHGHSA-N 1 0 306.410 0.893 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC000246941237 395961762 /nfs/dbraw/zinc/96/17/62/395961762.db2.gz WVBUTTAIEOPBRV-MJBXVCDLSA-N 1 0 309.410 0.211 10 0 DCAERO Cn1cc(CN2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)cn1 ZINC000247064609 395965223 /nfs/dbraw/zinc/96/52/23/395965223.db2.gz GCOMOEKTBRILMA-MRXNPFEDSA-N 1 0 318.425 0.185 10 0 DCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000247259581 395970615 /nfs/dbraw/zinc/97/06/15/395970615.db2.gz AZVKCWWFIUSPQI-LSDHHAIUSA-N 1 0 312.458 0.689 10 0 DCAERO CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000150776745 395972375 /nfs/dbraw/zinc/97/23/75/395972375.db2.gz CAPXLTZLOMAGJH-HUUCEWRRSA-N 1 0 300.362 0.554 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCS[C@H]2COCC[C@H]21 ZINC000248974094 396001000 /nfs/dbraw/zinc/00/10/00/396001000.db2.gz QEPMSGWHRYGWNL-OLZOCXBDSA-N 1 0 320.480 0.618 10 0 DCAERO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247974334 395981117 /nfs/dbraw/zinc/98/11/17/395981117.db2.gz GDPRKDORWJBTFY-OCCSQVGLSA-N 1 0 311.407 0.097 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC1 ZINC000248392387 395986157 /nfs/dbraw/zinc/98/61/57/395986157.db2.gz KMDVTFDSPMAAFO-IUODEOHRSA-N 1 0 301.390 0.902 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000248423093 395987201 /nfs/dbraw/zinc/98/72/01/395987201.db2.gz YYMHPDPQXQXOQR-RYUDHWBXSA-N 1 0 320.397 0.018 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2noc(C3CCOCC3)n2)[C@H](C)C1 ZINC000248810144 395997412 /nfs/dbraw/zinc/99/74/12/395997412.db2.gz BYRLTBKDVYEUDF-OLZOCXBDSA-N 1 0 324.425 0.851 10 0 DCAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252646381 396023297 /nfs/dbraw/zinc/02/32/97/396023297.db2.gz GKAPNZIOYZZYFA-OLZOCXBDSA-N 1 0 317.455 0.211 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261575808 396047670 /nfs/dbraw/zinc/04/76/70/396047670.db2.gz BTRQQAUVJAQWSH-SCZZXKLOSA-N 1 0 304.803 0.446 10 0 DCAERO CC(C)S(=O)(=O)CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261642466 396051445 /nfs/dbraw/zinc/05/14/45/396051445.db2.gz CGASFYPYGJERSL-UHFFFAOYSA-N 1 0 312.435 0.840 10 0 DCAERO COc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1C ZINC000261661267 396053548 /nfs/dbraw/zinc/05/35/48/396053548.db2.gz KMSLINHSTQRCOT-UHFFFAOYSA-N 1 0 305.378 0.507 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261666606 396054128 /nfs/dbraw/zinc/05/41/28/396054128.db2.gz KZVAQWUCLMPXFY-AWEZNQCLSA-N 1 0 311.407 0.406 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000155690018 396056407 /nfs/dbraw/zinc/05/64/07/396056407.db2.gz RMEZNBHYWISIBJ-SPLOXXLWSA-N 1 0 315.483 0.384 10 0 DCAERO NC(=O)COc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261736943 396060623 /nfs/dbraw/zinc/06/06/23/396060623.db2.gz IBWHFVKIIRYSGO-OKILXGFUSA-N 1 0 317.389 0.622 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCC(Cn2cccn2)CC1)C1CCOCC1 ZINC000261791849 396066620 /nfs/dbraw/zinc/06/66/20/396066620.db2.gz GPLMNJDHIIJLGR-OAHLLOKOSA-N 1 0 306.410 0.876 10 0 DCAERO CC1CCC(N(C)C(=O)CN(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261795779 396066940 /nfs/dbraw/zinc/06/69/40/396066940.db2.gz UKCNPNPMNRNZJR-UHFFFAOYSA-N 1 0 324.469 0.387 10 0 DCAERO C[C@H](NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000261817030 396068516 /nfs/dbraw/zinc/06/85/16/396068516.db2.gz AKMDHXZSJXDIHT-LBPRGKRZSA-N 1 0 324.450 0.289 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152412065 396009164 /nfs/dbraw/zinc/00/91/64/396009164.db2.gz NOMDOSDJJXUPHJ-ZFWWWQNUSA-N 1 0 305.378 0.518 10 0 DCAERO CC(=O)Nc1ccc(CCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261838332 396070803 /nfs/dbraw/zinc/07/08/03/396070803.db2.gz LNEIIZAAJDDKJK-UHFFFAOYSA-N 1 0 305.378 0.812 10 0 DCAERO CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000252321811 396019266 /nfs/dbraw/zinc/01/92/66/396019266.db2.gz ZBDUAKVJNZUYOH-ZDUSSCGKSA-N 1 0 321.425 0.742 10 0 DCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000262444858 396140956 /nfs/dbraw/zinc/14/09/56/396140956.db2.gz HFXQXIKQNIZTIX-HZSPNIEDSA-N 1 0 303.410 0.950 10 0 DCAERO C[NH2+]CCC1CCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000262040542 396093199 /nfs/dbraw/zinc/09/31/99/396093199.db2.gz LGFUOXJEEKPFBW-UHFFFAOYSA-N 1 0 317.397 0.257 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000070173506 396100727 /nfs/dbraw/zinc/10/07/27/396100727.db2.gz AYZJXUYFLZSRNW-XQHKEYJVSA-N 1 0 305.444 0.400 10 0 DCAERO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262148611 396104298 /nfs/dbraw/zinc/10/42/98/396104298.db2.gz HQLPIYRKBZMCKB-NFAWXSAZSA-N 1 0 317.389 0.274 10 0 DCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)CCO2)c1 ZINC000262161748 396105845 /nfs/dbraw/zinc/10/58/45/396105845.db2.gz XYHOJWFWBQHYPM-LSDHHAIUSA-N 1 0 322.409 0.173 10 0 DCAERO Cc1noc([C@H](C)N2CC[NH+](CCCC(=O)NC(N)=O)CC2)n1 ZINC000171591045 396119364 /nfs/dbraw/zinc/11/93/64/396119364.db2.gz AFELJPZGBXAGOZ-JTQLQIEISA-N 1 0 324.385 0.032 10 0 DCAERO CC[C@H](C)NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000171595182 396119676 /nfs/dbraw/zinc/11/96/76/396119676.db2.gz AVMIBJWYNJTZFI-AWEZNQCLSA-N 1 0 307.442 0.843 10 0 DCAERO O=C(CNC(=O)NCc1ccco1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586747 396119714 /nfs/dbraw/zinc/11/97/14/396119714.db2.gz SURMYXWEWWWQCY-GFCCVEGCSA-N 1 0 306.366 0.385 10 0 DCAERO O=C(CSCC(=O)c1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262294571 396119905 /nfs/dbraw/zinc/11/99/05/396119905.db2.gz OXZKHXOECKCSNL-STQMWFEESA-N 1 0 308.403 0.299 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000262332040 396125519 /nfs/dbraw/zinc/12/55/19/396125519.db2.gz SISAPVXNHMOXRE-IMJJTQAJSA-N 1 0 321.396 0.487 10 0 DCAERO O=C(NCc1nccn1CCc1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262342407 396126898 /nfs/dbraw/zinc/12/68/98/396126898.db2.gz ALOAPKQYIDRJEJ-CABCVRRESA-N 1 0 314.389 0.465 10 0 DCAERO COCC1(C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC[NH2+]CC1 ZINC000262375084 396131915 /nfs/dbraw/zinc/13/19/15/396131915.db2.gz MVDCMCHXQMFTMX-UHFFFAOYSA-N 1 0 318.439 0.038 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CSc2ccccc21 ZINC000262381124 396133591 /nfs/dbraw/zinc/13/35/91/396133591.db2.gz YTAJAZACPXHROO-CYBMUJFWSA-N 1 0 319.430 0.766 10 0 DCAERO C[C@@H]1C[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2C[C@H]2C)CC[NH2+]C1 ZINC000261906407 396077807 /nfs/dbraw/zinc/07/78/07/396077807.db2.gz HBNFNLNQDJRUFG-MNLSVMLLSA-N 1 0 307.438 0.901 10 0 DCAERO [NH3+][C@H](C(=O)NCc1ccc(-n2cncn2)cc1)C1CCOCC1 ZINC000261906758 396078226 /nfs/dbraw/zinc/07/82/26/396078226.db2.gz XBNMOFGVEMTLNW-HNNXBMFYSA-N 1 0 315.377 0.637 10 0 DCAERO C[C@@H]1C[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@H]2C[C@@H]2C)CC[NH2+]C1 ZINC000261906409 396078307 /nfs/dbraw/zinc/07/83/07/396078307.db2.gz HBNFNLNQDJRUFG-QFRSUPTLSA-N 1 0 307.438 0.901 10 0 DCAERO [NH3+][C@@H](C(=O)NCC(=O)Nc1cccc(F)c1)C1CCOCC1 ZINC000261926097 396080531 /nfs/dbraw/zinc/08/05/31/396080531.db2.gz ZEBBKUQEXZZFAF-CQSZACIVSA-N 1 0 309.341 0.634 10 0 DCAERO CCNC(=O)c1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261936262 396080955 /nfs/dbraw/zinc/08/09/55/396080955.db2.gz WWLDJIBOOULOGH-UHFFFAOYSA-N 1 0 305.378 0.560 10 0 DCAERO COc1cccc(N2CC[C@@H](NC(=O)C3([NH3+])CCOCC3)C2)c1 ZINC000261940838 396081781 /nfs/dbraw/zinc/08/17/81/396081781.db2.gz XIDPSNDASBQFIL-CYBMUJFWSA-N 1 0 319.405 0.898 10 0 DCAERO CN1CC[C@@H](C(=O)N2CCNC[C@@H]2c2cccnc2)CC1=O ZINC000261948072 396082521 /nfs/dbraw/zinc/08/25/21/396082521.db2.gz LGTQHJOAFOHIEJ-TZMCWYRMSA-N 1 0 302.378 0.423 10 0 DCAERO CCOC(=O)c1cc(NC(=O)C2(C[NH3+])CCOCC2)cn1C ZINC000261950119 396083434 /nfs/dbraw/zinc/08/34/34/396083434.db2.gz OFJJWKCLSJMRQC-UHFFFAOYSA-N 1 0 309.366 0.896 10 0 DCAERO COc1ccc(NC(=O)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263186078 396205274 /nfs/dbraw/zinc/20/52/74/396205274.db2.gz HJJKSXRDVNFUOF-LBPRGKRZSA-N 1 0 317.349 0.907 10 0 DCAERO CSc1cc2c(cc1CNC[C@@H]1C[NH2+]C[C@H]1O)OCCO2 ZINC000263189742 396205456 /nfs/dbraw/zinc/20/54/56/396205456.db2.gz HQZBSTXWIIHBCW-VXGBXAGGSA-N 1 0 310.419 0.850 10 0 DCAERO CC(=O)NCc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263197106 396205852 /nfs/dbraw/zinc/20/58/52/396205852.db2.gz IOEKIXAFPHWLFH-CQSZACIVSA-N 1 0 315.377 0.949 10 0 DCAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c2cnn(C)c2n1 ZINC000263195663 396206136 /nfs/dbraw/zinc/20/61/36/396206136.db2.gz IJKKRMUXQKBVHX-LBPRGKRZSA-N 1 0 313.365 0.903 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2cc(F)c(F)cc21 ZINC000263240408 396208331 /nfs/dbraw/zinc/20/83/31/396208331.db2.gz LBCABPFCIGPOLA-AWEZNQCLSA-N 1 0 311.332 0.953 10 0 DCAERO CC(=O)N1CCC(CCc2nc([C@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263253627 396209189 /nfs/dbraw/zinc/20/91/89/396209189.db2.gz QECKLEOSAALQBP-CQSZACIVSA-N 1 0 321.425 0.837 10 0 DCAERO CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000176387639 396155019 /nfs/dbraw/zinc/15/50/19/396155019.db2.gz CLSYJNUJFUEJLY-DZGCQCFKSA-N 1 0 304.394 0.621 10 0 DCAERO Cc1cccc(NC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000262567365 396156209 /nfs/dbraw/zinc/15/62/09/396156209.db2.gz WXQGYCGFEFQVLH-MRXNPFEDSA-N 1 0 302.422 0.913 10 0 DCAERO CC[NH+](CC)C[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000074157424 396159283 /nfs/dbraw/zinc/15/92/83/396159283.db2.gz MBTSITDKZUXRQD-GFCCVEGCSA-N 1 0 324.425 0.507 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cnn(-c3cccnc3)c2)n1 ZINC000263265594 396210452 /nfs/dbraw/zinc/21/04/52/396210452.db2.gz RMAYLGAIBBUNOS-CYBMUJFWSA-N 1 0 311.349 0.893 10 0 DCAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C[NH2+]C)C1 ZINC000262634932 396165024 /nfs/dbraw/zinc/16/50/24/396165024.db2.gz OMWWRBOZNKTLOV-SNVBAGLBSA-N 1 0 309.332 0.855 10 0 DCAERO CSC[C@@H](CCO)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262699605 396174149 /nfs/dbraw/zinc/17/41/49/396174149.db2.gz BWBOFLUXGRLKQA-NEPJUHHUSA-N 1 0 312.439 0.651 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000262742320 396177691 /nfs/dbraw/zinc/17/76/91/396177691.db2.gz CSNMHQVPNVMIHA-NXEZZACHSA-N 1 0 316.379 0.733 10 0 DCAERO CCc1ccccc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177675351 396181231 /nfs/dbraw/zinc/18/12/31/396181231.db2.gz VZYGELIOHVXAJG-CQSZACIVSA-N 1 0 319.405 0.977 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc3c2OCC(=O)N3)n1 ZINC000263295450 396212118 /nfs/dbraw/zinc/21/21/18/396212118.db2.gz WFOSEWZHNMTCDK-LLVKDONJSA-N 1 0 315.333 0.644 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000263083799 396200606 /nfs/dbraw/zinc/20/06/06/396200606.db2.gz LTQFJQLDYGCXIS-VWYCJHECSA-N 1 0 310.423 0.962 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000263110264 396201771 /nfs/dbraw/zinc/20/17/71/396201771.db2.gz AFAYTUIIWAVJIJ-NWDGAFQWSA-N 1 0 303.353 0.164 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000263110266 396202068 /nfs/dbraw/zinc/20/20/68/396202068.db2.gz AFAYTUIIWAVJIJ-VXGBXAGGSA-N 1 0 303.353 0.164 10 0 DCAERO CNC(=O)c1cccnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000078250021 396240448 /nfs/dbraw/zinc/24/04/48/396240448.db2.gz UGNJWANUOQREKM-CQSZACIVSA-N 1 0 318.421 0.990 10 0 DCAERO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(-n2ccnn2)cc1 ZINC000182019226 396244976 /nfs/dbraw/zinc/24/49/76/396244976.db2.gz YBTIRYJEZCJCMW-NSHDSACASA-N 1 0 314.349 0.470 10 0 DCAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000182294521 396248507 /nfs/dbraw/zinc/24/85/07/396248507.db2.gz KQIXBXQXJVDDDW-UBHSHLNASA-N 1 0 311.426 0.659 10 0 DCAERO Cc1cnn(CCNC(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000182974152 396257393 /nfs/dbraw/zinc/25/73/93/396257393.db2.gz SZCLYYMIXFWJLF-UHFFFAOYSA-N 1 0 322.457 0.470 10 0 DCAERO c1cn(CCC[NH+]2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000183174795 396263942 /nfs/dbraw/zinc/26/39/42/396263942.db2.gz RTUDGELQCGOGPD-UHFFFAOYSA-N 1 0 312.381 0.533 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282223198 396273836 /nfs/dbraw/zinc/27/38/36/396273836.db2.gz YXEUJCSXDFGHPB-NWDGAFQWSA-N 1 0 319.409 0.982 10 0 DCAERO O[C@H](Cn1cccn1)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183773382 396274807 /nfs/dbraw/zinc/27/48/07/396274807.db2.gz YFHXKGXFQPBVDE-HNNXBMFYSA-N 1 0 301.394 0.851 10 0 DCAERO CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179182485 396224243 /nfs/dbraw/zinc/22/42/43/396224243.db2.gz XSJYBSOWLKPTDY-HZPDHXFCSA-N 1 0 306.406 1.000 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCNC(=O)c1cccnc1 ZINC000077793491 396233476 /nfs/dbraw/zinc/23/34/76/396233476.db2.gz JLGVJJJJZKUAGW-ZDUSSCGKSA-N 1 0 321.425 0.841 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184942788 396311858 /nfs/dbraw/zinc/31/18/58/396311858.db2.gz RQQNUOMWRMSTPG-JSGCOSHPSA-N 1 0 321.425 0.727 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184370056 396292232 /nfs/dbraw/zinc/29/22/32/396292232.db2.gz ADJADYLVNCVHLI-ZFWWWQNUSA-N 1 0 310.442 0.140 10 0 DCAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733041 396303961 /nfs/dbraw/zinc/30/39/61/396303961.db2.gz XMVIRPYZKWLMNZ-NUEKZKHPSA-N 1 0 306.406 0.769 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000184842920 396308690 /nfs/dbraw/zinc/30/86/90/396308690.db2.gz MXZFNDGHGBUECJ-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO Cn1nnc2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc21 ZINC000185249560 396322961 /nfs/dbraw/zinc/32/29/61/396322961.db2.gz HJYRMJMVLKXSRN-GFCCVEGCSA-N 1 0 303.366 0.371 10 0 DCAERO Cn1nnc2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc21 ZINC000185249578 396323111 /nfs/dbraw/zinc/32/31/11/396323111.db2.gz HJYRMJMVLKXSRN-LBPRGKRZSA-N 1 0 303.366 0.371 10 0 DCAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@@]2(C)C(N)=O)C1=O ZINC000185910538 396336965 /nfs/dbraw/zinc/33/69/65/396336965.db2.gz YQFQEVMPXODLPN-HNNXBMFYSA-N 1 0 310.398 0.437 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000186669641 396354833 /nfs/dbraw/zinc/35/48/33/396354833.db2.gz XJDUPCHCBJQCOQ-OLZOCXBDSA-N 1 0 317.455 0.306 10 0 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PHFPJXSSKJKZII-AWEZNQCLSA-N 1 0 315.421 0.981 10 0 DCAERO CNS(=O)(=O)CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000190309530 396404824 /nfs/dbraw/zinc/40/48/24/396404824.db2.gz HMBIFSQCRWHWGI-HNNXBMFYSA-N 1 0 311.451 0.442 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000190677697 396410522 /nfs/dbraw/zinc/41/05/22/396410522.db2.gz BJZJBGBVOSKQDL-STQMWFEESA-N 1 0 301.431 0.898 10 0 DCAERO C[C@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000191217799 396416508 /nfs/dbraw/zinc/41/65/08/396416508.db2.gz KNIMRPLHXFGWOR-LBPRGKRZSA-N 1 0 308.426 0.781 10 0 DCAERO CCN1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000191529138 396421187 /nfs/dbraw/zinc/42/11/87/396421187.db2.gz PBGQKASAHOCRAH-HNNXBMFYSA-N 1 0 318.421 0.527 10 0 DCAERO C[C@@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000192508409 396432129 /nfs/dbraw/zinc/43/21/29/396432129.db2.gz NALPFFGABDVAAX-CQSZACIVSA-N 1 0 312.458 0.617 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000193269713 396447518 /nfs/dbraw/zinc/44/75/18/396447518.db2.gz CYXQUZUZKUTREJ-ZIAGYGMSSA-N 1 0 319.405 0.910 10 0 DCAERO C[C@H]([NH3+])CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000193292949 396448035 /nfs/dbraw/zinc/44/80/35/396448035.db2.gz MLPBEWZIEQVXHY-HNNXBMFYSA-N 1 0 324.469 0.661 10 0 DCAERO COC(=O)c1cccc(OCC[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000371828263 396477823 /nfs/dbraw/zinc/47/78/23/396477823.db2.gz GEBPKVGKRFKYLC-OAHLLOKOSA-N 1 0 320.389 0.868 10 0 DCAERO COC[C@@H](O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000374641630 396677679 /nfs/dbraw/zinc/67/76/79/396677679.db2.gz OHIWVMPHWWVIET-VNQPRFMTSA-N 1 0 321.421 0.813 10 0 DCAERO CSC1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000589085879 396703194 /nfs/dbraw/zinc/70/31/94/396703194.db2.gz ADDZKTTYOSHSMP-LBPRGKRZSA-N 1 0 311.451 0.695 10 0 DCAERO CC1CC[NH+](C[C@@H](O)CNC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000304256542 396728918 /nfs/dbraw/zinc/72/89/18/396728918.db2.gz ZPASVTLYKGKKKB-LBPRGKRZSA-N 1 0 306.410 0.721 10 0 DCAERO CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000312267525 396764083 /nfs/dbraw/zinc/76/40/83/396764083.db2.gz LYZUNOHFPZSNFP-MCIONIFRSA-N 1 0 304.456 0.893 10 0 DCAERO COc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)on1 ZINC000328649307 396829473 /nfs/dbraw/zinc/82/94/73/396829473.db2.gz UXPHTLLIWMNQJH-LBPRGKRZSA-N 1 0 309.366 0.866 10 0 DCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000611522355 396877938 /nfs/dbraw/zinc/87/79/38/396877938.db2.gz XGGXTXJIGVYOJB-ZDUSSCGKSA-N 1 0 314.411 0.283 10 0 DCAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000611578760 396889178 /nfs/dbraw/zinc/88/91/78/396889178.db2.gz VIDSOFBFIVHNLD-ILXRZTDVSA-N 1 0 315.410 0.961 10 0 DCAERO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332828609 396894629 /nfs/dbraw/zinc/89/46/29/396894629.db2.gz BWFRSUOBHZGMBC-JHYKVQOGSA-N 1 0 323.437 0.394 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773980 396914850 /nfs/dbraw/zinc/91/48/50/396914850.db2.gz YBDAUXRZUKBHQA-OWCLPIDISA-N 1 0 303.406 0.551 10 0 DCAERO c1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(N2CCOCC2)n1 ZINC000634812243 396921893 /nfs/dbraw/zinc/92/18/93/396921893.db2.gz CTNQSMZMRFQPEV-ZIAGYGMSSA-N 1 0 303.410 0.892 10 0 DCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000376714448 396966978 /nfs/dbraw/zinc/96/69/78/396966978.db2.gz BRBNGOYFVDMWLM-FRRDWIJNSA-N 1 0 305.444 0.129 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@](C)(C[NH3+])C1 ZINC000630359741 396994066 /nfs/dbraw/zinc/99/40/66/396994066.db2.gz DTFZYYMUIDAHEF-AGIUHOORSA-N 1 0 305.444 0.401 10 0 DCAERO C[C@@H](C[S@@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000612313750 397028617 /nfs/dbraw/zinc/02/86/17/397028617.db2.gz QKLGQTKOQPYOBR-WVDJIFEKSA-N 1 0 301.416 0.333 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000630944574 397143800 /nfs/dbraw/zinc/14/38/00/397143800.db2.gz BRNRFMWFJDQRAR-SOUVJXGZSA-N 1 0 309.410 0.055 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000382453036 397274315 /nfs/dbraw/zinc/27/43/15/397274315.db2.gz GYPIXAFYOHBGCY-CMPLNLGQSA-N 1 0 312.391 0.879 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000393428536 397307641 /nfs/dbraw/zinc/30/76/41/397307641.db2.gz OLTHBXWNQYRAHU-MJBXVCDLSA-N 1 0 302.440 0.959 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407956044 397335971 /nfs/dbraw/zinc/33/59/71/397335971.db2.gz LBDUQDMPJLACBK-ZDUSSCGKSA-N 1 0 310.442 0.981 10 0 DCAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366110402 397338686 /nfs/dbraw/zinc/33/86/86/397338686.db2.gz UQALTUKJQKGONU-HNNXBMFYSA-N 1 0 311.382 0.782 10 0 DCAERO C[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000407968188 397340813 /nfs/dbraw/zinc/34/08/13/397340813.db2.gz FOBHQHBMZTWVCO-MGPQQGTHSA-N 1 0 310.442 0.979 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408349315 397353906 /nfs/dbraw/zinc/35/39/06/397353906.db2.gz OPNGVEXEHUTULU-CHWSQXEVSA-N 1 0 306.428 0.196 10 0 DCAERO Cn1nnc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000577744279 397357133 /nfs/dbraw/zinc/35/71/33/397357133.db2.gz IOGPOJUGGFBBLF-CYBMUJFWSA-N 1 0 300.366 0.348 10 0 DCAERO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000578653262 397466741 /nfs/dbraw/zinc/46/67/41/397466741.db2.gz WDAHTUMCUSIBLY-UWVGGRQHSA-N 1 0 317.436 0.222 10 0 DCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[N@H+](CC)C1CC1 ZINC000488305948 397489163 /nfs/dbraw/zinc/48/91/63/397489163.db2.gz FZWCGTBCFJGQQV-MNOVXSKESA-N 1 0 313.398 0.043 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000371296982 397569087 /nfs/dbraw/zinc/56/90/87/397569087.db2.gz FSSLTBBBWIXLCP-SDDRHHMPSA-N 1 0 310.398 0.211 10 0 DCAERO C[N@H+](CCN1CCCC1=O)C[C@@H](O)COC[C@H]1CCCO1 ZINC000602958588 397534159 /nfs/dbraw/zinc/53/41/59/397534159.db2.gz BOUWRXUXQIEOPA-ZIAGYGMSSA-N 1 0 300.399 0.097 10 0 DCAERO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641425 397644975 /nfs/dbraw/zinc/64/49/75/397644975.db2.gz VLSXWTGIAODBTR-RBSFLKMASA-N 1 0 310.442 0.348 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCC[NH+](C)C ZINC000603291968 397594217 /nfs/dbraw/zinc/59/42/17/397594217.db2.gz VCSIRTUSOJRGBG-UHFFFAOYSA-N 1 0 313.423 0.714 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)Nc1ccc2nccn2c1 ZINC000606580475 397684019 /nfs/dbraw/zinc/68/40/19/397684019.db2.gz QIDBGBQNHLHXSO-UHFFFAOYSA-N 1 0 315.333 0.995 10 0 DCAERO CNS(=O)(=O)CCC[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000609614376 397785400 /nfs/dbraw/zinc/78/54/00/397785400.db2.gz ZLIAIQJAMPWFGU-LLVKDONJSA-N 1 0 304.412 0.201 10 0 DCAERO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH2+]C[C@@H]3C)C2)nn1 ZINC000333411222 292133144 /nfs/dbraw/zinc/13/31/44/292133144.db2.gz RGZYTJMSZPYZDY-KBPBESRZSA-N 1 0 318.425 0.757 10 0 DCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)C12CCOCC2 ZINC000333826248 286261792 /nfs/dbraw/zinc/26/17/92/286261792.db2.gz RXEOVFNOYHXYLS-MGPQQGTHSA-N 1 0 311.426 0.964 10 0 DCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)[C@@H]1OC ZINC000333536331 286259833 /nfs/dbraw/zinc/25/98/33/286259833.db2.gz IQFLSVGGOXIWCS-MCIONIFRSA-N 1 0 311.426 0.964 10 0 DCAERO O=C(CC[N@@H+]1CCNC(=O)CC1)NC(=O)NCc1ccccc1 ZINC000054259388 158020654 /nfs/dbraw/zinc/02/06/54/158020654.db2.gz TXBBPPDJCQEKHK-UHFFFAOYSA-N 1 0 318.377 0.224 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058909814 158027155 /nfs/dbraw/zinc/02/71/55/158027155.db2.gz HWBVVOQNNIKYTG-UHFFFAOYSA-N 1 0 307.394 0.612 10 0 DCAERO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000064140086 158033079 /nfs/dbraw/zinc/03/30/79/158033079.db2.gz RZLAYBIXIPHOCM-CYBMUJFWSA-N 1 0 309.410 0.178 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCNC(=O)CC1 ZINC000068465444 158043452 /nfs/dbraw/zinc/04/34/52/158043452.db2.gz CHOMNILOQHQEOK-HNNXBMFYSA-N 1 0 301.390 1.000 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000074495775 158059845 /nfs/dbraw/zinc/05/98/45/158059845.db2.gz SKKYSLIASMNXSP-CYBMUJFWSA-N 1 0 319.409 0.332 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000077607013 158069254 /nfs/dbraw/zinc/06/92/54/158069254.db2.gz MYAWVIIIIDBMPW-NSHDSACASA-N 1 0 323.418 0.548 10 0 DCAERO Cn1cnc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000092377729 158114093 /nfs/dbraw/zinc/11/40/93/158114093.db2.gz OUOKFZSECJBDIB-UHFFFAOYSA-N 1 0 306.414 0.833 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000108718289 158136224 /nfs/dbraw/zinc/13/62/24/158136224.db2.gz PZDQLSHTSUCODR-FRRDWIJNSA-N 1 0 305.444 0.414 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022662 158150792 /nfs/dbraw/zinc/15/07/92/158150792.db2.gz GZLXXEWVYVGKQN-CQSZACIVSA-N 1 0 312.458 0.881 10 0 DCAERO CO[C@@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415413 158153168 /nfs/dbraw/zinc/15/31/68/158153168.db2.gz AOIDGGQEYBWEGL-ZDUSSCGKSA-N 1 0 306.410 0.827 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)CC(C)C ZINC000118975427 158181370 /nfs/dbraw/zinc/18/13/70/158181370.db2.gz QTNKNFMRBJYPHI-AWEZNQCLSA-N 1 0 313.442 0.766 10 0 DCAERO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000124442604 158242811 /nfs/dbraw/zinc/24/28/11/158242811.db2.gz HXHZJOJCKKQILI-OAHLLOKOSA-N 1 0 306.410 0.974 10 0 DCAERO CC[C@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)[NH+](C)C ZINC000124649675 158245188 /nfs/dbraw/zinc/24/51/88/158245188.db2.gz QJEPKHCFOJVFIW-UONOGXRCSA-N 1 0 311.426 0.424 10 0 DCAERO CC[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[NH+](C)C ZINC000124650041 158245352 /nfs/dbraw/zinc/24/53/52/158245352.db2.gz QJEPKHCFOJVFIW-ZIAGYGMSSA-N 1 0 311.426 0.424 10 0 DCAERO C[NH+]1CCC(N2CCC(NC(=O)CC[S@@](C)=O)CC2)CC1 ZINC000127457708 158273334 /nfs/dbraw/zinc/27/33/34/158273334.db2.gz HAZKFDGQUFGVEW-NRFANRHFSA-N 1 0 315.483 0.430 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)CCCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000127473762 158274129 /nfs/dbraw/zinc/27/41/29/158274129.db2.gz PKWKOXOOXNXGDW-QWHCGFSZSA-N 1 0 324.425 0.602 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)CCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000127667516 158276153 /nfs/dbraw/zinc/27/61/53/158276153.db2.gz KPPZRALCHWWVAE-ZIAGYGMSSA-N 1 0 311.426 0.567 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)nc2C)C1 ZINC000128307848 158279998 /nfs/dbraw/zinc/27/99/98/158279998.db2.gz ZHKSNPGGJRIAMD-LBPRGKRZSA-N 1 0 320.393 0.938 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000129274254 158287623 /nfs/dbraw/zinc/28/76/23/158287623.db2.gz QSSHWQFLWGPZEE-RYUDHWBXSA-N 1 0 305.444 0.320 10 0 DCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000129873697 158292207 /nfs/dbraw/zinc/29/22/07/158292207.db2.gz QJEWDOWKUJOXNK-CYBMUJFWSA-N 1 0 320.437 0.687 10 0 DCAERO CC[N@H+](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307919 /nfs/dbraw/zinc/30/79/19/158307919.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 1 0 319.453 0.939 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)c2cncc(OCCO)n2)CC1 ZINC000133332509 158318135 /nfs/dbraw/zinc/31/81/35/158318135.db2.gz NLHDVBGCXJFAGE-ZDUSSCGKSA-N 1 0 324.425 0.377 10 0 DCAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000135579305 158338901 /nfs/dbraw/zinc/33/89/01/158338901.db2.gz VRZYAUSYRTVCJG-ZFWWWQNUSA-N 1 0 308.426 0.422 10 0 DCAERO CS(=O)(=O)c1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000166010252 158366337 /nfs/dbraw/zinc/36/63/37/158366337.db2.gz KXLAEOAANUNHGI-UHFFFAOYSA-N 1 0 312.391 0.784 10 0 DCAERO O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000167975264 158371107 /nfs/dbraw/zinc/37/11/07/158371107.db2.gz XAXNQODQLGBEDQ-RDJZCZTQSA-N 1 0 321.396 0.566 10 0 DCAERO CCOCCN1CC[N@H+](CCCC(=O)NC(N)=O)C[C@@H]1CC ZINC000171574594 158384701 /nfs/dbraw/zinc/38/47/01/158384701.db2.gz BXGRLDQRRYCYFP-ZDUSSCGKSA-N 1 0 314.430 0.394 10 0 DCAERO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)NC(=O)NCc1ccco1 ZINC000172043902 158390466 /nfs/dbraw/zinc/39/04/66/158390466.db2.gz ANXIQIBUVIUXTF-ODOQXGPZSA-N 1 0 321.377 0.698 10 0 DCAERO 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LDTNCUGAUJIPLQ-SECBINFHSA-N 1 0 302.172 0.838 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000333731789 415724372 /nfs/dbraw/zinc/72/43/72/415724372.db2.gz WGMFVXRMDMKQIK-JTQLQIEISA-N 1 0 322.331 0.892 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCCC[NH2+]C3)cc12 ZINC000333671017 415713433 /nfs/dbraw/zinc/71/34/33/415713433.db2.gz NBJKDJZLMLMBBJ-LLVKDONJSA-N 1 0 323.422 0.697 10 0 DCAERO CC(C)OCCN1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333769294 415736159 /nfs/dbraw/zinc/73/61/59/415736159.db2.gz BTNCJXKYNCYPEQ-HNNXBMFYSA-N 1 0 312.458 0.881 10 0 DCAERO C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000333880752 415758741 /nfs/dbraw/zinc/75/87/41/415758741.db2.gz DKHARHQYOILKLX-IUODEOHRSA-N 1 0 309.389 0.576 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000334051719 415794840 /nfs/dbraw/zinc/79/48/40/415794840.db2.gz SFTBSMQTFDGUSC-ZNMIVQPWSA-N 1 0 313.442 0.492 10 0 DCAERO COCCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)cn1 ZINC000343986999 415808749 /nfs/dbraw/zinc/80/87/49/415808749.db2.gz RHCNQDVOGYITKM-GJZGRUSLSA-N 1 0 309.410 0.746 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000336914171 415859608 /nfs/dbraw/zinc/85/96/08/415859608.db2.gz KTIZZOBVLYFWPE-TUAOUCFPSA-N 1 0 303.428 0.298 10 0 DCAERO CC[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000125234896 415862749 /nfs/dbraw/zinc/86/27/49/415862749.db2.gz UMPGOYFIBSNSTG-GFCCVEGCSA-N 1 0 319.409 0.556 10 0 DCAERO [NH3+][C@@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)C1CC1 ZINC000137597965 415961808 /nfs/dbraw/zinc/96/18/08/415961808.db2.gz IICYTZRTUHKWFF-LSDHHAIUSA-N 1 0 316.405 0.930 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000152639701 415968253 /nfs/dbraw/zinc/96/82/53/415968253.db2.gz CKXYXBDRNLUITM-WBVHZDCISA-N 1 0 307.438 0.588 10 0 DCAERO Cn1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000153074081 415974745 /nfs/dbraw/zinc/97/47/45/415974745.db2.gz MZZXSQPDNKRYOW-AWEZNQCLSA-N 1 0 315.377 0.778 10 0 DCAERO Cc1csc2nc(CN3CCO[C@H](C[NH+](C)C)C3)cc(=O)n12 ZINC000155255745 415995444 /nfs/dbraw/zinc/99/54/44/415995444.db2.gz PIIVVUVKZITIBI-CYBMUJFWSA-N 1 0 322.434 0.827 10 0 DCAERO COC(=O)CCCS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173275311 416055897 /nfs/dbraw/zinc/05/58/97/416055897.db2.gz JULBZLJIMZRFLL-NEPJUHHUSA-N 1 0 306.428 0.684 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCC(=O)OC ZINC000173726868 416063159 /nfs/dbraw/zinc/06/31/59/416063159.db2.gz DYFZQJZVNAYETP-QWHCGFSZSA-N 1 0 318.439 0.828 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCSC[C@H]2CCO)C1 ZINC000338277280 416071529 /nfs/dbraw/zinc/07/15/29/416071529.db2.gz LKHRSRBBNWLLEH-NWDGAFQWSA-N 1 0 308.469 0.068 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000174157454 416074020 /nfs/dbraw/zinc/07/40/20/416074020.db2.gz QZNPXNWCYCYMKJ-CVEARBPZSA-N 1 0 324.469 0.834 10 0 DCAERO O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000174174079 416074230 /nfs/dbraw/zinc/07/42/30/416074230.db2.gz RETCHKDYEONOCU-AWEZNQCLSA-N 1 0 309.410 0.322 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](C)C1 ZINC000159095909 416006552 /nfs/dbraw/zinc/00/65/52/416006552.db2.gz HEGCHLJXOGABQL-QWRGUYRKSA-N 1 0 305.444 0.159 10 0 DCAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000171586294 416041009 /nfs/dbraw/zinc/04/10/09/416041009.db2.gz QKBWXYTXDYWMNG-LLVKDONJSA-N 1 0 315.377 0.490 10 0 DCAERO Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)n2ncnc2n1 ZINC000301539369 416084964 /nfs/dbraw/zinc/08/49/64/416084964.db2.gz BSVGWQGECWWAQP-KGLIPLIRSA-N 1 0 316.409 0.858 10 0 DCAERO NC(=O)c1cncc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000301676521 416088422 /nfs/dbraw/zinc/08/84/22/416088422.db2.gz COHWDHJKGIACTR-UONOGXRCSA-N 1 0 319.409 0.755 10 0 DCAERO Cc1noc(-c2ccnc(NC[C@@H](O)CN3CCOCC3)c2)n1 ZINC000301722030 416090341 /nfs/dbraw/zinc/09/03/41/416090341.db2.gz KCIBDILAVZLZSN-CYBMUJFWSA-N 1 0 319.365 0.545 10 0 DCAERO C[C@@H](CNC(=O)NC[C@](C)(O)c1ccco1)N1CCOCC1 ZINC000175006840 416094375 /nfs/dbraw/zinc/09/43/75/416094375.db2.gz GVWRAAVLRWCEAZ-WFASDCNBSA-N 1 0 311.382 0.507 10 0 DCAERO C[C@H](CNC(=O)NCC(C)(C)C[C@H](C)O)N1CCOCC1 ZINC000175004099 416094966 /nfs/dbraw/zinc/09/49/66/416094966.db2.gz WHJREHLKZWCQFW-OLZOCXBDSA-N 1 0 301.431 0.803 10 0 DCAERO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000357625140 416108425 /nfs/dbraw/zinc/10/84/25/416108425.db2.gz HOPREXJDQSNNHT-UHFFFAOYSA-N 1 0 321.425 0.417 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175811814 416114763 /nfs/dbraw/zinc/11/47/63/416114763.db2.gz KDPBROLPVQAWDJ-ARFHVFGLSA-N 1 0 324.469 0.833 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176431141 416125204 /nfs/dbraw/zinc/12/52/04/416125204.db2.gz GFPCBTYJENOONM-UHFFFAOYSA-N 1 0 317.455 0.355 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)[C@H]2C1 ZINC000328821080 416133609 /nfs/dbraw/zinc/13/36/09/416133609.db2.gz HRBDCAIBJIPGCF-XJFOESAGSA-N 1 0 318.439 0.289 10 0 DCAERO CC(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000357793611 416134301 /nfs/dbraw/zinc/13/43/01/416134301.db2.gz OUJAKOAITPMXDN-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000176835481 416135969 /nfs/dbraw/zinc/13/59/69/416135969.db2.gz VOFYLUPZJJQFMC-QWHCGFSZSA-N 1 0 314.451 0.896 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cncn3C)CC2)C1 ZINC000177055269 416139183 /nfs/dbraw/zinc/13/91/83/416139183.db2.gz GPDRZDKIVNFVRH-QGZVFWFLSA-N 1 0 321.469 0.647 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)[N@H+](C)C1 ZINC000329062286 416145760 /nfs/dbraw/zinc/14/57/60/416145760.db2.gz ZOFLTWORJOBGOU-KBPBESRZSA-N 1 0 319.409 0.599 10 0 DCAERO Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177677051 416149020 /nfs/dbraw/zinc/14/90/20/416149020.db2.gz UDSXOJZZTQMLQQ-CYBMUJFWSA-N 1 0 305.378 0.723 10 0 DCAERO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000178542288 416166441 /nfs/dbraw/zinc/16/64/41/416166441.db2.gz SBSWZEBFLMMDDD-YPMHNXCESA-N 1 0 311.451 0.885 10 0 DCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178929635 416177871 /nfs/dbraw/zinc/17/78/71/416177871.db2.gz JIVNDHXUHLIWFG-GFCCVEGCSA-N 1 0 311.407 0.548 10 0 DCAERO CCc1nn(C)c(OC)c1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179707203 416192447 /nfs/dbraw/zinc/19/24/47/416192447.db2.gz OXEOYDNCTGLOIO-LBPRGKRZSA-N 1 0 321.425 0.981 10 0 DCAERO C[C@H]1CC[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000182377694 416220679 /nfs/dbraw/zinc/22/06/79/416220679.db2.gz BACBITDTKZXUFQ-RYUDHWBXSA-N 1 0 319.409 0.554 10 0 DCAERO COCc1nc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000182465378 416224451 /nfs/dbraw/zinc/22/44/51/416224451.db2.gz GXGCMXLDVWGDPG-CQSZACIVSA-N 1 0 323.441 0.818 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000178335832 416160671 /nfs/dbraw/zinc/16/06/71/416160671.db2.gz LOMFIMUVLPYTKV-OAHLLOKOSA-N 1 0 306.410 0.951 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)n1 ZINC000358467615 416241307 /nfs/dbraw/zinc/24/13/07/416241307.db2.gz PPGQMYBMOHTUIM-UHFFFAOYSA-N 1 0 321.381 0.830 10 0 DCAERO COC(=O)C(C)(C)N1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358488844 416242575 /nfs/dbraw/zinc/24/25/75/416242575.db2.gz BCDUHZCVIDRPJV-GFCCVEGCSA-N 1 0 314.430 0.215 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183563683 416245420 /nfs/dbraw/zinc/24/54/20/416245420.db2.gz MNHAPMMIGMAOKQ-ZDUSSCGKSA-N 1 0 306.410 0.676 10 0 DCAERO NC(=O)COc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186530840 416256171 /nfs/dbraw/zinc/25/61/71/416256171.db2.gz MSBMNQDDPXMEBQ-ZDUSSCGKSA-N 1 0 317.389 0.907 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186869813 416259080 /nfs/dbraw/zinc/25/90/80/416259080.db2.gz KYBRJESTZDOXTB-MFKMUULPSA-N 1 0 311.407 0.370 10 0 DCAERO CN(CC1([NH+](C)C)CCC1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000189517592 416266500 /nfs/dbraw/zinc/26/65/00/416266500.db2.gz UONIVYUJWSQBNY-UHFFFAOYSA-N 1 0 310.398 0.260 10 0 DCAERO CC(C)OCCN1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000190204614 416276424 /nfs/dbraw/zinc/27/64/24/416276424.db2.gz DAKNXQXCQQVXEP-KGLIPLIRSA-N 1 0 320.455 0.536 10 0 DCAERO C[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000190131108 416276458 /nfs/dbraw/zinc/27/64/58/416276458.db2.gz SSLAUYGTPCSNPG-GRYCIOLGSA-N 1 0 324.343 0.869 10 0 DCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)CC2 ZINC000183219769 416238944 /nfs/dbraw/zinc/23/89/44/416238944.db2.gz AXRVKAUNCQMOTH-VXGBXAGGSA-N 1 0 312.439 0.883 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000193685733 416319166 /nfs/dbraw/zinc/31/91/66/416319166.db2.gz KSRBXLQGFKFAMO-STQMWFEESA-N 1 0 317.455 0.401 10 0 DCAERO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000192010572 416295267 /nfs/dbraw/zinc/29/52/67/416295267.db2.gz WZKSJDNXDLSHKF-WCQYABFASA-N 1 0 319.409 0.955 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cncc(Br)c1 ZINC000261559252 416335575 /nfs/dbraw/zinc/33/55/75/416335575.db2.gz SYUUBJJCCIJDOT-XVKPBYJWSA-N 1 0 320.212 0.954 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000261909838 416336023 /nfs/dbraw/zinc/33/60/23/416336023.db2.gz QBDCHHJLTQFUMU-OAHLLOKOSA-N 1 0 316.405 0.304 10 0 DCAERO CCOCCS(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262060443 416336163 /nfs/dbraw/zinc/33/61/63/416336163.db2.gz RBHGYLUMEAXBSW-UHFFFAOYSA-N 1 0 300.424 0.856 10 0 DCAERO CS(=O)(=O)C1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000262562230 416336997 /nfs/dbraw/zinc/33/69/97/416336997.db2.gz QXLAIEMSUQEERN-STQMWFEESA-N 1 0 314.451 0.802 10 0 DCAERO CC[C@H](C)[NH2+][C@H](CNC(=O)CN1CCOCC1=O)c1ccco1 ZINC000359546908 416350170 /nfs/dbraw/zinc/35/01/70/416350170.db2.gz QVGIUADFNVYDLG-QWHCGFSZSA-N 1 0 323.393 0.684 10 0 DCAERO CCCCOCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000194510287 416323193 /nfs/dbraw/zinc/32/31/93/416323193.db2.gz SYGFJZUTKDMHLD-CQSZACIVSA-N 1 0 301.431 0.949 10 0 DCAERO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000194858784 416325004 /nfs/dbraw/zinc/32/50/04/416325004.db2.gz CLZXHKDZJPWZMJ-DGCLKSJQSA-N 1 0 311.407 0.303 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCS(=O)(=O)NC(C)C ZINC000195185334 416325438 /nfs/dbraw/zinc/32/54/38/416325438.db2.gz OFRWDYCKNXFRAG-LBPRGKRZSA-N 1 0 322.475 0.344 10 0 DCAERO O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195311254 416325667 /nfs/dbraw/zinc/32/56/67/416325667.db2.gz PLWSSKXXSOSNIJ-ZIAGYGMSSA-N 1 0 317.389 0.935 10 0 DCAERO C[C@H]1COCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000195343935 416326137 /nfs/dbraw/zinc/32/61/37/416326137.db2.gz BKCWTKDOESNVNA-JKSUJKDBSA-N 1 0 309.454 0.899 10 0 DCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000237890846 416328785 /nfs/dbraw/zinc/32/87/85/416328785.db2.gz KOFSYVULKXFRDX-RRFJBIMHSA-N 1 0 323.437 0.601 10 0 DCAERO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237931636 416329274 /nfs/dbraw/zinc/32/92/74/416329274.db2.gz GTFLAQDWJBIXKD-UONOGXRCSA-N 1 0 319.430 0.520 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245576899 416331240 /nfs/dbraw/zinc/33/12/40/416331240.db2.gz BESNPNGTYZMLCR-GMXVVIOVSA-N 1 0 322.409 0.306 10 0 DCAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458433842 416467194 /nfs/dbraw/zinc/46/71/94/416467194.db2.gz QOTYAHOKWNGORN-KBPBESRZSA-N 1 0 324.429 0.203 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)[N@H+](C)C1 ZINC000583619943 416480603 /nfs/dbraw/zinc/48/06/03/416480603.db2.gz GXLYBBCOMHREJG-STQMWFEESA-N 1 0 307.398 0.086 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)[nH]n1 ZINC000458556225 416481468 /nfs/dbraw/zinc/48/14/68/416481468.db2.gz QDQOIPBJELTAEC-WFASDCNBSA-N 1 0 323.441 0.795 10 0 DCAERO CN(C)c1nccc(N2CC[NH+](CCc3cn[nH]c3)CC2)n1 ZINC000459348946 416535908 /nfs/dbraw/zinc/53/59/08/416535908.db2.gz XJBMNKSIVFLATE-UHFFFAOYSA-N 1 0 301.398 0.630 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000537213781 416555049 /nfs/dbraw/zinc/55/50/49/416555049.db2.gz ROCNYHDTEAWPJY-KBPBESRZSA-N 1 0 323.437 0.962 10 0 DCAERO CO[C@@H]1CC[C@H]2OCCN(Cc3cc(=O)n4[n-]ccc4n3)[C@H]2C1 ZINC000534383221 416501407 /nfs/dbraw/zinc/50/14/07/416501407.db2.gz OSXPNBJVXCFGAE-HZSPNIEDSA-N 1 0 318.377 0.791 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000361862178 416511684 /nfs/dbraw/zinc/51/16/84/416511684.db2.gz LSPJNUCKOJUYQE-UHFFFAOYSA-N 1 0 319.409 1.171 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000361907174 416520761 /nfs/dbraw/zinc/52/07/61/416520761.db2.gz OEMKVVONFWAJAI-UHFFFAOYSA-N 1 0 319.409 0.860 10 0 DCAERO Cc1cnc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000543711743 416643359 /nfs/dbraw/zinc/64/33/59/416643359.db2.gz GFHXNUTWKGJQJY-UHFFFAOYSA-N 1 0 306.410 0.444 10 0 DCAERO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CCCO ZINC000440971485 416655875 /nfs/dbraw/zinc/65/58/75/416655875.db2.gz ZYCPXSJGRVIORZ-CYBMUJFWSA-N 1 0 322.405 0.819 10 0 DCAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000544590113 416657136 /nfs/dbraw/zinc/65/71/36/416657136.db2.gz IYLUJUQBJSDBGW-JKSUJKDBSA-N 1 0 307.438 0.936 10 0 DCAERO COCC1(O)CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000545176157 416664602 /nfs/dbraw/zinc/66/46/02/416664602.db2.gz OIPAIXLYGPDIOD-UHFFFAOYSA-N 1 0 311.426 0.821 10 0 DCAERO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000615074273 416750280 /nfs/dbraw/zinc/75/02/80/416750280.db2.gz UHSHDFHFEBMBTG-UHFFFAOYSA-N 1 0 324.381 0.458 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC2(C[NH3+])CCCCC2)C[C@@H](C)O1 ZINC000631980905 416846284 /nfs/dbraw/zinc/84/62/84/416846284.db2.gz JFISIVALVONJIE-VXGBXAGGSA-N 1 0 305.444 0.592 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000519538572 416910884 /nfs/dbraw/zinc/91/08/84/416910884.db2.gz KCROPQSHTONFNM-WDEREUQCSA-N 1 0 320.393 0.850 10 0 DCAERO c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCOCC2)n1 ZINC000372706023 416942388 /nfs/dbraw/zinc/94/23/88/416942388.db2.gz LYYQOAMNISZKMQ-KGLIPLIRSA-N 1 0 303.410 1.352 10 0 DCAERO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000520511819 416967292 /nfs/dbraw/zinc/96/72/92/416967292.db2.gz OKMANXZFVKLHLX-LSDHHAIUSA-N 1 0 311.426 0.350 10 0 DCAERO CN(C(=O)[C@](C)(O)Cn1ccccc1=O)C1CC[NH+](C)CC1 ZINC000448543350 417084256 /nfs/dbraw/zinc/08/42/56/417084256.db2.gz RKTULDPRXYXRBW-MRXNPFEDSA-N 1 0 307.394 0.152 10 0 DCAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400096987 417110548 /nfs/dbraw/zinc/11/05/48/417110548.db2.gz FZGXPXYANGUZCV-TUUUFIMRSA-N 1 0 302.440 0.691 10 0 DCAERO CCO[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000405560248 417125951 /nfs/dbraw/zinc/12/59/51/417125951.db2.gz DEBGMLWXBIECQL-HUUCEWRRSA-N 1 0 316.409 0.517 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408011866 417133109 /nfs/dbraw/zinc/13/31/09/417133109.db2.gz VUHLIFXWOTWVJT-ZIAGYGMSSA-N 1 0 303.472 0.873 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)C1 ZINC000408044898 417137003 /nfs/dbraw/zinc/13/70/03/417137003.db2.gz CFOCKYNCNJANDI-CFVMTHIKSA-N 1 0 311.426 0.206 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000408063572 417137111 /nfs/dbraw/zinc/13/71/11/417137111.db2.gz VSDZGJVLQNIBGL-MGPQQGTHSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000408041780 417138089 /nfs/dbraw/zinc/13/80/89/417138089.db2.gz OKCHOYALQCWHFW-MGPQQGTHSA-N 1 0 309.410 0.176 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc2nccn2c1 ZINC000568791088 417179079 /nfs/dbraw/zinc/17/90/79/417179079.db2.gz XOGDNWKAGWUBMT-UHFFFAOYSA-N 1 0 324.344 0.318 10 0 DCAERO c1c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)nnn1CC1CC1 ZINC000450464971 417228860 /nfs/dbraw/zinc/22/88/60/417228860.db2.gz ATHIZDHXVQSRCJ-HNNXBMFYSA-N 1 0 305.426 0.842 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC[C@H]1O ZINC000637964834 417257414 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C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000638279732 417402022 /nfs/dbraw/zinc/40/20/22/417402022.db2.gz VNVYPOQIZYIUIS-HUUCEWRRSA-N 1 0 307.438 0.969 10 0 DCAERO CN(CC1CC1)C(=O)CN1CCCC[C@@H]1CS(C)(=O)=O ZINC000451649192 417371063 /nfs/dbraw/zinc/37/10/63/417371063.db2.gz AIFYNXWTVYJMNJ-CYBMUJFWSA-N 1 0 302.440 0.754 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000638447755 417460623 /nfs/dbraw/zinc/46/06/23/417460623.db2.gz HXRAKAWJXKLNKN-DOTOQJQBSA-N 1 0 317.433 0.955 10 0 DCAERO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634712375 417530156 /nfs/dbraw/zinc/53/01/56/417530156.db2.gz DVCDLEBJMKGGIV-GJZGRUSLSA-N 1 0 314.470 0.989 10 0 DCAERO CC(C)(C)n1cnc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)n1 ZINC000455133068 417593799 /nfs/dbraw/zinc/59/37/99/417593799.db2.gz JFRDWNBDLVSTBB-GFCCVEGCSA-N 1 0 324.429 1.001 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+]CC[C@H]4CCOC4)C3)nn12 ZINC000628424979 417618969 /nfs/dbraw/zinc/61/89/69/417618969.db2.gz XLFZQRUWJDHQQN-STQMWFEESA-N 1 0 302.382 0.719 10 0 DCAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)CC1(O)CCOCC1 ZINC000630047518 417812676 /nfs/dbraw/zinc/81/26/76/417812676.db2.gz UHPAAFLQOPHXBO-OWCLPIDISA-N 1 0 312.454 0.838 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccncc1Br ZINC000647038177 417975234 /nfs/dbraw/zinc/97/52/34/417975234.db2.gz ZKDLKFKHDWESPT-XCBNKYQSSA-N 1 0 300.156 0.154 10 0 DCAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000653056175 418017644 /nfs/dbraw/zinc/01/76/44/418017644.db2.gz XGBKMLWGQKXONN-IWSPIJDZSA-N 1 0 314.329 0.030 10 0 DCAERO NC(=O)c1ncn([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n1 ZINC000299739263 229371951 /nfs/dbraw/zinc/37/19/51/229371951.db2.gz MNIPVUAGLLPNCK-CYBMUJFWSA-N 1 0 300.366 0.652 10 0 DCAERO Cc1nccn1-c1cncc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301969461 230012298 /nfs/dbraw/zinc/01/22/98/230012298.db2.gz BRSITHQIBFUYPX-STQMWFEESA-N 1 0 300.366 0.490 10 0 DCAERO O=C(NCCc1cccnc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192803515 261139581 /nfs/dbraw/zinc/13/95/81/261139581.db2.gz PENDTRPFQWKSOA-HNNXBMFYSA-N 1 0 306.410 0.770 10 0 DCAERO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000234568314 261155008 /nfs/dbraw/zinc/15/50/08/261155008.db2.gz UBOOMGGTIBXASW-STQMWFEESA-N 1 0 318.439 0.684 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000363018101 262094034 /nfs/dbraw/zinc/09/40/34/262094034.db2.gz XOHLNKOSXGYAAE-HZSPNIEDSA-N 1 0 309.410 0.354 10 0 DCAERO OC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC000459715377 272007059 /nfs/dbraw/zinc/00/70/59/272007059.db2.gz VCRJYXATPVWNCY-SCRDCRAPSA-N 1 0 319.323 0.894 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408122619 274285978 /nfs/dbraw/zinc/28/59/78/274285978.db2.gz LCSAAIOSGGKUMU-CYBMUJFWSA-N 1 0 319.471 0.806 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179066203 275777519 /nfs/dbraw/zinc/77/75/19/275777519.db2.gz NNHSWWGMZRVXGC-JKSUJKDBSA-N 1 0 301.390 0.780 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000172272963 276116127 /nfs/dbraw/zinc/11/61/27/276116127.db2.gz RJLVXSOXPCUVBZ-TZMCWYRMSA-N 1 0 314.430 0.263 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262441424 277014918 /nfs/dbraw/zinc/01/49/18/277014918.db2.gz UWDUNXYXYHFFEL-LSDHHAIUSA-N 1 0 319.430 0.911 10 0 DCAERO C[N@H+]1C[C@H]2CN(CCN3C(=O)NC4(CCCC4)C3=O)C[C@H]2C1 ZINC000193616116 277198030 /nfs/dbraw/zinc/19/80/30/277198030.db2.gz SNNVEXMRXRSQEM-BETUJISGSA-N 1 0 306.410 0.344 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000194034745 277394055 /nfs/dbraw/zinc/39/40/55/277394055.db2.gz SWRIPQOVNCTQHU-QWHCGFSZSA-N 1 0 319.471 0.503 10 0 DCAERO C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCS1(=O)=O ZINC000328709559 277820815 /nfs/dbraw/zinc/82/08/15/277820815.db2.gz BJHDCPUZSSCBCT-LLVKDONJSA-N 1 0 300.424 0.506 10 0 DCAERO CC(=O)NC1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000248784835 278090794 /nfs/dbraw/zinc/09/07/94/278090794.db2.gz CJAVTMPCLWLTBA-HOTGVXAUSA-N 1 0 316.405 0.962 10 0 DCAERO CS(=O)(=O)N1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249046687 278109086 /nfs/dbraw/zinc/10/90/86/278109086.db2.gz HNDFEMZUAJONLU-CQSZACIVSA-N 1 0 304.456 0.895 10 0 DCAERO CC(=O)N1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000546566623 288018686 /nfs/dbraw/zinc/01/86/86/288018686.db2.gz NTPCUDQXRRJPQG-AWEZNQCLSA-N 1 0 308.426 0.901 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000546565753 288018840 /nfs/dbraw/zinc/01/88/40/288018840.db2.gz HTFMXJZPHROBQB-ZDUSSCGKSA-N 1 0 306.410 0.701 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000178694394 278306531 /nfs/dbraw/zinc/30/65/31/278306531.db2.gz LENDUCKBHCUVBT-SECBINFHSA-N 1 0 304.799 0.967 10 0 DCAERO CCC[C@@H](C(=O)NC[C@@H]1COC2(CCOCC2)O1)[NH+](C)C ZINC000180816927 278855798 /nfs/dbraw/zinc/85/57/98/278855798.db2.gz CDKOBNAPRABQOR-OLZOCXBDSA-N 1 0 300.399 0.755 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1=O ZINC000261901949 278937877 /nfs/dbraw/zinc/93/78/77/278937877.db2.gz HUUQEHPNXLBPKA-AQGHMYMLSA-N 1 0 307.438 0.742 10 0 DCAERO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c([C@H]2CCOC2)n1 ZINC000548344011 288134074 /nfs/dbraw/zinc/13/40/74/288134074.db2.gz YVVDAEBAIQZJCW-NWDGAFQWSA-N 1 0 304.394 0.891 10 0 DCAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000021021675 279471169 /nfs/dbraw/zinc/47/11/69/279471169.db2.gz ZWCFGFSRKKHQFB-JTQLQIEISA-N 1 0 320.436 0.290 10 0 DCAERO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000548389314 288138444 /nfs/dbraw/zinc/13/84/44/288138444.db2.gz KAXFPWUDMAQZJC-WMLDXEAASA-N 1 0 319.405 0.296 10 0 DCAERO Cn1cc(OCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000548762791 288173808 /nfs/dbraw/zinc/17/38/08/288173808.db2.gz WMSCEPOLXUNTHI-CQSZACIVSA-N 1 0 306.410 0.989 10 0 DCAERO CS[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000548800572 288177179 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/nfs/dbraw/zinc/52/60/55/662526055.db2.gz HLTKMPXCJVYMGB-WDEREUQCSA-N 1 0 311.407 0.511 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CCS(=O)(=O)C1 ZINC000721253100 662852760 /nfs/dbraw/zinc/85/27/60/662852760.db2.gz DGDSEXMAHWVNAP-SCRDCRAPSA-N 1 0 302.440 0.405 10 0 DCAERO COC(=O)N1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000729612659 662905307 /nfs/dbraw/zinc/90/53/07/662905307.db2.gz ZWGXCQINVRIPLG-CYBMUJFWSA-N 1 0 321.381 0.445 10 0 DCAERO Cc1nc2c(nccc2C(=O)NCCCN2CC[NH+](C)CC2)[nH]1 ZINC000436085944 663415129 /nfs/dbraw/zinc/41/51/29/663415129.db2.gz HADPEGOLLIOBPS-UHFFFAOYSA-N 1 0 316.409 0.634 10 0 DCAERO Cc1ncc(S(=O)(=O)NCCN2CCC([NH3+])CC2)s1 ZINC000721893983 663512765 /nfs/dbraw/zinc/51/27/65/663512765.db2.gz ZCXXURQRCXWNGW-UHFFFAOYSA-N 1 0 304.441 0.153 10 0 DCAERO Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@]3(F)CC[NH2+]C3)C2)n1 ZINC000168202548 664521055 /nfs/dbraw/zinc/52/10/55/664521055.db2.gz YFSBQHHOJHEVQQ-ZFWWWQNUSA-N 1 0 309.389 0.835 10 0 DCAERO C(c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578147 664536328 /nfs/dbraw/zinc/53/63/28/664536328.db2.gz XHQMTUXBQUBGFX-TUAOUCFPSA-N 1 0 310.423 0.853 10 0 DCAERO O=C1NC2(CCCCC2)C(=O)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503614 664622232 /nfs/dbraw/zinc/62/22/32/664622232.db2.gz LBQVDYHGOOFYRT-CYBMUJFWSA-N 1 0 306.410 0.979 10 0 DCAERO CCn1cc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)nc1C ZINC000063168066 664626335 /nfs/dbraw/zinc/62/63/35/664626335.db2.gz NSTYAJUCEQDJDH-LBPRGKRZSA-N 1 0 300.428 0.974 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000193618965 664921589 /nfs/dbraw/zinc/92/15/89/664921589.db2.gz JFVLYEPGJUFEHZ-GFCCVEGCSA-N 1 0 319.409 0.824 10 0 DCAERO C[NH+](C)CCCCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000733162236 665078199 /nfs/dbraw/zinc/07/81/99/665078199.db2.gz WDWYPKWRKGMUGR-UHFFFAOYSA-N 1 0 306.410 0.990 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352326788 665168711 /nfs/dbraw/zinc/16/87/11/665168711.db2.gz 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/nfs/dbraw/zinc/15/25/86/670152586.db2.gz JRYCADSFUAMPJR-LLVKDONJSA-N 1 0 305.444 0.148 10 0 DCAERO O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000713101320 670153399 /nfs/dbraw/zinc/15/33/99/670153399.db2.gz WKOKZJHZESWQCF-YVECIDJPSA-N 1 0 300.424 0.615 10 0 DCAERO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000193104840 670239468 /nfs/dbraw/zinc/23/94/68/670239468.db2.gz JEVJXMXLJCXYSX-MRXNPFEDSA-N 1 0 319.405 0.447 10 0 DCAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000193335066 670269214 /nfs/dbraw/zinc/26/92/14/670269214.db2.gz POAZFQBABMHWOW-SECBINFHSA-N 1 0 306.819 0.754 10 0 DCAERO CC(=O)N[C@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000113241082 670697958 /nfs/dbraw/zinc/69/79/58/670697958.db2.gz HUYNSEVYAIVQEH-CABCVRRESA-N 1 0 316.405 0.956 10 0 DCAERO [NH3+]C[C@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1C(F)(F)F ZINC000720857846 685316314 /nfs/dbraw/zinc/31/63/14/685316314.db2.gz GDAPFSSRUMYVSZ-YUMQZZPRSA-N 1 0 311.329 0.115 10 0 DCAERO 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1177244591 /nfs/dbraw/zinc/24/45/91/1177244591.db2.gz NWJYIIMSPRHZHF-BXUZGUMPSA-N 1 0 313.402 0.687 10 0 DCAERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ncccn2)C1 ZINC000246548532 1183116332 /nfs/dbraw/zinc/11/63/32/1183116332.db2.gz LHXINFWBCMDWCT-DGCLKSJQSA-N 1 0 305.382 0.604 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000249828895 1183484974 /nfs/dbraw/zinc/48/49/74/1183484974.db2.gz MRJANRSVWUZHCK-NEPJUHHUSA-N 1 0 310.398 0.211 10 0 DCAERO O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)N1CCOCC1 ZINC000403547848 774106999 /nfs/dbraw/zinc/10/69/99/774106999.db2.gz JNPJNMRUBIFCCI-YHWZYXNKSA-N 1 0 320.480 0.665 10 0 DCAERO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000405331282 774160386 /nfs/dbraw/zinc/16/03/86/774160386.db2.gz CGUNLAKXSPFDLR-GFCCVEGCSA-N 1 0 308.350 0.479 10 0 DCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000178744457 295664374 /nfs/dbraw/zinc/66/43/74/295664374.db2.gz VCNWTYBWKCFCQR-GJZGRUSLSA-N 1 0 316.405 0.945 10 0 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C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091366888 193047983 /nfs/dbraw/zinc/04/79/83/193047983.db2.gz QSONJSQZCGHFRY-ZWNOBZJWSA-N 1 0 316.448 0.853 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544140 193071524 /nfs/dbraw/zinc/07/15/24/193071524.db2.gz ISVDPZLYYAGRCA-WOPDTQHZSA-N 1 0 303.428 0.044 10 0 DCAERO CCN(C)C(=O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000188471139 284278770 /nfs/dbraw/zinc/27/87/70/284278770.db2.gz NLSGANXFBXZDTL-HNNXBMFYSA-N 1 0 320.437 0.937 10 0 DCAERO COc1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)c(OC)c1 ZINC000020008579 182177089 /nfs/dbraw/zinc/17/70/89/182177089.db2.gz MUFZQVINBOKXAY-JTQLQIEISA-N 1 0 302.396 0.904 10 0 DCAERO C[C@@H](c1nnnn1C)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000189721254 296247193 /nfs/dbraw/zinc/24/71/93/296247193.db2.gz IADWZPJFXHDJTH-KBPBESRZSA-N 1 0 307.446 0.373 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCN1CCOCC1 ZINC000105148579 194080016 /nfs/dbraw/zinc/08/00/16/194080016.db2.gz 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ZINC000216517861 256593332 /nfs/dbraw/zinc/59/33/32/256593332.db2.gz GSRXIZPFSAHABD-RDBSUJKOSA-N 1 0 307.456 0.967 10 0 DCAERO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@H](C(=O)NC4CC4)CC[C@@H]32)cn1 ZINC000248160555 257106827 /nfs/dbraw/zinc/10/68/27/257106827.db2.gz XKSBUZMFSBUBAV-KKUMJFAQSA-N 1 0 304.394 0.821 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NCC3CC3)C2)cn1 ZINC000248114164 257109392 /nfs/dbraw/zinc/10/93/92/257109392.db2.gz ICVGMKJWFVLHCY-OAGGEKHMSA-N 1 0 318.421 0.783 10 0 DCAERO CN(C)C(=O)COC[C@H]1C[N@@H+](C2CCCC2)Cc2nnn(C)c21 ZINC000248027702 257111804 /nfs/dbraw/zinc/11/18/04/257111804.db2.gz SNYMCXJJULVKOW-GFCCVEGCSA-N 1 0 321.425 0.762 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000247546846 257119023 /nfs/dbraw/zinc/11/90/23/257119023.db2.gz UUNPTVGQHGJXKB-UONOGXRCSA-N 1 0 311.407 0.079 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1cccs1)C2 ZINC000247530564 257119049 /nfs/dbraw/zinc/11/90/49/257119049.db2.gz OQPUZDRXAXYBKB-WCQYABFASA-N 1 0 316.448 0.746 10 0 DCAERO Fc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC000299842008 257103746 /nfs/dbraw/zinc/10/37/46/257103746.db2.gz IFZOVFMXGKXOTN-CHWSQXEVSA-N 1 0 316.340 0.748 10 0 DCAERO C[NH+](C)CCOCc1nnc2n1CCN(c1cnccn1)CC2 ZINC000096084567 257135242 /nfs/dbraw/zinc/13/52/42/257135242.db2.gz XASRZTNXUAOTQU-UHFFFAOYSA-N 1 0 317.397 0.209 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C1 ZINC000408272292 285393946 /nfs/dbraw/zinc/39/39/46/285393946.db2.gz BKFIYCPVMTUKKD-SRVKXCTJSA-N 1 0 305.444 0.113 10 0 DCAERO C[C@@H](O)CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)CO ZINC000190760114 533630846 /nfs/dbraw/zinc/63/08/46/533630846.db2.gz AKEKEGZZFSYMCY-LMRVLLHPSA-N 1 0 315.458 0.880 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc4nnc(C(F)F)n4n3)[C@H]2C1 ZINC000284452339 131081652 /nfs/dbraw/zinc/08/16/52/131081652.db2.gz CXXPMBKZXXWPBO-UWVGGRQHSA-N 1 0 324.335 0.971 10 0 DCAERO CCNC(=O)c1ccc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)nc1 ZINC000284682647 131103499 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CCC[NH+]1CCC(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000193881862 395780985 /nfs/dbraw/zinc/78/09/85/395780985.db2.gz LNCWLXCUYATZNY-LBPRGKRZSA-N 1 0 319.471 0.505 10 0 DCAERO CS(=O)(=O)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194107049 395788291 /nfs/dbraw/zinc/78/82/91/395788291.db2.gz FMIOOYXSPANJNE-MGPQQGTHSA-N 1 0 317.451 0.985 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000193590130 395772866 /nfs/dbraw/zinc/77/28/66/395772866.db2.gz KBWLFOAUTTTYHE-XHDPSFHLSA-N 1 0 305.378 0.426 10 0 DCAERO C[N@H+]1C[C@H]2CN(CC(=O)NC(=O)NCc3cccs3)C[C@H]2C1 ZINC000193637344 395775475 /nfs/dbraw/zinc/77/54/75/395775475.db2.gz UUYYVXDMOSTWRF-TXEJJXNPSA-N 1 0 322.434 0.567 10 0 DCAERO C[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000111286244 395806265 /nfs/dbraw/zinc/80/62/65/395806265.db2.gz ICMSXFVTQMFSMO-RYUDHWBXSA-N 1 0 311.426 0.205 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cnn(C)c3)CC2)CCO1 ZINC000194826556 395809447 /nfs/dbraw/zinc/80/94/47/395809447.db2.gz BAGNUBRSGRVUNM-CYBMUJFWSA-N 1 0 306.410 0.674 10 0 DCAERO COc1ccc(OCC[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000111682983 395812324 /nfs/dbraw/zinc/81/23/24/395812324.db2.gz MAFOBGHQMPERHD-CQSZACIVSA-N 1 0 322.405 0.989 10 0 DCAERO Cn1c2ccc(CN3CC[NH+](CCO)CC3)cc2sc1=O ZINC000194965572 395812657 /nfs/dbraw/zinc/81/26/57/395812657.db2.gz MASVQZZFVPUFEK-UHFFFAOYSA-N 1 0 307.419 0.710 10 0 DCAERO NS(=O)(=O)Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195190806 395821014 /nfs/dbraw/zinc/82/10/14/395821014.db2.gz XEIHDKTXVRUUCF-AWEZNQCLSA-N 1 0 323.418 0.395 10 0 DCAERO Cc1ccc2ncc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c(=O)n2c1 ZINC000195328655 395824942 /nfs/dbraw/zinc/82/49/42/395824942.db2.gz VHNULEKXOBINHU-CYBMUJFWSA-N 1 0 312.373 0.923 10 0 DCAERO CCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)s1 ZINC000049044892 395827094 /nfs/dbraw/zinc/82/70/94/395827094.db2.gz YECOQSFLYSOERQ-UHFFFAOYSA-N 1 0 317.436 0.021 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505892 395829711 /nfs/dbraw/zinc/82/97/11/395829711.db2.gz OROBGEKDRDABDM-ZDUSSCGKSA-N 1 0 319.409 0.313 10 0 DCAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)no1 ZINC000195518365 395830134 /nfs/dbraw/zinc/83/01/34/395830134.db2.gz PHFDCMKQYRHPEA-NSHDSACASA-N 1 0 309.370 0.608 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000118106660 395859799 /nfs/dbraw/zinc/85/97/99/395859799.db2.gz ZOPRLQSJSOJTNH-JTQLQIEISA-N 1 0 322.340 0.074 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCO1 ZINC000116783369 395845331 /nfs/dbraw/zinc/84/53/31/395845331.db2.gz OJYZOWYLDLLTSG-CYBMUJFWSA-N 1 0 319.405 0.656 10 0 DCAERO COc1ccccc1NCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116784952 395845656 /nfs/dbraw/zinc/84/56/56/395845656.db2.gz ZPUACRXJSCLTAT-CYBMUJFWSA-N 1 0 307.394 0.896 10 0 DCAERO Cc1nn(C)c(Cl)c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116795929 395846070 /nfs/dbraw/zinc/84/60/70/395846070.db2.gz 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396090013 /nfs/dbraw/zinc/09/00/13/396090013.db2.gz HCYARWSACWWNKT-FOSCPWQOSA-N 1 0 311.407 0.994 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCCCC2)nc1 ZINC000262076879 396095929 /nfs/dbraw/zinc/09/59/29/396095929.db2.gz CDMSMVZJUKBDAL-GJZGRUSLSA-N 1 0 318.421 0.772 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000262095137 396098300 /nfs/dbraw/zinc/09/83/00/396098300.db2.gz BFXPJCYGVCBSLO-UHFFFAOYSA-N 1 0 312.391 0.812 10 0 DCAERO Cc1nc2ccccc2n1CCNC(=O)C1([NH3+])CCOCC1 ZINC000262105341 396099822 /nfs/dbraw/zinc/09/98/22/396099822.db2.gz JGOVRTHFBPSLGD-UHFFFAOYSA-N 1 0 302.378 0.969 10 0 DCAERO COc1ccc(CN2CC[C@@H](NC(=O)C3C[NH2+]C3)C2=O)cc1 ZINC000262159205 396105707 /nfs/dbraw/zinc/10/57/07/396105707.db2.gz AUHLMNHDWYHYBZ-CQSZACIVSA-N 1 0 303.362 0.132 10 0 DCAERO C[NH2+]CCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000262254059 396115720 /nfs/dbraw/zinc/11/57/20/396115720.db2.gz SXHZESGJFUITFT-UHFFFAOYSA-N 1 0 311.332 0.859 10 0 DCAERO 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/nfs/dbraw/zinc/17/21/78/396172178.db2.gz XUWPNOZTWHKTDH-WTUNAVPPSA-N 1 0 308.426 0.874 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262692741 396173167 /nfs/dbraw/zinc/17/31/67/396173167.db2.gz AHPWXVIOKUHDKP-RISCZKNCSA-N 1 0 314.389 0.733 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262730947 396176556 /nfs/dbraw/zinc/17/65/56/396176556.db2.gz HYGRJJRCWHDLTO-YNEHKIRRSA-N 1 0 317.455 0.305 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000262745058 396177826 /nfs/dbraw/zinc/17/78/26/396177826.db2.gz DJTBKYOYYFLOPC-GHMZBOCLSA-N 1 0 311.407 0.417 10 0 DCAERO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1N1CCOCC1 ZINC000178861240 396211477 /nfs/dbraw/zinc/21/14/77/396211477.db2.gz KWZIEQZFPCELOR-BBRMVZONSA-N 1 0 303.406 0.938 10 0 DCAERO Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177678519 396181300 /nfs/dbraw/zinc/18/13/00/396181300.db2.gz KRZRTMLBIOQNOP-CYBMUJFWSA-N 1 0 323.368 0.862 10 0 DCAERO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178295422 396192581 /nfs/dbraw/zinc/19/25/81/396192581.db2.gz GDVNRGXRZHHKHX-CYBMUJFWSA-N 1 0 308.382 0.335 10 0 DCAERO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)CN1CCOCC1 ZINC000263291932 396212111 /nfs/dbraw/zinc/21/21/11/396212111.db2.gz WOYNQYBXPYUFAT-QXSJWSMHSA-N 1 0 309.454 0.992 10 0 DCAERO C[C@H](CNC(=O)Cn1cnc2c1ncnc2N)C[NH+]1CCCC1 ZINC000264445217 396281342 /nfs/dbraw/zinc/28/13/42/396281342.db2.gz RLSUUMMPLJCBPU-LLVKDONJSA-N 1 0 317.397 0.257 10 0 DCAERO CC[C@H]1CN(C(=O)NCCn2cc(C)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000181784323 396242066 /nfs/dbraw/zinc/24/20/66/396242066.db2.gz CNKSVXDFZLYDMH-CABCVRRESA-N 1 0 323.441 0.678 10 0 DCAERO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(-n2ccnn2)cc1 ZINC000182019248 396245575 /nfs/dbraw/zinc/24/55/75/396245575.db2.gz YBTIRYJEZCJCMW-LLVKDONJSA-N 1 0 314.349 0.470 10 0 DCAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182038518 396246178 /nfs/dbraw/zinc/24/61/78/396246178.db2.gz DCLIVVLHJHCZFB-JTQLQIEISA-N 1 0 302.338 0.374 10 0 DCAERO CCCc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)n2ncnc2n1 ZINC000078523919 396246888 /nfs/dbraw/zinc/24/68/88/396246888.db2.gz LRICHRZEEGMOLN-AWEZNQCLSA-N 1 0 318.425 0.970 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000079920142 396272307 /nfs/dbraw/zinc/27/23/07/396272307.db2.gz JZWYVAAHDOHXTE-MRXNPFEDSA-N 1 0 305.378 0.880 10 0 DCAERO Cn1ccc(CC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000183694554 396273439 /nfs/dbraw/zinc/27/34/39/396273439.db2.gz HFTDORHWEHHTDL-MRXNPFEDSA-N 1 0 319.453 0.591 10 0 DCAERO CC(C)[N@@H+]1CCCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000264380594 396275449 /nfs/dbraw/zinc/27/54/49/396275449.db2.gz CFGLDZODCPEJGZ-UHFFFAOYSA-N 1 0 317.397 0.351 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)co1 ZINC000178886770 396213062 /nfs/dbraw/zinc/21/30/62/396213062.db2.gz UIUQMNIKNGEBEB-NSHDSACASA-N 1 0 313.379 0.108 10 0 DCAERO COc1cc(OC)cc(N2CC[C@H](NC(=O)C3C[NH2+]C3)C2=O)c1 ZINC000263318405 396213400 /nfs/dbraw/zinc/21/34/00/396213400.db2.gz QUCKBYZTYAULQH-AWEZNQCLSA-N 1 0 319.361 0.145 10 0 DCAERO CC[C@H](CO)N1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183994110 396280098 /nfs/dbraw/zinc/28/00/98/396280098.db2.gz IXGIXZUBKQGUAE-CYBMUJFWSA-N 1 0 306.410 0.676 10 0 DCAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000263443012 396216992 /nfs/dbraw/zinc/21/69/92/396216992.db2.gz QEWWLFRWTXYRFG-UHFFFAOYSA-N 1 0 320.393 0.815 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179064017 396220281 /nfs/dbraw/zinc/22/02/81/396220281.db2.gz WZHHGOQFHBXGBX-ZWNOBZJWSA-N 1 0 311.407 0.476 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)C[C@H]1C ZINC000184998629 396313266 /nfs/dbraw/zinc/31/32/66/396313266.db2.gz NQCWKOXQWZDXPO-CHWSQXEVSA-N 1 0 319.409 0.962 10 0 DCAERO CS(=O)(=O)N[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184201984 396287507 /nfs/dbraw/zinc/28/75/07/396287507.db2.gz BNLHMMKWPFBFNA-LBPRGKRZSA-N 1 0 317.455 0.436 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000184309724 396289845 /nfs/dbraw/zinc/28/98/45/396289845.db2.gz YBBYANNKSHOWFM-YIZRAAEISA-N 1 0 304.803 0.431 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCS(=O)(=O)N(C)C ZINC000185428731 396327421 /nfs/dbraw/zinc/32/74/21/396327421.db2.gz YNOURTGXDQVKRJ-CYBMUJFWSA-N 1 0 319.471 0.649 10 0 DCAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCC(=O)OC(C)(C)C ZINC000185343741 396325346 /nfs/dbraw/zinc/32/53/46/396325346.db2.gz LNFCDPZVWHTQCF-LBPRGKRZSA-N 1 0 302.415 0.783 10 0 DCAERO Cc1cnn(CCNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000185735296 396333903 /nfs/dbraw/zinc/33/39/03/396333903.db2.gz JQVWESQJVYSYHR-OAHLLOKOSA-N 1 0 322.457 0.517 10 0 DCAERO CN(C(=O)[C@@H]1CNC(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268613022 396362177 /nfs/dbraw/zinc/36/21/77/396362177.db2.gz WTRQSRWVEAWKHT-GJZGRUSLSA-N 1 0 301.390 0.855 10 0 DCAERO O=C(Nc1ccc(-n2ccnn2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188482503 396382478 /nfs/dbraw/zinc/38/24/78/396382478.db2.gz BHXKIOUCRUZMEK-UHFFFAOYSA-N 1 0 309.333 0.888 10 0 DCAERO O=C(CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CCCc2ccccc21 ZINC000188429239 396382504 /nfs/dbraw/zinc/38/25/04/396382504.db2.gz GEVDAQQYBQWGAT-QWHCGFSZSA-N 1 0 305.353 0.782 10 0 DCAERO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501835 396382989 /nfs/dbraw/zinc/38/29/89/396382989.db2.gz FOUAPMMNAMFFMP-CQSZACIVSA-N 1 0 315.373 0.774 10 0 DCAERO O=C(NCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1ccc(F)cc1 ZINC000188548177 396383045 /nfs/dbraw/zinc/38/30/45/396383045.db2.gz MVSOBJGTRPYJQG-QWHCGFSZSA-N 1 0 311.332 0.762 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188673081 396384144 /nfs/dbraw/zinc/38/41/44/396384144.db2.gz NJYNGAIEVONQPU-AWEZNQCLSA-N 1 0 305.403 0.827 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188654972 396384202 /nfs/dbraw/zinc/38/42/02/396384202.db2.gz GKNNORFLAICZIW-UHFFFAOYSA-N 1 0 300.362 0.636 10 0 DCAERO NS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)o1 ZINC000188729498 396384869 /nfs/dbraw/zinc/38/48/69/396384869.db2.gz PQSZMRXFTMNTCY-UHFFFAOYSA-N 1 0 321.358 0.460 10 0 DCAERO C[C@@H]1CN(C(=O)CCOC2CCOCC2)CCN1CCO ZINC000188744967 396384915 /nfs/dbraw/zinc/38/49/15/396384915.db2.gz YUXXCGPUHXKKDS-CYBMUJFWSA-N 1 0 300.399 0.097 10 0 DCAERO CN(C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccco1 ZINC000188836813 396387162 /nfs/dbraw/zinc/38/71/62/396387162.db2.gz VUXXPLJWQIVWSH-GFCCVEGCSA-N 1 0 303.366 0.681 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000189650668 396397249 /nfs/dbraw/zinc/39/72/49/396397249.db2.gz BWZWSMLBJUPECA-LSDHHAIUSA-N 1 0 310.419 0.660 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000190951302 396413436 /nfs/dbraw/zinc/41/34/36/396413436.db2.gz OBBSOXRSKGCJBG-TZMCWYRMSA-N 1 0 319.409 0.610 10 0 DCAERO C[NH+](C)C1CCN(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000193232644 396446992 /nfs/dbraw/zinc/44/69/92/396446992.db2.gz HWRLCRFMIOMFDN-UHFFFAOYSA-N 1 0 310.442 0.141 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)oc1C ZINC000193397282 396450258 /nfs/dbraw/zinc/45/02/58/396450258.db2.gz GDCZFURRTXIODJ-LDYMZIIASA-N 1 0 316.379 0.651 10 0 DCAERO CCNS(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193435727 396451425 /nfs/dbraw/zinc/45/14/25/396451425.db2.gz LCWSFZQERNJTIY-GWCFXTLKSA-N 1 0 319.377 0.854 10 0 DCAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1cnn(C)c1 ZINC000581381442 396550209 /nfs/dbraw/zinc/55/02/09/396550209.db2.gz FTNCMGLRJMWEND-ZDUSSCGKSA-N 1 0 322.409 0.511 10 0 DCAERO COC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)[nH]1 ZINC000293972020 396644910 /nfs/dbraw/zinc/64/49/10/396644910.db2.gz QPUSPPMDTNINNT-OLZOCXBDSA-N 1 0 307.350 0.346 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000373930436 396624705 /nfs/dbraw/zinc/62/47/05/396624705.db2.gz ZMQJIFAARMPDJC-HUUCEWRRSA-N 1 0 322.453 0.271 10 0 DCAERO CC(C)CCC(=O)NCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000589691560 396722444 /nfs/dbraw/zinc/72/24/44/396722444.db2.gz OKXFMWMNSSCMRJ-UHFFFAOYSA-N 1 0 309.414 0.936 10 0 DCAERO CCCn1c(=O)[nH]nc1SC[C@H](O)C[N@H+](C)CCOC ZINC000313073404 396767996 /nfs/dbraw/zinc/76/79/96/396767996.db2.gz KKLWITYOIUUFRD-SNVBAGLBSA-N 1 0 304.416 0.013 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1CN(C(C)=O)C1CC1 ZINC000328629764 396827014 /nfs/dbraw/zinc/82/70/14/396827014.db2.gz IQIGTZULZWMHTH-AWEZNQCLSA-N 1 0 317.455 0.401 10 0 DCAERO COC(=O)[C@H](C)N(C[C@@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC000564836041 396877491 /nfs/dbraw/zinc/87/74/91/396877491.db2.gz FXZZTYDPSUGBGQ-NWANDNLSSA-N 1 0 315.410 0.959 10 0 DCAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000611578779 396889428 /nfs/dbraw/zinc/88/94/28/396889428.db2.gz VIDSOFBFIVHNLD-KKUMJFAQSA-N 1 0 315.410 0.961 10 0 DCAERO NC(=O)c1cc(NC(=O)NCCNc2cc[nH+]cc2)ccc1F ZINC000591553123 396927860 /nfs/dbraw/zinc/92/78/60/396927860.db2.gz YVADXTDLJFTTJC-UHFFFAOYSA-N 1 0 317.324 0.975 10 0 DCAERO CCCNC(=O)CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000569984859 396934046 /nfs/dbraw/zinc/93/40/46/396934046.db2.gz DPYOTWMSCRJOBD-GJZGRUSLSA-N 1 0 308.426 0.734 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)Cc2cc(C)on2)[C@](C)(C[NH3+])C1 ZINC000630368222 396998217 /nfs/dbraw/zinc/99/82/17/396998217.db2.gz QZPHXPBNBWGDNO-RYUDHWBXSA-N 1 0 303.384 0.251 10 0 DCAERO C[NH+]1CCN(C[C@@H]2CN(C(=O)N[C@H]3CC3(C)C)CCO2)CC1 ZINC000601270911 397038009 /nfs/dbraw/zinc/03/80/09/397038009.db2.gz BQCNYFBCASOZFM-KGLIPLIRSA-N 1 0 310.442 0.443 10 0 DCAERO C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCN1S(C)(=O)=O ZINC000618676551 397010147 /nfs/dbraw/zinc/01/01/47/397010147.db2.gz QHELDXXSMDIXTD-LLVKDONJSA-N 1 0 322.390 0.440 10 0 DCAERO CC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000601220164 397025357 /nfs/dbraw/zinc/02/53/57/397025357.db2.gz UWGPUQSCDJYEMX-OAHLLOKOSA-N 1 0 308.426 0.875 10 0 DCAERO COC(=O)C(C)(C)CC[NH2+]CCCN1CCCS1(=O)=O ZINC000619426676 397126676 /nfs/dbraw/zinc/12/66/76/397126676.db2.gz HRGDZHKKGXPTQS-UHFFFAOYSA-N 1 0 306.428 0.591 10 0 DCAERO 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/nfs/dbraw/zinc/33/25/96/397332596.db2.gz NQJGOFWDNDISKW-RHSMWYFYSA-N 1 0 301.390 0.903 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000408451821 397357778 /nfs/dbraw/zinc/35/77/78/397357778.db2.gz MXZLWMVSIDPDDS-LBPRGKRZSA-N 1 0 306.428 0.196 10 0 DCAERO C[C@H]1C[C@H]1N1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000370296853 397467434 /nfs/dbraw/zinc/46/74/34/397467434.db2.gz AJUSZTDYWRDHPE-VYDRJRHOSA-N 1 0 322.453 0.977 10 0 DCAERO C[N@H+](CCN1CCCC1=O)C[C@H](O)COC[C@H]1CCCO1 ZINC000602958587 397533688 /nfs/dbraw/zinc/53/36/88/397533688.db2.gz BOUWRXUXQIEOPA-UONOGXRCSA-N 1 0 300.399 0.097 10 0 DCAERO COC(=O)CSCCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000608869352 397758392 /nfs/dbraw/zinc/75/83/92/397758392.db2.gz AMAJGZCMZYHBLX-UHFFFAOYSA-N 1 0 314.411 0.680 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCCN(C(=O)C(C)C)CC2)[N@H+](C)C1 ZINC000408035587 286081681 /nfs/dbraw/zinc/08/16/81/286081681.db2.gz MUTQFKQQFYZKCB-KBPBESRZSA-N 1 0 311.426 0.422 10 0 DCAERO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC)C12CCOCC2 ZINC000186314498 286493621 /nfs/dbraw/zinc/49/36/21/286493621.db2.gz CICRPBPELXIGIL-OLZOCXBDSA-N 1 0 305.440 0.985 10 0 DCAERO C[C@H](NC(=O)CN1CCC([NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051953490 158015105 /nfs/dbraw/zinc/01/51/05/158015105.db2.gz DBYPHMNCKHOPKY-ZDUSSCGKSA-N 1 0 310.442 0.140 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075956809 158063473 /nfs/dbraw/zinc/06/34/73/158063473.db2.gz GDEMYLYQYYNDKQ-GJZGRUSLSA-N 1 0 315.458 0.306 10 0 DCAERO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000076053012 158063895 /nfs/dbraw/zinc/06/38/95/158063895.db2.gz PJZONVRHPJIZPB-ZFWWWQNUSA-N 1 0 324.469 0.528 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000076228964 158065307 /nfs/dbraw/zinc/06/53/07/158065307.db2.gz VQVXIIDOMWKTEA-CYBMUJFWSA-N 1 0 318.421 0.867 10 0 DCAERO CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085359718 158090674 /nfs/dbraw/zinc/09/06/74/158090674.db2.gz BIWKOUMHSNJECT-OLZOCXBDSA-N 1 0 317.455 0.434 10 0 DCAERO COCCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818588 158130065 /nfs/dbraw/zinc/13/00/65/158130065.db2.gz LNQVRZVNJWAVPY-OAHLLOKOSA-N 1 0 313.442 0.276 10 0 DCAERO CC(=O)NCCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867655 158130842 /nfs/dbraw/zinc/13/08/42/158130842.db2.gz YIEKGFJCBGFNQL-UHFFFAOYSA-N 1 0 321.425 0.981 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000105876532 158131138 /nfs/dbraw/zinc/13/11/38/158131138.db2.gz GLGAHEMDGDHULF-UHFFFAOYSA-N 1 0 320.437 0.924 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819022 158138520 /nfs/dbraw/zinc/13/85/20/158138520.db2.gz XXVPNVJAKDRKCB-CQSZACIVSA-N 1 0 324.425 0.115 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000111229434 158140460 /nfs/dbraw/zinc/14/04/60/158140460.db2.gz SYNRIFYBZUFWEL-ZDUSSCGKSA-N 1 0 322.409 0.853 10 0 DCAERO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887733 158167669 /nfs/dbraw/zinc/16/76/69/158167669.db2.gz GHBORPCVBITATO-XQQFMLRXSA-N 1 0 317.455 0.399 10 0 DCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000116888858 158167714 /nfs/dbraw/zinc/16/77/14/158167714.db2.gz HBPWQYURLVPHKZ-SECBINFHSA-N 1 0 304.334 0.579 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000119047791 158182961 /nfs/dbraw/zinc/18/29/61/158182961.db2.gz SBNDWWMKTMEVLY-BPCQOVAHSA-N 1 0 312.414 0.003 10 0 DCAERO C[NH+](C)C1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000120647645 158202059 /nfs/dbraw/zinc/20/20/59/158202059.db2.gz BRIJQLPPHJSJIN-UHFFFAOYSA-N 1 0 302.378 0.882 10 0 DCAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)cc1F ZINC000121555376 158212082 /nfs/dbraw/zinc/21/20/82/158212082.db2.gz GDIGVFQLROKZGY-SNVBAGLBSA-N 1 0 309.341 0.443 10 0 DCAERO Cn1nccc1CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000121845980 158215497 /nfs/dbraw/zinc/21/54/97/158215497.db2.gz ROTZZZBMWNMHOX-HNNXBMFYSA-N 1 0 308.426 0.922 10 0 DCAERO Cc1nc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000123488220 158230595 /nfs/dbraw/zinc/23/05/95/158230595.db2.gz RGCUSPSAIKYUDU-CYBMUJFWSA-N 1 0 307.398 0.620 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCn3cccn3)CC2)CCO1 ZINC000124279217 158239946 /nfs/dbraw/zinc/23/99/46/158239946.db2.gz HJDSIZKDDROFBN-CQSZACIVSA-N 1 0 306.410 0.985 10 0 DCAERO Cc1nc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000124791129 158246046 /nfs/dbraw/zinc/24/60/46/158246046.db2.gz PXWIQMCMYGONMR-PBWFPOADSA-N 1 0 319.409 0.761 10 0 DCAERO CC(C)CS(=O)(=O)CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000124814894 158248300 /nfs/dbraw/zinc/24/83/00/158248300.db2.gz KHAIPEOFZBIHTD-UHFFFAOYSA-N 1 0 304.456 1.000 10 0 DCAERO CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000126592822 158266202 /nfs/dbraw/zinc/26/62/02/158266202.db2.gz YKTJJCQIUQRUDM-NSHDSACASA-N 1 0 303.428 0.299 10 0 DCAERO C[NH+]1CCC(N2CCC(NC(=O)CC[S@](C)=O)CC2)CC1 ZINC000127457471 158272590 /nfs/dbraw/zinc/27/25/90/158272590.db2.gz HAZKFDGQUFGVEW-OAQYLSRUSA-N 1 0 315.483 0.430 10 0 DCAERO C[NH+](C)C1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000127892455 158276531 /nfs/dbraw/zinc/27/65/31/158276531.db2.gz JAMSMQLGKJUEQX-UHFFFAOYSA-N 1 0 316.405 0.998 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000133768528 158321705 /nfs/dbraw/zinc/32/17/05/158321705.db2.gz XTKBJVAAWLMIAO-CQSZACIVSA-N 1 0 311.407 0.452 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccnnc2)CC1 ZINC000151588470 158348721 /nfs/dbraw/zinc/34/87/21/158348721.db2.gz XVLMKANGRUOBKC-HNNXBMFYSA-N 1 0 303.410 0.719 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)no1 ZINC000168457362 158371876 /nfs/dbraw/zinc/37/18/76/158371876.db2.gz QIODXJIRTDROCR-NWDGAFQWSA-N 1 0 307.398 0.404 10 0 DCAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCOCC1 ZINC000171038225 158379466 /nfs/dbraw/zinc/37/94/66/158379466.db2.gz KXHUTTZPWCVPRP-LSDHHAIUSA-N 1 0 310.442 0.587 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)NCC(F)(F)F ZINC000171642472 158385559 /nfs/dbraw/zinc/38/55/59/158385559.db2.gz MHJHDGRCEYRVFL-SECBINFHSA-N 1 0 308.304 0.155 10 0 DCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171901483 158387754 /nfs/dbraw/zinc/38/77/54/158387754.db2.gz YXKNXLRXGVAOBR-GFCCVEGCSA-N 1 0 322.434 0.968 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@]1(CCO)CCOC1)C[NH+]1CCCC1 ZINC000177599039 158448495 /nfs/dbraw/zinc/44/84/95/158448495.db2.gz JLZMCEXQAIJGMY-GOEBONIOSA-N 1 0 313.442 0.807 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000189650687 158554392 /nfs/dbraw/zinc/55/43/92/158554392.db2.gz BWZWSMLBJUPECA-HUUCEWRRSA-N 1 0 310.419 0.660 10 0 DCAERO Cc1cc(N2CC[C@H](N3CCC[C@@H]([NH+](C)C)C3)C2=O)n(C)n1 ZINC000247707261 158685517 /nfs/dbraw/zinc/68/55/17/158685517.db2.gz ZEPUFWIKDUXSBM-KGLIPLIRSA-N 1 0 305.426 0.860 10 0 DCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@H]([NH3+])C2CCOCC2)no1 ZINC000261620033 158723412 /nfs/dbraw/zinc/72/34/12/158723412.db2.gz CDUVFUFWLYPIFN-CYBMUJFWSA-N 1 0 310.354 0.134 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CCO2)n1 ZINC000261647551 158725256 /nfs/dbraw/zinc/72/52/56/158725256.db2.gz DEWPSVNUWQIGHH-SOUVJXGZSA-N 1 0 321.425 0.640 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000261837867 158744412 /nfs/dbraw/zinc/74/44/12/158744412.db2.gz OXINPSILKXXELU-NSHDSACASA-N 1 0 321.425 0.980 10 0 DCAERO CCCC(=O)N[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261965997 158759867 /nfs/dbraw/zinc/75/98/67/158759867.db2.gz PZTRWUDUMAKWLX-ZDUSSCGKSA-N 1 0 311.426 0.649 10 0 DCAERO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262213992 158785272 /nfs/dbraw/zinc/78/52/72/158785272.db2.gz IYSQATGNKNQYFL-PWSUYJOCSA-N 1 0 302.296 0.944 10 0 DCAERO COc1ccc(CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262215393 158786716 /nfs/dbraw/zinc/78/67/16/158786716.db2.gz JAYFWWVSSFBGNX-STQMWFEESA-N 1 0 308.378 0.333 10 0 DCAERO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262312000 158796108 /nfs/dbraw/zinc/79/61/08/158796108.db2.gz QLPKGRYXXIJKNA-IUODEOHRSA-N 1 0 300.362 0.491 10 0 DCAERO O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262333288 158799405 /nfs/dbraw/zinc/79/94/05/158799405.db2.gz SLGLPENEHWAMLE-MNOVXSKESA-N 1 0 322.390 0.427 10 0 DCAERO CC(C)(NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262372582 158804773 /nfs/dbraw/zinc/80/47/73/158804773.db2.gz WGZZILPJFNATGE-YPMHNXCESA-N 1 0 320.393 0.283 10 0 DCAERO C[C@H]1CN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680450 159020468 /nfs/dbraw/zinc/02/04/68/159020468.db2.gz UOYFLBJWNWLAJF-GOEBONIOSA-N 1 0 308.426 0.429 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000328834298 159032875 /nfs/dbraw/zinc/03/28/75/159032875.db2.gz RZDCKHFRCZUTLT-LSDHHAIUSA-N 1 0 322.453 0.981 10 0 DCAERO COc1ccc2nc(CN3CC[C@H]4OCCN(C)[C@@H]4C3)[nH]c2n1 ZINC000328930117 159042794 /nfs/dbraw/zinc/04/27/94/159042794.db2.gz YYCVCUZUSIRSDX-CHWSQXEVSA-N 1 0 317.393 0.871 10 0 DCAERO C[N@@H+]1CCO[C@H]2CCN(c3ccc4nnc(C(F)F)n4n3)C[C@@H]21 ZINC000328961828 159047401 /nfs/dbraw/zinc/04/74/01/159047401.db2.gz QGMZTVOXIBXZNL-UWVGGRQHSA-N 1 0 324.335 0.971 10 0 DCAERO Cn1ncnc1[C@H]1COCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329105733 159062196 /nfs/dbraw/zinc/06/21/96/159062196.db2.gz HFCUKQHJPMPMCB-ZIAGYGMSSA-N 1 0 319.409 0.589 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000329368606 159086253 /nfs/dbraw/zinc/08/62/53/159086253.db2.gz ADCUVCXGBRGPFE-UONOGXRCSA-N 1 0 319.471 0.111 10 0 DCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC000329509725 159097766 /nfs/dbraw/zinc/09/77/66/159097766.db2.gz BHRJRWUFPRVRBF-RYUDHWBXSA-N 1 0 308.382 0.854 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)nc(=O)[nH]3)[C@H]2C1 ZINC000329509450 159097868 /nfs/dbraw/zinc/09/78/68/159097868.db2.gz BNHYTZUPTPZBQA-QWHCGFSZSA-N 1 0 306.366 0.426 10 0 DCAERO COc1cccc(CC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)n1 ZINC000330551363 159191591 /nfs/dbraw/zinc/19/15/91/159191591.db2.gz FPVOZGRQSSAODJ-KBPBESRZSA-N 1 0 307.394 0.810 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C2(C3CC3)CCOCC2)C1 ZINC000375700357 159811810 /nfs/dbraw/zinc/81/18/10/159811810.db2.gz DZEHNGPNEUPCIY-HNNXBMFYSA-N 1 0 323.437 0.662 10 0 DCAERO CC1CC[NH+](CCCNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407971366 160000020 /nfs/dbraw/zinc/00/00/20/160000020.db2.gz PBNOSSPBZNGGMS-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000407989231 160004387 /nfs/dbraw/zinc/00/43/87/160004387.db2.gz GLOJQDBDYKNDRG-QLFBSQMISA-N 1 0 323.437 0.709 10 0 DCAERO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408040589 160019869 /nfs/dbraw/zinc/01/98/69/160019869.db2.gz HXXZAQBXCPHCMX-RFQIPJPRSA-N 1 0 311.426 0.611 10 0 DCAERO CC1CCN(C(=O)C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000408043681 160020484 /nfs/dbraw/zinc/02/04/84/160020484.db2.gz YORWPPBFYHCIRK-KBPBESRZSA-N 1 0 309.410 0.176 10 0 DCAERO 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/nfs/dbraw/zinc/25/59/43/416255943.db2.gz KTFBTSNPBDHOKP-GFCCVEGCSA-N 1 0 302.440 0.800 10 0 DCAERO CCOC(=O)C[C@](C)([NH2+]C[C@H](O)CN1CCOCC1)C(C)C ZINC000186691796 416258380 /nfs/dbraw/zinc/25/83/80/416258380.db2.gz VVQVARQUZOFPOS-HOCLYGCPSA-N 1 0 316.442 0.637 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186869757 416259284 /nfs/dbraw/zinc/25/92/84/416259284.db2.gz KYBRJESTZDOXTB-GXFFZTMASA-N 1 0 311.407 0.370 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cn1 ZINC000193285709 416315027 /nfs/dbraw/zinc/31/50/27/416315027.db2.gz DNIIYCRQLLFBBN-GFCCVEGCSA-N 1 0 324.356 0.386 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)CNC(=O)CC2CCCC2)CC1 ZINC000358822383 416279619 /nfs/dbraw/zinc/27/96/19/416279619.db2.gz UXBUHPAJXJKUFX-UHFFFAOYSA-N 1 0 324.469 0.389 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000342123571 416283287 /nfs/dbraw/zinc/28/32/87/416283287.db2.gz WWZKJFGTANIWLN-YNEHKIRRSA-N 1 0 311.430 0.559 10 0 DCAERO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000247380429 416332685 /nfs/dbraw/zinc/33/26/85/416332685.db2.gz PTBORQITVFRBOQ-QJPTWQEYSA-N 1 0 305.444 0.447 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000247341398 416332738 /nfs/dbraw/zinc/33/27/38/416332738.db2.gz NNMHHICVJNMMAO-AGIUHOORSA-N 1 0 317.455 0.544 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000247484225 416332940 /nfs/dbraw/zinc/33/29/40/416332940.db2.gz WKFMYGBRAOYAKG-NXEZZACHSA-N 1 0 324.347 0.693 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000252691049 416334527 /nfs/dbraw/zinc/33/45/27/416334527.db2.gz WTIAQBZYIJFWJZ-LPWJVIDDSA-N 1 0 303.428 0.167 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000262276482 416336343 /nfs/dbraw/zinc/33/63/43/416336343.db2.gz LCXHLZXIGTVAEX-SECBINFHSA-N 1 0 304.293 0.887 10 0 DCAERO CC(C)[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000194373889 416322899 /nfs/dbraw/zinc/32/28/99/416322899.db2.gz GFKCDRHHMVFNDM-UHFFFAOYSA-N 1 0 319.409 0.697 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195305158 416325621 /nfs/dbraw/zinc/32/56/21/416325621.db2.gz POTFJRQRKIEAQM-TXEJJXNPSA-N 1 0 324.402 0.622 10 0 DCAERO CC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434421745 416477321 /nfs/dbraw/zinc/47/73/21/416477321.db2.gz XVFABOAEGVOSBH-CABCVRRESA-N 1 0 311.426 0.208 10 0 DCAERO COCCCn1ccc(NC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000436001773 416546293 /nfs/dbraw/zinc/54/62/93/416546293.db2.gz GXCISOJEZNEQHY-UHFFFAOYSA-N 1 0 318.381 0.970 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N(C)CCC[NH+](C)C)o1 ZINC000537213762 416555327 /nfs/dbraw/zinc/55/53/27/416555327.db2.gz QKAZJZRPPRCYJW-UHFFFAOYSA-N 1 0 303.384 0.211 10 0 DCAERO CCC[C@@H](C)C(=O)NCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000458851294 416508079 /nfs/dbraw/zinc/50/80/79/416508079.db2.gz UZTZNONDYMDZTM-CYBMUJFWSA-N 1 0 321.425 0.767 10 0 DCAERO NC(=O)CCC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000535046240 416513417 /nfs/dbraw/zinc/51/34/17/416513417.db2.gz ZKQYJLOYUPSQOH-HUUCEWRRSA-N 1 0 314.426 0.520 10 0 DCAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@](C)(O)C(=O)OC)CC2 ZINC000517254413 416795373 /nfs/dbraw/zinc/79/53/73/416795373.db2.gz CWCFPGBUPFLJDM-OUCADQQQSA-N 1 0 301.383 0.162 10 0 DCAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O)C1CC1 ZINC000369567344 416797079 /nfs/dbraw/zinc/79/70/79/416797079.db2.gz SPHXQUJVUHGUCT-ZDUSSCGKSA-N 1 0 308.382 0.014 10 0 DCAERO CCOCCS(=O)(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000631959497 416832415 /nfs/dbraw/zinc/83/24/15/416832415.db2.gz VLTCYMJMFDNCCG-UHFFFAOYSA-N 1 0 300.380 0.710 10 0 DCAERO C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000631968589 416838603 /nfs/dbraw/zinc/83/86/03/416838603.db2.gz VZVQQBBGEGELTL-IUCAKERBSA-N 1 0 312.420 0.907 10 0 DCAERO CCCN(C(=O)CN1CC[NH+](CC)CC1)[C@H](C)C(=O)OCC ZINC000444625507 416854672 /nfs/dbraw/zinc/85/46/72/416854672.db2.gz OXROPABKNDZKGR-CQSZACIVSA-N 1 0 313.442 0.814 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NCCc2ncn(C)n2)CC1 ZINC000445899170 416903106 /nfs/dbraw/zinc/90/31/06/416903106.db2.gz KRSFWHNAKYSKIF-UHFFFAOYSA-N 1 0 308.430 0.779 10 0 DCAERO COc1cc(Cl)ccc1S(=O)(=O)NCCOCCC[NH3+] ZINC000624407826 417032793 /nfs/dbraw/zinc/03/27/93/417032793.db2.gz UEPZLSXAGIWYGO-UHFFFAOYSA-N 1 0 322.814 0.992 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000378016475 417072806 /nfs/dbraw/zinc/07/28/06/417072806.db2.gz DSFIOAPGNMPYMQ-KBXIAJHMSA-N 1 0 322.453 0.977 10 0 DCAERO C[C@H]1CN(CC(=O)NC(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000448552078 417085473 /nfs/dbraw/zinc/08/54/73/417085473.db2.gz LADXTHLIAQHFQQ-CYBMUJFWSA-N 1 0 304.394 0.635 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C(N)=O ZINC000408052214 417138365 /nfs/dbraw/zinc/13/83/65/417138365.db2.gz AHPUHRUUWIJMRX-BNOWGMLFSA-N 1 0 309.410 0.210 10 0 DCAERO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)C1 ZINC000408081983 417141673 /nfs/dbraw/zinc/14/16/73/417141673.db2.gz FTSSBNDCYJTVEJ-BPLDGKMQSA-N 1 0 311.426 0.158 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000408063568 417135989 /nfs/dbraw/zinc/13/59/89/417135989.db2.gz VSDZGJVLQNIBGL-MCIONIFRSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408433561 417161730 /nfs/dbraw/zinc/16/17/30/417161730.db2.gz MPCHNJLUUGGNNO-RFGFWPKPSA-N 1 0 311.426 0.192 10 0 DCAERO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408135582 417143680 /nfs/dbraw/zinc/14/36/80/417143680.db2.gz YPNPLOWXWWQJHX-GFCCVEGCSA-N 1 0 310.398 0.167 10 0 DCAERO CC(C)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1=O ZINC000408381216 417158869 /nfs/dbraw/zinc/15/88/69/417158869.db2.gz IGGXVTIKNQHKMQ-AVGNSLFASA-N 1 0 317.455 0.446 10 0 DCAERO C[C@H]1CC[C@@H](CNC(=O)CC2(n3cnnn3)CCOCC2)[N@@H+]1C ZINC000621982028 417360641 /nfs/dbraw/zinc/36/06/41/417360641.db2.gz DMYWSDTXXSLRAN-STQMWFEESA-N 1 0 322.413 0.168 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)CC12COC2 ZINC000451132525 417302843 /nfs/dbraw/zinc/30/28/43/417302843.db2.gz IWPHXNNCMVQRDB-STQMWFEESA-N 1 0 310.394 0.414 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633038112 417331478 /nfs/dbraw/zinc/33/14/78/417331478.db2.gz NYFSRFXRJZRTRQ-JQWIXIFHSA-N 1 0 318.377 0.556 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000633196321 417389246 /nfs/dbraw/zinc/38/92/46/417389246.db2.gz PMYBBKRYFRLEHS-KFWWJZLASA-N 1 0 309.410 0.319 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000633196325 417389311 /nfs/dbraw/zinc/38/93/11/417389311.db2.gz PMYBBKRYFRLEHS-RRFJBIMHSA-N 1 0 309.410 0.319 10 0 DCAERO CCn1nccc1CC[N@@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000643813070 417382637 /nfs/dbraw/zinc/38/26/37/417382637.db2.gz ZEJDFHXLQYATFT-MRXNPFEDSA-N 1 0 308.426 0.751 10 0 DCAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000638682176 417534992 /nfs/dbraw/zinc/53/49/92/417534992.db2.gz SKXKJIOHMZFQAX-XQHKEYJVSA-N 1 0 300.424 0.682 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1COCCN1 ZINC000638833721 417565861 /nfs/dbraw/zinc/56/58/61/417565861.db2.gz BMYVCUDAFOQFAH-HYVNUMGLSA-N 1 0 317.433 0.859 10 0 DCAERO CO[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000530460783 417576184 /nfs/dbraw/zinc/57/61/84/417576184.db2.gz UZJIEYBFISLEON-LSDHHAIUSA-N 1 0 312.458 0.881 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC000456066099 417622611 /nfs/dbraw/zinc/62/26/11/417622611.db2.gz SEYHUSFFSRKDBA-NEPJUHHUSA-N 1 0 305.444 0.305 10 0 DCAERO CC[C@@](COC)(NC(=O)CC1CC[NH+](C)CC1)C(=O)OC ZINC000457298532 417703233 /nfs/dbraw/zinc/70/32/33/417703233.db2.gz WHFZHFPNRTYLBJ-HNNXBMFYSA-N 1 0 300.399 0.803 10 0 DCAERO Cn1cnc(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000440880951 287411158 /nfs/dbraw/zinc/41/11/58/287411158.db2.gz ZSZKKIPNBZAMES-UHFFFAOYSA-N 1 0 308.430 0.777 10 0 DCAERO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743302 417883414 /nfs/dbraw/zinc/88/34/14/417883414.db2.gz XDLVCZKTPDYCJY-DLBZAZTESA-N 1 0 316.449 0.528 10 0 DCAERO O=C(CCNS(=O)(=O)c1cccs1)NC[C@H]1CC[NH2+]C1 ZINC000648109506 418099828 /nfs/dbraw/zinc/09/98/28/418099828.db2.gz UTQADWUPUSQYPP-JTQLQIEISA-N 1 0 317.436 0.142 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000229592864 545947179 /nfs/dbraw/zinc/94/71/79/545947179.db2.gz ANNARSYFEGKSDS-SCZZXKLOSA-N 1 0 310.379 0.275 10 0 DCAERO CNC(=O)[C@@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000183655341 261116487 /nfs/dbraw/zinc/11/64/87/261116487.db2.gz VYHPVSCKEZCLBI-HOCLYGCPSA-N 1 0 322.405 0.989 10 0 DCAERO C[C@@H]1C(=O)N(C)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187250499 261123020 /nfs/dbraw/zinc/12/30/20/261123020.db2.gz JMSMICOTASOMJY-IYXRBSQSSA-N 1 0 310.442 0.979 10 0 DCAERO CCc1cnc(CCNC(=O)NCC[N@H+](CC)CCO)s1 ZINC000187336679 261123900 /nfs/dbraw/zinc/12/39/00/261123900.db2.gz FMBPUZRANZYFRX-UHFFFAOYSA-N 1 0 314.455 0.861 10 0 DCAERO CC(=O)NC1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000189750752 261133425 /nfs/dbraw/zinc/13/34/25/261133425.db2.gz MWVQTBOVDCRHSB-TXEJJXNPSA-N 1 0 312.414 0.016 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000190377338 261134556 /nfs/dbraw/zinc/13/45/56/261134556.db2.gz IETIHVKEIXVOOL-QWHCGFSZSA-N 1 0 306.410 0.987 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1nc2ncccn2n1 ZINC000193512477 261142631 /nfs/dbraw/zinc/14/26/31/261142631.db2.gz YMDPNDKXQUAKGI-GFCCVEGCSA-N 1 0 304.398 0.759 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CCOC)c2)C1 ZINC000194159877 261144996 /nfs/dbraw/zinc/14/49/96/261144996.db2.gz BRHMNIWKFQPKFI-LBPRGKRZSA-N 1 0 323.397 0.069 10 0 DCAERO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000234600822 261155149 /nfs/dbraw/zinc/15/51/49/261155149.db2.gz SARCSXGVMUMFDZ-QWHCGFSZSA-N 1 0 318.439 0.684 10 0 DCAERO 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HOYFOZUOVICTSM-ILXRZTDVSA-N 1 0 313.442 0.059 10 0 DCAERO C[NH+](C)C1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000408122913 282052143 /nfs/dbraw/zinc/05/21/43/282052143.db2.gz MEKBYERWOMEWDX-UHFFFAOYSA-N 1 0 305.444 0.368 10 0 DCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333676092 289046072 /nfs/dbraw/zinc/04/60/72/289046072.db2.gz OAAKYIVMKUTGSO-RBSFLKMASA-N 1 0 310.442 0.633 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333765632 289250576 /nfs/dbraw/zinc/25/05/76/289250576.db2.gz QDJMZHOWUUZZIZ-QVHKTLOISA-N 1 0 323.437 0.205 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000125083455 289314021 /nfs/dbraw/zinc/31/40/21/289314021.db2.gz CQKFAFHPBDZMHJ-GHMZBOCLSA-N 1 0 305.444 0.113 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178613054 289770952 /nfs/dbraw/zinc/77/09/52/289770952.db2.gz UWDNKSIGONCJBI-DZGCQCFKSA-N 1 0 303.406 0.931 10 0 DCAERO 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/nfs/dbraw/zinc/22/25/98/300222598.db2.gz AHQGVKFULWJXIL-RYUDHWBXSA-N 1 0 317.455 0.209 10 0 DCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000332827290 332879736 /nfs/dbraw/zinc/87/97/36/332879736.db2.gz LPDNBCNTATZYGJ-DGCLKSJQSA-N 1 0 307.398 0.506 10 0 DCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000170873664 332891496 /nfs/dbraw/zinc/89/14/96/332891496.db2.gz HFPKWZRUUIZPPQ-SECBINFHSA-N 1 0 310.379 0.181 10 0 DCAERO CNC(=O)c1cccc(OCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000582096900 333215838 /nfs/dbraw/zinc/21/58/38/333215838.db2.gz IGCKHHQVLQYSPH-OKILXGFUSA-N 1 0 317.389 0.445 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000570954405 333255165 /nfs/dbraw/zinc/25/51/65/333255165.db2.gz MMHKLPWSDILTQT-KWCYVHTRSA-N 1 0 309.410 0.223 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000570954407 333255313 /nfs/dbraw/zinc/25/53/13/333255313.db2.gz MMHKLPWSDILTQT-XBFCOCLRSA-N 1 0 309.410 0.223 10 0 DCAERO COC[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000583712194 337218319 /nfs/dbraw/zinc/21/83/19/337218319.db2.gz LJTCQXCSRINAGD-FFHGMXDLSA-N 1 0 323.437 0.613 10 0 DCAERO COc1nc2c(ncn2[C@@H]2CCCO2)c(N2CC[NH+](C)CC2)n1 ZINC000584662044 337378396 /nfs/dbraw/zinc/37/83/96/337378396.db2.gz SABFRPAUDPYOOL-NSHDSACASA-N 1 0 318.381 0.896 10 0 DCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000576511435 341849930 /nfs/dbraw/zinc/84/99/30/341849930.db2.gz JZZKOKLLOBQJKR-QWHCGFSZSA-N 1 0 308.444 0.035 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000193205749 533965843 /nfs/dbraw/zinc/96/58/43/533965843.db2.gz BHRGPURYYLDLBN-RYUDHWBXSA-N 1 0 307.460 0.518 10 0 DCAERO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262545781 519050087 /nfs/dbraw/zinc/05/00/87/519050087.db2.gz RYPWMFCQJMJPSZ-QLFBSQMISA-N 1 0 306.406 0.857 10 0 DCAERO CC(=O)NC1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000190120727 519648491 /nfs/dbraw/zinc/64/84/91/519648491.db2.gz CYUINEVVYLGKGB-UHFFFAOYSA-N 1 0 322.384 0.917 10 0 DCAERO CC(C)[C@@H]([NH2+]CCN1CCOC[C@@H]1C)C(=O)N1CCOCC1 ZINC000249636134 519799037 /nfs/dbraw/zinc/79/90/37/519799037.db2.gz WPGPPPILGWOVFK-LSDHHAIUSA-N 1 0 313.442 0.180 10 0 DCAERO CC(C)[C@@H](O)CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000162694881 519800227 /nfs/dbraw/zinc/80/02/27/519800227.db2.gz AQRVBAHFYHKJKL-IRXDYDNUSA-N 1 0 320.433 0.929 10 0 DCAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000105797695 519888402 /nfs/dbraw/zinc/88/84/02/519888402.db2.gz FLTAFNYAGIZJBC-OLZOCXBDSA-N 1 0 320.441 0.991 10 0 DCAERO CCN(CCC[NH+](C)C)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000191601676 521006838 /nfs/dbraw/zinc/00/68/38/521006838.db2.gz PZSUWRYZFXLVGO-UHFFFAOYSA-N 1 0 310.402 0.435 10 0 DCAERO CC[N@H+](CCCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000266557732 521038361 /nfs/dbraw/zinc/03/83/61/521038361.db2.gz MEYQBIOSQWQOPI-LBPRGKRZSA-N 1 0 306.362 0.348 10 0 DCAERO 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ZINC000246566701 545965769 /nfs/dbraw/zinc/96/57/69/545965769.db2.gz BDGQGXGBBFSSEM-BJJXKVORSA-N 1 0 316.405 0.669 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccn1Cc1cccs1 ZINC000262092715 545978460 /nfs/dbraw/zinc/97/84/60/545978460.db2.gz DDLKZJCJEUCSSB-BXUZGUMPSA-N 1 0 305.403 0.908 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262089175 545978552 /nfs/dbraw/zinc/97/85/52/545978552.db2.gz CVGWNYPSFDPINH-CWRNSKLLSA-N 1 0 320.389 0.555 10 0 DCAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262060654 545978573 /nfs/dbraw/zinc/97/85/73/545978573.db2.gz AUJFXTGPERWZQF-FPMFFAJLSA-N 1 0 311.426 0.158 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000262119284 545979292 /nfs/dbraw/zinc/97/92/92/545979292.db2.gz FVASATMRJUTUDU-ZBFHGGJFSA-N 1 0 303.406 0.987 10 0 DCAERO CC(=O)N(CCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000262137063 545979403 /nfs/dbraw/zinc/97/94/03/545979403.db2.gz GVQYQQOQTPLGMX-HOTGVXAUSA-N 1 0 319.405 0.122 10 0 DCAERO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262148590 545980094 /nfs/dbraw/zinc/98/00/94/545980094.db2.gz HQCMPMDOCMWJBH-ZFWWWQNUSA-N 1 0 315.373 0.889 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1Cn1cccn1 ZINC000262154363 545980113 /nfs/dbraw/zinc/98/01/13/545980113.db2.gz HYXWHLVTIPNPSP-UKRRQHHQSA-N 1 0 300.362 0.242 10 0 DCAERO COc1ccc(Cl)cc1NCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262212408 545981197 /nfs/dbraw/zinc/98/11/97/545981197.db2.gz IXIUERUUYVHASI-CABZTGNLSA-N 1 0 313.785 0.457 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262272024 545981674 /nfs/dbraw/zinc/98/16/74/545981674.db2.gz NAWUQVMGODXXON-HZMBPMFUSA-N 1 0 320.780 0.836 10 0 DCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC(F)F ZINC000262308980 545983036 /nfs/dbraw/zinc/98/30/36/545983036.db2.gz QHZGZYHDFIGDKN-UWVGGRQHSA-N 1 0 316.304 0.607 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nnn1-c1ccc(C)cc1 ZINC000262296800 545983040 /nfs/dbraw/zinc/98/30/40/545983040.db2.gz PDRUKKGORLSYEA-JSGCOSHPSA-N 1 0 315.377 0.194 10 0 DCAERO COCc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262326451 545983663 /nfs/dbraw/zinc/98/36/63/545983663.db2.gz RWMOLTRCNOEKGZ-GWCFXTLKSA-N 1 0 304.346 0.889 10 0 DCAERO COCc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262326452 545983702 /nfs/dbraw/zinc/98/37/02/545983702.db2.gz RWMOLTRCNOEKGZ-GXFFZTMASA-N 1 0 304.346 0.889 10 0 DCAERO COc1cc(OC)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262362069 545984351 /nfs/dbraw/zinc/98/43/51/545984351.db2.gz VGYKYQSLUYQURJ-ONGXEEELSA-N 1 0 310.350 0.023 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nnc2n1CCC2 ZINC000332838578 546062129 /nfs/dbraw/zinc/06/21/29/546062129.db2.gz GYGICZYZSRINQM-NWDGAFQWSA-N 1 0 304.398 0.602 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000333685387 546088348 /nfs/dbraw/zinc/08/83/48/546088348.db2.gz ZZQJLTMVDGTNIA-STQMWFEESA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000333863907 546094526 /nfs/dbraw/zinc/09/45/26/546094526.db2.gz SQPCSPDENJVRBN-IHRRRGAJSA-N 1 0 320.441 0.559 10 0 DCAERO CN(C(=O)C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1)C1CCCCC1 ZINC000671551237 547246217 /nfs/dbraw/zinc/24/62/17/547246217.db2.gz UHCGBWJBYSXVCM-MRXNPFEDSA-N 1 0 321.425 0.506 10 0 DCAERO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)[C@H]1C(C)C ZINC000888094590 661162265 /nfs/dbraw/zinc/16/22/65/661162265.db2.gz DPYQAMAODIKCHA-XOUADPBQSA-N 1 0 321.425 0.264 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC000888095258 661166054 /nfs/dbraw/zinc/16/60/54/661166054.db2.gz SZPKIOLJGPRDAB-BQGCOEIASA-N 1 0 320.437 0.938 10 0 DCAERO O=C(N1CCOCC1)[C@@]12C[N@H+](Cc3ccon3)C[C@@H]1COCC2 ZINC000888097237 661176391 /nfs/dbraw/zinc/17/63/91/661176391.db2.gz FXPAGDUFXHRLRO-CJNGLKHVSA-N 1 0 321.377 0.372 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000262294754 657505780 /nfs/dbraw/zinc/50/57/80/657505780.db2.gz NGJLQCLWTVJOPX-MRXNPFEDSA-N 1 0 322.405 0.972 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000050253534 658173666 /nfs/dbraw/zinc/17/36/66/658173666.db2.gz IPJOKQSIMSBJPU-VIFPVBQESA-N 1 0 300.428 0.703 10 0 DCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724591012 658588484 /nfs/dbraw/zinc/58/84/84/658588484.db2.gz LDJSCBVDFPIAGJ-HTOAHKCRSA-N 1 0 303.424 0.736 10 0 DCAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CCc2cccnc2)C1 ZINC000888077744 658720628 /nfs/dbraw/zinc/72/06/28/658720628.db2.gz SBIQBEYNZQNFJQ-INIZCTEOSA-N 1 0 301.394 0.822 10 0 DCAERO CC1([C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)OCCO1 ZINC000248467503 659222088 /nfs/dbraw/zinc/22/20/88/659222088.db2.gz SVVVWJCQCOSXQQ-GJZGRUSLSA-N 1 0 314.426 0.155 10 0 DCAERO O=C(Cc1[nH]nc2c1CCCC2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000189008063 659353415 /nfs/dbraw/zinc/35/34/15/659353415.db2.gz PXAFBCFVTSEFJV-ZDUSSCGKSA-N 1 0 320.437 0.794 10 0 DCAERO CCC(=O)N1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722217333 659371192 /nfs/dbraw/zinc/37/11/92/659371192.db2.gz MSFIPHBAHBEFDD-LBPRGKRZSA-N 1 0 303.428 0.013 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c(OC)c1 ZINC000261739094 661593955 /nfs/dbraw/zinc/59/39/55/661593955.db2.gz UOYKXVIVVCWNQZ-SECBINFHSA-N 1 0 316.379 0.434 10 0 DCAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CCOCC1 ZINC000261880010 661781005 /nfs/dbraw/zinc/78/10/05/661781005.db2.gz PASKUFCULDKIBZ-LLVKDONJSA-N 1 0 324.812 0.938 10 0 DCAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C(=O)N1CCCC[C@H]1C ZINC000262043634 661979719 /nfs/dbraw/zinc/97/97/19/661979719.db2.gz YWSWXHRSRXJJPV-CHWSQXEVSA-N 1 0 311.426 0.648 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341203596 662294325 /nfs/dbraw/zinc/29/43/25/662294325.db2.gz SFIBERBBPNLBFL-KGLIPLIRSA-N 1 0 311.451 0.995 10 0 DCAERO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262403668 662366559 /nfs/dbraw/zinc/36/65/59/662366559.db2.gz OLMHJIKIVMJWKP-CABCVRRESA-N 1 0 322.380 0.713 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000721864906 662689744 /nfs/dbraw/zinc/68/97/44/662689744.db2.gz AKMNKRVZUOXQHL-HTQZYQBOSA-N 1 0 304.393 0.421 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000261671998 662858378 /nfs/dbraw/zinc/85/83/78/662858378.db2.gz GVLVXHHXARRLHZ-SECBINFHSA-N 1 0 319.409 0.535 10 0 DCAERO Cc1noc([C@]2(O)CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)n1 ZINC000897572873 662905748 /nfs/dbraw/zinc/90/57/48/662905748.db2.gz KFSHOMRQPWMLBX-ABAIWWIYSA-N 1 0 308.382 0.671 10 0 DCAERO Cc1nc(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)n[nH]1 ZINC000898180517 662943019 /nfs/dbraw/zinc/94/30/19/662943019.db2.gz CCAPHRUALHLKCJ-CQSZACIVSA-N 1 0 318.425 0.636 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900251881 663229805 /nfs/dbraw/zinc/22/98/05/663229805.db2.gz NFZSPBPHBAJZOP-INIZCTEOSA-N 1 0 324.469 0.530 10 0 DCAERO 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/nfs/dbraw/zinc/78/56/60/664785660.db2.gz AUKICIPVOYQEQK-OLZOCXBDSA-N 1 0 312.414 0.317 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000186675050 666575478 /nfs/dbraw/zinc/57/54/78/666575478.db2.gz GHTDQEQCWAUQLJ-RISCZKNCSA-N 1 0 302.378 0.944 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000702348557 666939995 /nfs/dbraw/zinc/93/99/95/666939995.db2.gz CQJARZINQBJPJH-HOCLYGCPSA-N 1 0 304.438 0.608 10 0 DCAERO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702834401 667002050 /nfs/dbraw/zinc/00/20/50/667002050.db2.gz XFFHRWYSQJLFKK-WCQYABFASA-N 1 0 310.398 0.738 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119850725 667215010 /nfs/dbraw/zinc/21/50/10/667215010.db2.gz CPZQHVBCGVLDQO-NWDGAFQWSA-N 1 0 305.444 0.449 10 0 DCAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000709840185 667445675 /nfs/dbraw/zinc/44/56/75/667445675.db2.gz FFXASWNWWQYAFM-BWZBUEFSSA-N 1 0 302.318 0.015 10 0 DCAERO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)C[C@H]1CCCO1)C2 ZINC000710138922 667445860 /nfs/dbraw/zinc/44/58/60/667445860.db2.gz NSRBROUAQPHTAF-SECBINFHSA-N 1 0 317.436 0.469 10 0 DCAERO C[C@H]1OCC[C@@]1(O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710946216 667447375 /nfs/dbraw/zinc/44/73/75/667447375.db2.gz LOVBJSFIKNKHQP-IAQYHMDHSA-N 1 0 300.399 0.983 10 0 DCAERO CN1C(=O)CC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000710965793 667447621 /nfs/dbraw/zinc/44/76/21/667447621.db2.gz VPDYEFQHUPQWDS-NSHDSACASA-N 1 0 311.382 0.590 10 0 DCAERO O=S(=O)(N[C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000711867883 667548352 /nfs/dbraw/zinc/54/83/52/667548352.db2.gz FRUVVPLMSGEXNQ-MELADBBJSA-N 1 0 302.440 0.863 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000717330651 667626355 /nfs/dbraw/zinc/62/63/55/667626355.db2.gz NMMLFIPXVMIICJ-ZKYQVNSYSA-N 1 0 303.786 0.549 10 0 DCAERO CN(Cc1ccccc1F)C(=O)[C@]1(N2CC[NH2+]CC2)CCOC1 ZINC000886085108 667730401 /nfs/dbraw/zinc/73/04/01/667730401.db2.gz 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ZINC000714749622 670194160 /nfs/dbraw/zinc/19/41/60/670194160.db2.gz GCUWYCVHPSJYQX-UHFFFAOYSA-N 1 0 300.428 0.929 10 0 DCAERO O=C(CN1CC[NH2+]CC1)NCc1ncc(Br)s1 ZINC000714933774 670196858 /nfs/dbraw/zinc/19/68/58/670196858.db2.gz AMAXDDLQFHUOMY-UHFFFAOYSA-N 1 0 319.228 0.427 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715161810 670205774 /nfs/dbraw/zinc/20/57/74/670205774.db2.gz UUMTVPICIZYMBP-DGCLKSJQSA-N 1 0 311.332 0.731 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193461715 670287302 /nfs/dbraw/zinc/28/73/02/670287302.db2.gz VWCCTBPTPDYIRK-VXNVDRBHSA-N 1 0 306.819 0.801 10 0 DCAERO CC(C)n1ncc2cc(C=CC(=O)NC[C@H](C)[NH3+])c(=O)[nH]c21 ZINC000194907102 670461797 /nfs/dbraw/zinc/46/17/97/670461797.db2.gz RMYLHIJREYPAQC-YEZKRMTDSA-N 1 0 303.366 0.782 10 0 DCAERO COC(=O)N[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000108462757 670776263 /nfs/dbraw/zinc/77/62/63/670776263.db2.gz OYYANMYTNDZKRL-CYBMUJFWSA-N 1 0 314.430 0.073 10 0 DCAERO 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317.436 0.580 10 0 DCAERO COC[C@@H](C)S(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720205284 685312497 /nfs/dbraw/zinc/31/24/97/685312497.db2.gz USVGUSKUGDLYFH-NEPJUHHUSA-N 1 0 306.428 0.099 10 0 DCAERO CC(C)N(C)S(=O)(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720170484 685312685 /nfs/dbraw/zinc/31/26/85/685312685.db2.gz YDQCMPDMKJDHKP-GFCCVEGCSA-N 1 0 305.444 0.320 10 0 DCAERO Cc1cc(N2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n2ncnc2n1 ZINC000089893219 685100710 /nfs/dbraw/zinc/10/07/10/685100710.db2.gz RANGSINCGUATGE-UONOGXRCSA-N 1 0 316.409 0.858 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000245427661 685156455 /nfs/dbraw/zinc/15/64/55/685156455.db2.gz WGOVETGJGVKPFM-DOMZBBRYSA-N 1 0 312.414 0.317 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245534307 685157486 /nfs/dbraw/zinc/15/74/86/685157486.db2.gz YOUYRSQBZYOXBI-CHWSQXEVSA-N 1 0 319.471 0.791 10 0 DCAERO NC(=O)c1ccc(N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000270572407 685191815 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C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000181663402 1185182592 /nfs/dbraw/zinc/18/25/92/1185182592.db2.gz YGLRXVZZXKCSMJ-RYUDHWBXSA-N 1 0 304.394 0.845 10 0 DCAERO COC(=O)N[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000381855764 1190699113 /nfs/dbraw/zinc/69/91/13/1190699113.db2.gz ZGFRWDCVQGUFMX-GJZGRUSLSA-N 1 0 308.378 0.994 10 0 DCAERO CON(C)C(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000397639972 1190703662 /nfs/dbraw/zinc/70/36/62/1190703662.db2.gz NYKLZCVFJHEBBQ-VIFPVBQESA-N 1 0 301.368 0.004 10 0 DCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175877293 282097831 /nfs/dbraw/zinc/09/78/31/282097831.db2.gz KEZXBPBCYRYYPT-OLZOCXBDSA-N 1 0 304.398 0.911 10 0 DCAERO C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000121226643 290654616 /nfs/dbraw/zinc/65/46/16/290654616.db2.gz JJORTJMTRJYZHA-CQSZACIVSA-N 1 0 304.394 0.802 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000171190283 197895198 /nfs/dbraw/zinc/89/51/98/197895198.db2.gz 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/nfs/dbraw/zinc/78/93/53/395789353.db2.gz MSEVHNSDVFIFMA-ZYHUDNBSSA-N 1 0 306.341 0.854 10 0 DCAERO CCNC(=O)CC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491781 395773519 /nfs/dbraw/zinc/77/35/19/395773519.db2.gz SZJYWROHQHTNAS-AWEZNQCLSA-N 1 0 324.469 0.578 10 0 DCAERO CSCCCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193707685 395777090 /nfs/dbraw/zinc/77/70/90/395777090.db2.gz LIGVOGJHUXKAGV-LBPRGKRZSA-N 1 0 301.456 0.976 10 0 DCAERO CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194924674 395811914 /nfs/dbraw/zinc/81/19/14/395811914.db2.gz VNYNCSBQNXZTFX-PHIMTYICSA-N 1 0 306.366 0.504 10 0 DCAERO O=C(CCNC(=O)OCC(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336679 395825610 /nfs/dbraw/zinc/82/56/10/395825610.db2.gz PFKHMOSYUCELIU-SNVBAGLBSA-N 1 0 323.315 0.972 10 0 DCAERO CC(=O)N1CCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000195505766 395829686 /nfs/dbraw/zinc/82/96/86/395829686.db2.gz PQMFVLUHHHGWKP-UHFFFAOYSA-N 1 0 319.409 0.280 10 0 DCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000116891610 395848955 /nfs/dbraw/zinc/84/89/55/395848955.db2.gz IAKJGQDEDICEFK-CYBMUJFWSA-N 1 0 311.407 0.639 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCO1 ZINC000116978151 395850315 /nfs/dbraw/zinc/85/03/15/395850315.db2.gz YBRXTRCNNNMZFX-CQSZACIVSA-N 1 0 323.368 0.345 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H](C)C2)C1 ZINC000054172537 395894763 /nfs/dbraw/zinc/89/47/63/395894763.db2.gz GSYUKPXVQMHTRB-HUUCEWRRSA-N 1 0 313.442 0.180 10 0 DCAERO C[NH2+]C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 ZINC000237068932 395902550 /nfs/dbraw/zinc/90/25/50/395902550.db2.gz IMDHNYHWPSVNMD-UHFFFAOYSA-N 1 0 305.378 0.392 10 0 DCAERO CC[C@]1(C)NC(=O)N(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)C1=O ZINC000127145559 395915269 /nfs/dbraw/zinc/91/52/69/395915269.db2.gz WUTCECNHYPNFMI-PGUXBMHVSA-N 1 0 310.398 0.258 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000118857897 395865383 /nfs/dbraw/zinc/86/53/83/395865383.db2.gz RMONEPSCHZOLBT-MRXNPFEDSA-N 1 0 323.412 0.830 10 0 DCAERO COC[C@H](C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)OC ZINC000227713957 395869878 /nfs/dbraw/zinc/86/98/78/395869878.db2.gz QASGCQJERRECQM-PWSUYJOCSA-N 1 0 302.396 0.646 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000230863285 395882437 /nfs/dbraw/zinc/88/24/37/395882437.db2.gz GVMUQZJRZMFWQI-BDAKNGLRSA-N 1 0 306.819 0.679 10 0 DCAERO Cc1nn2cccnc2c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000120952356 395882855 /nfs/dbraw/zinc/88/28/55/395882855.db2.gz KTOCBQNUPTWRAA-UHFFFAOYSA-N 1 0 317.393 0.880 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000245624931 395932921 /nfs/dbraw/zinc/93/29/21/395932921.db2.gz ORIJUJODRDMCIC-HOTGVXAUSA-N 1 0 322.453 0.368 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC(=O)NCC2CC2)C1 ZINC000245959216 395938966 /nfs/dbraw/zinc/93/89/66/395938966.db2.gz MJDMZJPPMSWCPV-KBPBESRZSA-N 1 0 308.426 0.638 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CS[C@H](C)CO)C1 ZINC000246116618 395941460 /nfs/dbraw/zinc/94/14/60/395941460.db2.gz ABJAJFRVDQTFJU-OLZOCXBDSA-N 1 0 304.456 0.573 10 0 DCAERO COC(CN1CCN(C[C@@H](O)COc2ccccc2)CC1)OC ZINC000136762499 395948673 /nfs/dbraw/zinc/94/86/73/395948673.db2.gz GWKROEWDNMSPDG-OAHLLOKOSA-N 1 0 324.421 0.663 10 0 DCAERO CN1C(=S)N=NC1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246604836 395953655 /nfs/dbraw/zinc/95/36/55/395953655.db2.gz JDIDIFHWPXJEGV-AXFHLTTASA-N 1 0 309.439 0.683 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCN1C(=O)CN(C)C1=O ZINC000246801139 395957939 /nfs/dbraw/zinc/95/79/39/395957939.db2.gz BUHJLIYHEGVFBN-STQMWFEESA-N 1 0 322.409 0.356 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247007356 395963837 /nfs/dbraw/zinc/96/38/37/395963837.db2.gz OHCVAFVPJNWRRK-LSDHHAIUSA-N 1 0 310.442 0.587 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000247108328 395966743 /nfs/dbraw/zinc/96/67/43/395966743.db2.gz ITLARWVYUZIPOE-BQFCYCMXSA-N 1 0 322.449 0.951 10 0 DCAERO 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NCEFCAXKDOXXHJ-JKSUJKDBSA-N 1 0 300.443 0.818 10 0 DCAERO CN(CC[N@H+](C)C1CC1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000248737636 395996174 /nfs/dbraw/zinc/99/61/74/395996174.db2.gz QYRGDJZALDFOCF-AWEZNQCLSA-N 1 0 305.426 0.968 10 0 DCAERO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nnc[nH]1 ZINC000253415077 396027909 /nfs/dbraw/zinc/02/79/09/396027909.db2.gz ZNQYHUMQZCSJRQ-QWHCGFSZSA-N 1 0 301.350 0.027 10 0 DCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000154111732 396031412 /nfs/dbraw/zinc/03/14/12/396031412.db2.gz IDIPFZCCLKHZHM-LLVKDONJSA-N 1 0 310.398 0.115 10 0 DCAERO [NH3+]CC1(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCOCC1 ZINC000261841221 396072041 /nfs/dbraw/zinc/07/20/41/396072041.db2.gz AINURPZQCNGEPT-ZDUSSCGKSA-N 1 0 323.437 0.792 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCO1 ZINC000155258244 396048861 /nfs/dbraw/zinc/04/88/61/396048861.db2.gz JBBNHRAVESWUCE-LBPRGKRZSA-N 1 0 301.394 0.974 10 0 DCAERO CN(C)C(=O)[C@@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299109 396052011 /nfs/dbraw/zinc/05/20/11/396052011.db2.gz VSJQJMWVVDTCSE-HNNXBMFYSA-N 1 0 322.453 0.282 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)CCc1nnc[nH]1 ZINC000261702753 396057657 /nfs/dbraw/zinc/05/76/57/396057657.db2.gz DBVNPGQQWJFTIM-ZDUSSCGKSA-N 1 0 315.377 0.919 10 0 DCAERO CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261742068 396061656 /nfs/dbraw/zinc/06/16/56/396061656.db2.gz IMCCKQIFHALGFB-OKILXGFUSA-N 1 0 316.467 0.905 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1OCCc2ccccc21 ZINC000261790978 396066241 /nfs/dbraw/zinc/06/62/41/396066241.db2.gz TUTPNZCWWHLILF-INIZCTEOSA-N 1 0 317.389 0.191 10 0 DCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249604442 396010145 /nfs/dbraw/zinc/01/01/45/396010145.db2.gz ZFPXJGUMUWPRJJ-ZNMIVQPWSA-N 1 0 324.446 0.739 10 0 DCAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCCS(=O)(=O)NC)CC2 ZINC000152720849 396015073 /nfs/dbraw/zinc/01/50/73/396015073.db2.gz NFMVXALJGHHLCC-QWHCGFSZSA-N 1 0 320.455 0.178 10 0 DCAERO CN1c2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)ccc2OCC1=O ZINC000261833955 396070913 /nfs/dbraw/zinc/07/09/13/396070913.db2.gz QFIPEAHAMNCSTR-OAHLLOKOSA-N 1 0 319.361 0.734 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3ncccc32)CCO1 ZINC000163213865 396085963 /nfs/dbraw/zinc/08/59/63/396085963.db2.gz YZKIRUXLROFDGK-LLVKDONJSA-N 1 0 307.375 0.583 10 0 DCAERO C[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261977197 396086036 /nfs/dbraw/zinc/08/60/36/396086036.db2.gz QVENCVNZWFODSG-ZDUSSCGKSA-N 1 0 304.394 0.377 10 0 DCAERO [NH3+][C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 ZINC000261991123 396087643 /nfs/dbraw/zinc/08/76/43/396087643.db2.gz MTLZTTBMDVNPPE-KBPBESRZSA-N 1 0 319.409 0.316 10 0 DCAERO COC(=O)c1cccc(CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000262010823 396089989 /nfs/dbraw/zinc/08/99/89/396089989.db2.gz WKKWICXSGDYXFB-UHFFFAOYSA-N 1 0 305.378 0.337 10 0 DCAERO CC[NH+](CC)C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 ZINC000169319487 396090140 /nfs/dbraw/zinc/09/01/40/396090140.db2.gz XACXQJRABSEONP-IMJJTQAJSA-N 1 0 309.406 0.589 10 0 DCAERO CN(CC(=O)NC1CCCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000262037819 396092141 /nfs/dbraw/zinc/09/21/41/396092141.db2.gz ZXWIFHQPSIBWFO-UHFFFAOYSA-N 1 0 310.442 0.189 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000262106524 396099846 /nfs/dbraw/zinc/09/98/46/396099846.db2.gz ZRNKULSRVDFSNL-NWDGAFQWSA-N 1 0 305.378 0.621 10 0 DCAERO COC(=O)Cc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC000070303090 396101112 /nfs/dbraw/zinc/10/11/12/396101112.db2.gz YBEDKCHHVWXODF-UHFFFAOYSA-N 1 0 312.391 0.432 10 0 DCAERO C[NH+](C)C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CCO1 ZINC000170999890 396103020 /nfs/dbraw/zinc/10/30/20/396103020.db2.gz QAMRSCJEZDYHBR-ZIAGYGMSSA-N 1 0 321.425 0.205 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171002675 396103103 /nfs/dbraw/zinc/10/31/03/396103103.db2.gz WHYKNFZNGYPCKE-UHFFFAOYSA-N 1 0 306.414 0.650 10 0 DCAERO CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)[C@@H]([NH3+])COC)cc1 ZINC000262298675 396119628 /nfs/dbraw/zinc/11/96/28/396119628.db2.gz ZRDYFWIWNRGCFE-DOMZBBRYSA-N 1 0 321.421 0.988 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000262320833 396123590 /nfs/dbraw/zinc/12/35/90/396123590.db2.gz QIGCGGMCQGLUMM-MBNYWOFBSA-N 1 0 322.409 0.285 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000262332035 396125236 /nfs/dbraw/zinc/12/52/36/396125236.db2.gz SISAPVXNHMOXRE-BPUTZDHNSA-N 1 0 321.396 0.487 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000172082169 396128595 /nfs/dbraw/zinc/12/85/95/396128595.db2.gz KBDIKZHKUGMPNC-DZGCQCFKSA-N 1 0 305.426 0.547 10 0 DCAERO [NH3+][C@H](C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C1CCOCC1 ZINC000261871376 396074443 /nfs/dbraw/zinc/07/44/43/396074443.db2.gz TUDKENKCTOHTPZ-BBRMVZONSA-N 1 0 317.389 0.662 10 0 DCAERO CNC(=O)[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000161722279 396076910 /nfs/dbraw/zinc/07/69/10/396076910.db2.gz GXLPHFNFMBQQHI-OAHLLOKOSA-N 1 0 309.385 0.704 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2c(c1)COC2 ZINC000261914077 396078874 /nfs/dbraw/zinc/07/88/74/396078874.db2.gz GSEOGEGPYCBOIS-UHFFFAOYSA-N 1 0 303.362 0.221 10 0 DCAERO NC(=O)c1cccc(CCNC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261915729 396078903 /nfs/dbraw/zinc/07/89/03/396078903.db2.gz YBNHGDMPJMNZIW-AWEZNQCLSA-N 1 0 305.378 0.198 10 0 DCAERO CN(C(=O)CCC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261918839 396079355 /nfs/dbraw/zinc/07/93/55/396079355.db2.gz ZDTACTRYZCKGCE-PBWFPOADSA-N 1 0 309.410 0.367 10 0 DCAERO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261918044 396079381 /nfs/dbraw/zinc/07/93/81/396079381.db2.gz XGFIQAALGLKQBX-SWLSCSKDSA-N 1 0 301.390 0.815 10 0 DCAERO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261918041 396079591 /nfs/dbraw/zinc/07/95/91/396079591.db2.gz XGFIQAALGLKQBX-IUODEOHRSA-N 1 0 301.390 0.815 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000261968585 396085161 /nfs/dbraw/zinc/08/51/61/396085161.db2.gz HZGOWKYOMHFQSL-OAHLLOKOSA-N 1 0 312.435 0.856 10 0 DCAERO CNC(=O)c1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263229066 396207559 /nfs/dbraw/zinc/20/75/59/396207559.db2.gz NENDPKDVIQADMI-GFCCVEGCSA-N 1 0 301.350 0.672 10 0 DCAERO Cc1nc(COc2ccc(CNC[C@@H]3C[NH2+]C[C@@H]3O)cc2)no1 ZINC000263234215 396207564 /nfs/dbraw/zinc/20/75/64/396207564.db2.gz NTLAWLXMNYFRLR-HIFRSBDPSA-N 1 0 318.377 0.627 10 0 DCAERO C[NH2+][C@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cnn(C)c1 ZINC000262515750 396150149 /nfs/dbraw/zinc/15/01/49/396150149.db2.gz KDVROHDTLTXXSX-ONGXEEELSA-N 1 0 306.288 0.206 10 0 DCAERO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262530245 396151133 /nfs/dbraw/zinc/15/11/33/396151133.db2.gz PKBMKAGNCWQEKR-CHWSQXEVSA-N 1 0 323.368 0.206 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000262536382 396152571 /nfs/dbraw/zinc/15/25/71/396152571.db2.gz QKPJAKUNDJRNNJ-JSGCOSHPSA-N 1 0 323.418 0.419 10 0 DCAERO NC(=O)NCc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000262614484 396162095 /nfs/dbraw/zinc/16/20/95/396162095.db2.gz GFHDOVLJAIRALS-LBPRGKRZSA-N 1 0 304.394 0.974 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc[nH]c2=O)CC1 ZINC000176894633 396162933 /nfs/dbraw/zinc/16/29/33/396162933.db2.gz RPLGPIOEXWFKOK-GFCCVEGCSA-N 1 0 307.394 0.952 10 0 DCAERO C[C@H](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000262622832 396163906 /nfs/dbraw/zinc/16/39/06/396163906.db2.gz HKPQNXHDUGHBEM-AGIUHOORSA-N 1 0 317.455 0.162 10 0 DCAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1NS(C)(=O)=O ZINC000262645397 396167821 /nfs/dbraw/zinc/16/78/21/396167821.db2.gz IXCZMXDOHHAAKT-JTQLQIEISA-N 1 0 313.379 0.757 10 0 DCAERO COc1ncnc(OC)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000177202710 396169456 /nfs/dbraw/zinc/16/94/56/396169456.db2.gz XQXYWUQVFWTQTD-QWRGUYRKSA-N 1 0 308.382 0.952 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000177248682 396170061 /nfs/dbraw/zinc/17/00/61/396170061.db2.gz RUQLXHAXAAYCNR-GFCCVEGCSA-N 1 0 318.377 0.644 10 0 DCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262692739 396173780 /nfs/dbraw/zinc/17/37/80/396173780.db2.gz AHPWXVIOKUHDKP-BXUZGUMPSA-N 1 0 314.389 0.733 10 0 DCAERO COc1cc(NC(=O)CNC(=O)CC[C@@H](C)[NH3+])cc(OC)c1 ZINC000262740733 396177811 /nfs/dbraw/zinc/17/78/11/396177811.db2.gz DOKUQWOADRZBHH-SNVBAGLBSA-N 1 0 309.366 0.886 10 0 DCAERO Cc1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000177676550 396181374 /nfs/dbraw/zinc/18/13/74/396181374.db2.gz CKXLVAORJWFEIR-GFCCVEGCSA-N 1 0 323.368 0.862 10 0 DCAERO Nc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000178510464 396197783 /nfs/dbraw/zinc/19/77/83/396197783.db2.gz CZIDJYLRRGLRIM-NSHDSACASA-N 1 0 312.801 0.894 10 0 DCAERO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-n2ccnn2)cc1 ZINC000182006760 396245038 /nfs/dbraw/zinc/24/50/38/396245038.db2.gz CHVIRVGAGLKEAZ-NSHDSACASA-N 1 0 314.349 0.470 10 0 DCAERO COC(=O)CC[N@@H+]1CCN(Cc2nnc(C3CC3)n2C)[C@@H](C)C1 ZINC000182086670 396245868 /nfs/dbraw/zinc/24/58/68/396245868.db2.gz UMPVMNRQVYCBIA-LBPRGKRZSA-N 1 0 321.425 0.762 10 0 DCAERO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000264033909 396250454 /nfs/dbraw/zinc/25/04/54/396250454.db2.gz SZQNKRYBFBWJPD-JTQLQIEISA-N 1 0 315.395 0.306 10 0 DCAERO C[C@@H](C[S@](C)=O)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182765305 396254383 /nfs/dbraw/zinc/25/43/83/396254383.db2.gz QAGRFIQXCIIXHL-YTEVENLXSA-N 1 0 324.450 0.330 10 0 DCAERO COC[C@](C)(CCO)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000079920140 396272555 /nfs/dbraw/zinc/27/25/55/396272555.db2.gz JZWYVAAHDOHXTE-INIZCTEOSA-N 1 0 305.378 0.880 10 0 DCAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000183667207 396273150 /nfs/dbraw/zinc/27/31/50/396273150.db2.gz RHLCQVYJILPZDX-IUODEOHRSA-N 1 0 319.405 0.422 10 0 DCAERO O=C1CCC(=O)N1CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183784793 396274432 /nfs/dbraw/zinc/27/44/32/396274432.db2.gz QVDLBEBSECUJAR-UHFFFAOYSA-N 1 0 302.378 0.743 10 0 DCAERO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C3C[NH2+]C3)C2=O)c1 ZINC000263318406 396213302 /nfs/dbraw/zinc/21/33/02/396213302.db2.gz QUCKBYZTYAULQH-CQSZACIVSA-N 1 0 319.361 0.145 10 0 DCAERO O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263342610 396214493 /nfs/dbraw/zinc/21/44/93/396214493.db2.gz YBDOTUJUZPVZCQ-OAHLLOKOSA-N 1 0 317.389 0.431 10 0 DCAERO O=C1NCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000179065165 396220306 /nfs/dbraw/zinc/22/03/06/396220306.db2.gz FYSBGVNIIDVGEF-CYBMUJFWSA-N 1 0 318.373 0.942 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1F ZINC000179172810 396222799 /nfs/dbraw/zinc/22/27/99/396222799.db2.gz VZVKVBPSPPSOCJ-ZJUUUORDSA-N 1 0 302.733 0.845 10 0 DCAERO CCC[C@@H](C(=O)N1CCCN(CC(=O)OCC)CC1)[NH+](C)C ZINC000179644841 396228500 /nfs/dbraw/zinc/22/85/00/396228500.db2.gz KWRZGZUZVXTJGX-AWEZNQCLSA-N 1 0 313.442 0.814 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1C ZINC000184998651 396313212 /nfs/dbraw/zinc/31/32/12/396313212.db2.gz NQCWKOXQWZDXPO-QWHCGFSZSA-N 1 0 319.409 0.962 10 0 DCAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)CC1 ZINC000184257558 396289503 /nfs/dbraw/zinc/28/95/03/396289503.db2.gz DEXRCIDHIZYFRL-CYBMUJFWSA-N 1 0 316.405 0.903 10 0 DCAERO CCOCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000184694107 396302314 /nfs/dbraw/zinc/30/23/14/396302314.db2.gz SGKKOBVNWVVGPC-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO COCCCCS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184858129 396308421 /nfs/dbraw/zinc/30/84/21/396308421.db2.gz PNTCRDMVVFMVCT-CYBMUJFWSA-N 1 0 308.444 0.179 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000185407695 396326637 /nfs/dbraw/zinc/32/66/37/396326637.db2.gz WKCAOINNVVEFGL-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000185936483 396338014 /nfs/dbraw/zinc/33/80/14/396338014.db2.gz XHBHEZUDCRBBOD-WFASDCNBSA-N 1 0 300.399 0.273 10 0 DCAERO C[C@@]1(C(N)=O)CCCCN1CCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963159 396338305 /nfs/dbraw/zinc/33/83/05/396338305.db2.gz TWEFOBUGKRDDDR-IRXDYDNUSA-N 1 0 324.469 0.836 10 0 DCAERO Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)n1 ZINC000187005059 396361608 /nfs/dbraw/zinc/36/16/08/396361608.db2.gz NYCPIJQCDJYHLA-ZDUSSCGKSA-N 1 0 312.439 0.704 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187067222 396362401 /nfs/dbraw/zinc/36/24/01/396362401.db2.gz GOCYXBYFRVFNPL-CQSZACIVSA-N 1 0 324.425 0.017 10 0 DCAERO c1c(CN2CCN(CC[NH+]3CCCC3)CC2)nc2ncccn12 ZINC000268663190 396366077 /nfs/dbraw/zinc/36/60/77/396366077.db2.gz YIRMYVFOQVSADC-UHFFFAOYSA-N 1 0 314.437 0.943 10 0 DCAERO CNC(=O)CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000186368379 396348959 /nfs/dbraw/zinc/34/89/59/396348959.db2.gz WUZKGPFRXUEBFM-UHFFFAOYSA-N 1 0 311.426 0.474 10 0 DCAERO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188744223 396385058 /nfs/dbraw/zinc/38/50/58/396385058.db2.gz STXNYGUVRBREQF-CHWSQXEVSA-N 1 0 322.453 0.741 10 0 DCAERO C[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1CCO ZINC000188756691 396385506 /nfs/dbraw/zinc/38/55/06/396385506.db2.gz IDLOULGGJUYNBI-LBPRGKRZSA-N 1 0 306.410 0.817 10 0 DCAERO C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1CCO ZINC000188772565 396385565 /nfs/dbraw/zinc/38/55/65/396385565.db2.gz OJYQUQWFBMQBBU-LBPRGKRZSA-N 1 0 316.361 0.875 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC(CO)C1 ZINC000189033787 396389996 /nfs/dbraw/zinc/38/99/96/396389996.db2.gz GHZCEGCSSMPKKQ-BBRMVZONSA-N 1 0 318.421 0.926 10 0 DCAERO O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189785508 396399542 /nfs/dbraw/zinc/39/95/42/396399542.db2.gz WIESAFULUDJUGJ-UHFFFAOYSA-N 1 0 315.373 0.962 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189784455 396399737 /nfs/dbraw/zinc/39/97/37/396399737.db2.gz PTVLKQCCCAXSHJ-UHFFFAOYSA-N 1 0 318.377 0.725 10 0 DCAERO CCS(=O)(=O)CCCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000190527920 396407714 /nfs/dbraw/zinc/40/77/14/396407714.db2.gz HJVIAXYEJMODHD-AWEZNQCLSA-N 1 0 306.472 0.854 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000193185980 396445929 /nfs/dbraw/zinc/44/59/29/396445929.db2.gz SWFZPCOYNWLVNC-LLVKDONJSA-N 1 0 313.423 0.681 10 0 DCAERO Cc1cc(=O)[nH]c([C@@H](C)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000192594473 396433014 /nfs/dbraw/zinc/43/30/14/396433014.db2.gz XLLIXMNOSXNHQO-ZJUUUORDSA-N 1 0 300.384 0.175 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000192826433 396438990 /nfs/dbraw/zinc/43/89/90/396438990.db2.gz ULHFTZFPGBZFKW-CHWSQXEVSA-N 1 0 319.409 0.962 10 0 DCAERO O=C1OCC[C@@]12CCCN2S(=O)(=O)CC[NH+]1CCCC1 ZINC000192911352 396440241 /nfs/dbraw/zinc/44/02/41/396440241.db2.gz YHRHJEZJOJMZOI-ZDUSSCGKSA-N 1 0 302.396 0.194 10 0 DCAERO C[C@@H]1C(=O)NCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000188097802 396379265 /nfs/dbraw/zinc/37/92/65/396379265.db2.gz XYIIVLFAAZVEIN-CQSZACIVSA-N 1 0 323.437 0.759 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000193265389 396447475 /nfs/dbraw/zinc/44/74/75/396447475.db2.gz RGPLBGIVDGUYCA-PWSUYJOCSA-N 1 0 303.362 0.958 10 0 DCAERO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC[NH2+]C(C)C)C1 ZINC000193526372 396453308 /nfs/dbraw/zinc/45/33/08/396453308.db2.gz ZHFPXXBJWGKYBF-CQSZACIVSA-N 1 0 321.487 0.357 10 0 DCAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000581207108 396535590 /nfs/dbraw/zinc/53/55/90/396535590.db2.gz ZKHVRASJTDZPOC-HCCOSRNKSA-N 1 0 311.422 0.898 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000527512819 396536236 /nfs/dbraw/zinc/53/62/36/396536236.db2.gz GGAVDLWMWAWPIG-UHFFFAOYSA-N 1 0 315.421 0.811 10 0 DCAERO C[N@H+](C[C@@H](O)Cn1cccn1)C1CCN(c2cnccn2)CC1 ZINC000373828665 396616944 /nfs/dbraw/zinc/61/69/44/396616944.db2.gz KGGFJMFACPQOEV-OAHLLOKOSA-N 1 0 316.409 0.635 10 0 DCAERO CSC1(CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000589087701 396703273 /nfs/dbraw/zinc/70/32/73/396703273.db2.gz FLAQWXIHUPYXRK-NEPJUHHUSA-N 1 0 311.451 0.693 10 0 DCAERO CC[C@@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1C[C@H](C)O ZINC000301410255 396716587 /nfs/dbraw/zinc/71/65/87/396716587.db2.gz OPKXYLORWORYDZ-QWHCGFSZSA-N 1 0 306.410 0.723 10 0 DCAERO C[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312943465 396767726 /nfs/dbraw/zinc/76/77/26/396767726.db2.gz GSUVVPGOSDPJOW-UONOGXRCSA-N 1 0 304.456 0.893 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC000328628889 396826927 /nfs/dbraw/zinc/82/69/27/396826927.db2.gz HSMXBJQGSZDAQF-UONOGXRCSA-N 1 0 320.397 0.142 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC000328628890 396827000 /nfs/dbraw/zinc/82/70/00/396827000.db2.gz HSMXBJQGSZDAQF-ZIAGYGMSSA-N 1 0 320.397 0.142 10 0 DCAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000376417203 396926073 /nfs/dbraw/zinc/92/60/73/396926073.db2.gz PXHLGIHMIFQMNE-GFCCVEGCSA-N 1 0 316.409 0.892 10 0 DCAERO c1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(N2CCOCC2)n1 ZINC000634812240 396921458 /nfs/dbraw/zinc/92/14/58/396921458.db2.gz CTNQSMZMRFQPEV-KBPBESRZSA-N 1 0 303.410 0.892 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2ccccc2F)[C@@](C)(C[NH3+])C1 ZINC000630359421 396993787 /nfs/dbraw/zinc/99/37/87/396993787.db2.gz DCSZWHMAPBBQQO-GXFFZTMASA-N 1 0 302.371 0.953 10 0 DCAERO Cn1nncc1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000612730625 397129105 /nfs/dbraw/zinc/12/91/05/397129105.db2.gz HCHZCHXVWLYGKQ-WFASDCNBSA-N 1 0 303.410 0.833 10 0 DCAERO C[NH+](C)CCn1cc(NC(=O)NCC2([S@](C)=O)CC2)cn1 ZINC000619661823 397171990 /nfs/dbraw/zinc/17/19/90/397171990.db2.gz WXRBICAAKLRTHG-NRFANRHFSA-N 1 0 313.427 0.477 10 0 DCAERO COCCN(Cc1ccnn1C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612984855 397172328 /nfs/dbraw/zinc/17/23/28/397172328.db2.gz JWGSLOUXFBLMOC-CQSZACIVSA-N 1 0 321.425 0.720 10 0 DCAERO CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)[NH+](C)C ZINC000592864406 397268831 /nfs/dbraw/zinc/26/88/31/397268831.db2.gz UXHBSFAFYSEONR-GFCCVEGCSA-N 1 0 305.444 0.114 10 0 DCAERO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000382553188 397275047 /nfs/dbraw/zinc/27/50/47/397275047.db2.gz GYLWZCNPUBCGCX-GXFFZTMASA-N 1 0 302.396 0.382 10 0 DCAERO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)C[C@@]1(C)C[NH3+] ZINC000386483206 397288252 /nfs/dbraw/zinc/28/82/52/397288252.db2.gz WMQKLBAKCRLSQS-PRHODGIISA-N 1 0 315.215 0.964 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)NCCOCCC[NH3+] ZINC000599110686 397341220 /nfs/dbraw/zinc/34/12/20/397341220.db2.gz ZLQGRNFFBBYPOV-UHFFFAOYSA-N 1 0 322.408 0.178 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000408182703 397349576 /nfs/dbraw/zinc/34/95/76/397349576.db2.gz LQCIQUUVLPKJOW-QWHCGFSZSA-N 1 0 305.444 0.368 10 0 DCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000370324662 397470077 /nfs/dbraw/zinc/47/00/77/397470077.db2.gz JEDRBUTYZMIYQY-CABCVRRESA-N 1 0 322.453 0.284 10 0 DCAERO CCS(=O)(=O)NCCNC(=O)Nc1ccc2nccn2c1 ZINC000606581211 397683935 /nfs/dbraw/zinc/68/39/35/397683935.db2.gz UZNABKIQDMBWBG-UHFFFAOYSA-N 1 0 311.367 0.395 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000607923017 397707010 /nfs/dbraw/zinc/70/70/10/397707010.db2.gz GJMIVYLQTKRWOM-LBPRGKRZSA-N 1 0 309.410 0.762 10 0 DCAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000608784501 397755027 /nfs/dbraw/zinc/75/50/27/397755027.db2.gz BECOSQJFMWKCCL-ZNMIVQPWSA-N 1 0 315.410 0.961 10 0 DCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)C12CCOCC2 ZINC000333826243 286261823 /nfs/dbraw/zinc/26/18/23/286261823.db2.gz RXEOVFNOYHXYLS-BFHYXJOUSA-N 1 0 311.426 0.964 10 0 DCAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC(=O)OC)C12CCCC2 ZINC000125647068 286331797 /nfs/dbraw/zinc/33/17/97/286331797.db2.gz QGSUHZWAVJVOPK-QWHCGFSZSA-N 1 0 312.410 0.945 10 0 DCAERO COCCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330244792 292272015 /nfs/dbraw/zinc/27/20/15/292272015.db2.gz XIMCPLUMOCPTCO-CQSZACIVSA-N 1 0 309.410 0.321 10 0 DCAERO CCCS(=O)(=O)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000056983379 158024230 /nfs/dbraw/zinc/02/42/30/158024230.db2.gz PHXVFEHZWAWPBQ-UHFFFAOYSA-N 1 0 302.440 0.898 10 0 DCAERO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613656 158061851 /nfs/dbraw/zinc/06/18/51/158061851.db2.gz YBYUKVGDTCMWFD-AWEZNQCLSA-N 1 0 312.410 0.899 10 0 DCAERO O=C(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCC1 ZINC000079071613 158077346 /nfs/dbraw/zinc/07/73/46/158077346.db2.gz OZYRAVMNWNWJTG-CQSZACIVSA-N 1 0 308.426 0.879 10 0 DCAERO C[C@H](O)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085796257 158090434 /nfs/dbraw/zinc/09/04/34/158090434.db2.gz KASNPVDPUKWUOQ-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO CN(C)S(=O)(=O)c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089742399 158098811 /nfs/dbraw/zinc/09/88/11/158098811.db2.gz FJCVCBONLOJFRW-LLVKDONJSA-N 1 0 311.407 0.875 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091491236 158108266 /nfs/dbraw/zinc/10/82/66/158108266.db2.gz RWTKCYYGPMABOE-WXRRBKDZSA-N 1 0 300.399 0.393 10 0 DCAERO Cc1nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(=O)[nH]c1C ZINC000092516558 158115037 /nfs/dbraw/zinc/11/50/37/158115037.db2.gz NLGWBXANIOMETR-OLZOCXBDSA-N 1 0 304.394 0.943 10 0 DCAERO Cn1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(=O)n(C)c1=O ZINC000092788887 158116517 /nfs/dbraw/zinc/11/65/17/158116517.db2.gz XYOKDKOEVWTICE-NSHDSACASA-N 1 0 320.418 0.920 10 0 DCAERO CN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000096666073 158123894 /nfs/dbraw/zinc/12/38/94/158123894.db2.gz SEVCPXZTZJRUIA-UHFFFAOYSA-N 1 0 303.410 0.221 10 0 DCAERO CC(C)[NH+](CCNC(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000104800081 158129614 /nfs/dbraw/zinc/12/96/14/158129614.db2.gz HDKXIXMKUPAUDH-CQSZACIVSA-N 1 0 300.447 0.735 10 0 DCAERO Cc1nc(CN2CCC[N@H+](CCN3CCCC3=O)CC2)no1 ZINC000105866985 158131020 /nfs/dbraw/zinc/13/10/20/158131020.db2.gz RCLKGRSYEGITHG-UHFFFAOYSA-N 1 0 307.398 0.508 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000105817997 158131063 /nfs/dbraw/zinc/13/10/63/158131063.db2.gz HDDHGHTVIKFBTG-OAGGEKHMSA-N 1 0 309.454 0.896 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000105846082 158131248 /nfs/dbraw/zinc/13/12/48/158131248.db2.gz YVTQALBBZGRVSJ-QGZVFWFLSA-N 1 0 321.469 0.647 10 0 DCAERO COCCCNC(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918425 158132218 /nfs/dbraw/zinc/13/22/18/158132218.db2.gz RXNMUKABIMRXAV-UHFFFAOYSA-N 1 0 308.426 0.827 10 0 DCAERO CC(C)OC[C@H](O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105903504 158132552 /nfs/dbraw/zinc/13/25/52/158132552.db2.gz QFPLLLKCWWBRAH-MRXNPFEDSA-N 1 0 310.442 0.714 10 0 DCAERO CC(=O)N[C@@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284393 158135642 /nfs/dbraw/zinc/13/56/42/158135642.db2.gz SOECTOUWYOKOPQ-ZFWWWQNUSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CNC(=O)C1 ZINC000116248493 158164855 /nfs/dbraw/zinc/16/48/55/158164855.db2.gz ZQARRIDMQMARFW-NFAWXSAZSA-N 1 0 316.405 0.544 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(CCOc2cccc(F)c2)C1 ZINC000116889668 158167719 /nfs/dbraw/zinc/16/77/19/158167719.db2.gz ZZRVDWLEPSYGHA-GFCCVEGCSA-N 1 0 302.371 0.828 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)NCCNC(C)=O)C[C@H]1CC ZINC000117024952 158170613 /nfs/dbraw/zinc/17/06/13/158170613.db2.gz XOUIJWOWZOXOPE-CQSZACIVSA-N 1 0 314.430 0.265 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000118124604 158176040 /nfs/dbraw/zinc/17/60/40/158176040.db2.gz UJPWIEPIPSWDPC-AWEZNQCLSA-N 1 0 323.368 0.991 10 0 DCAERO C[C@@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)CS(C)(=O)=O ZINC000119410855 158188121 /nfs/dbraw/zinc/18/81/21/158188121.db2.gz NDUNMESAQWOUDP-UONOGXRCSA-N 1 0 304.456 0.321 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO1 ZINC000120183542 158195313 /nfs/dbraw/zinc/19/53/13/158195313.db2.gz OBDJOQUFDYYWJH-XUSGNXJCSA-N 1 0 319.471 0.506 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNC(=O)c2cnn3c2CCCC3)CC1 ZINC000126952354 158269121 /nfs/dbraw/zinc/26/91/21/158269121.db2.gz XOHWERCGHKLDDN-CQSZACIVSA-N 1 0 319.453 0.975 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)CCCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000127473531 158274303 /nfs/dbraw/zinc/27/43/03/158274303.db2.gz PKWKOXOOXNXGDW-CHWSQXEVSA-N 1 0 324.425 0.602 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@]1(CCO)CCOC1 ZINC000129600919 158289829 /nfs/dbraw/zinc/28/98/29/158289829.db2.gz HMHOJIVYIHAOJF-ZFWWWQNUSA-N 1 0 301.431 0.805 10 0 DCAERO CCN(C)C(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000130728983 158297297 /nfs/dbraw/zinc/29/72/97/158297297.db2.gz GRNMJDUVFULJMF-CYBMUJFWSA-N 1 0 317.455 0.355 10 0 DCAERO COCCCOC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000130871438 158297786 /nfs/dbraw/zinc/29/77/86/158297786.db2.gz RMHUAXFSUSJBFU-AWEZNQCLSA-N 1 0 314.426 0.487 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000132864454 158313698 /nfs/dbraw/zinc/31/36/98/158313698.db2.gz VYOXLNHXQSMOBU-KGLIPLIRSA-N 1 0 319.453 0.972 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000132881420 158314258 /nfs/dbraw/zinc/31/42/58/158314258.db2.gz KLFHXPIXKRTQPZ-ZDUSSCGKSA-N 1 0 315.443 0.320 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000135305196 158335162 /nfs/dbraw/zinc/33/51/62/158335162.db2.gz QCTDNENMSFCNHO-QWHCGFSZSA-N 1 0 319.471 0.935 10 0 DCAERO CC(=O)NCCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135684899 158339275 /nfs/dbraw/zinc/33/92/75/158339275.db2.gz HUKQUYCBPUTWSZ-ZDUSSCGKSA-N 1 0 303.428 0.013 10 0 DCAERO COC1(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC[NH2+]CC1 ZINC000166846329 158366877 /nfs/dbraw/zinc/36/68/77/158366877.db2.gz GZDICTRHVDJNNY-UHFFFAOYSA-N 1 0 320.393 0.603 10 0 DCAERO Cc1noc([C@H](C)N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)n1 ZINC000168123312 158371312 /nfs/dbraw/zinc/37/13/12/158371312.db2.gz ZXMBOLFNBQHOGV-IINYFYTJSA-N 1 0 311.361 0.285 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000170859811 158377019 /nfs/dbraw/zinc/37/70/19/158377019.db2.gz GODJTRVNNSOZJT-LLVKDONJSA-N 1 0 311.332 0.857 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171038361 158379760 /nfs/dbraw/zinc/37/97/60/158379760.db2.gz JMMCXAOAMOVIFY-WCQYABFASA-N 1 0 308.430 0.931 10 0 DCAERO Cn1cnnc1SCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000171131917 158380415 /nfs/dbraw/zinc/38/04/15/158380415.db2.gz VBGNOFGXPLBLGF-UHFFFAOYSA-N 1 0 309.439 0.994 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000171240875 158380451 /nfs/dbraw/zinc/38/04/51/158380451.db2.gz RGZSVXHGJZSMEK-ZDUSSCGKSA-N 1 0 305.382 0.804 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000171637915 158384998 /nfs/dbraw/zinc/38/49/98/158384998.db2.gz NNPDPGOAINZRPT-BZUAXINKSA-N 1 0 307.438 0.936 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000171637921 158385414 /nfs/dbraw/zinc/38/54/14/158385414.db2.gz NNPDPGOAINZRPT-OWCLPIDISA-N 1 0 307.438 0.936 10 0 DCAERO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000171868643 158387647 /nfs/dbraw/zinc/38/76/47/158387647.db2.gz QGLADUUELMQBAC-AWEZNQCLSA-N 1 0 318.425 0.767 10 0 DCAERO Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172123699 158391334 /nfs/dbraw/zinc/39/13/34/158391334.db2.gz CQCKNURFEXKNIK-CQSZACIVSA-N 1 0 323.441 0.551 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000172233876 158391835 /nfs/dbraw/zinc/39/18/35/158391835.db2.gz AJDPSWHMHDAKKD-AWEZNQCLSA-N 1 0 308.426 0.875 10 0 DCAERO CCc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)n(C)n1 ZINC000172537758 158395753 /nfs/dbraw/zinc/39/57/53/158395753.db2.gz HCPRTVQOZZPVMK-UHFFFAOYSA-N 1 0 307.398 0.474 10 0 DCAERO CNC(=O)CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000184217084 158506127 /nfs/dbraw/zinc/50/61/27/158506127.db2.gz YMRVYRPZBZGZMW-UHFFFAOYSA-N 1 0 306.366 0.651 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000184475475 158508933 /nfs/dbraw/zinc/50/89/33/158508933.db2.gz QEIPDEDVIHHAHB-MRXNPFEDSA-N 1 0 311.426 0.919 10 0 DCAERO COC(=O)CCCc1nc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)no1 ZINC000193646575 158588066 /nfs/dbraw/zinc/58/80/66/158588066.db2.gz ACDLCLBXETZQQM-TXEJJXNPSA-N 1 0 308.382 0.559 10 0 DCAERO CN(C(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)C1CC1 ZINC000195509411 158612345 /nfs/dbraw/zinc/61/23/45/158612345.db2.gz RIHTZUNPRLHKJZ-UHFFFAOYSA-N 1 0 306.410 0.676 10 0 DCAERO CCn1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])nc1C ZINC000234221366 158629214 /nfs/dbraw/zinc/62/92/14/158629214.db2.gz BIISEFMWKDPVGJ-ZYHUDNBSSA-N 1 0 300.428 0.959 10 0 DCAERO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236883172 158635688 /nfs/dbraw/zinc/63/56/88/158635688.db2.gz NBNZJDURNMLYSZ-KKUMJFAQSA-N 1 0 322.453 0.187 10 0 DCAERO C[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1 ZINC000248596536 158694115 /nfs/dbraw/zinc/69/41/15/158694115.db2.gz MNFZVOCJXCCOGX-ZOWXZIJZSA-N 1 0 318.373 0.801 10 0 DCAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249097037 158703761 /nfs/dbraw/zinc/70/37/61/158703761.db2.gz OUBTVHFKFLIASL-JKSUJKDBSA-N 1 0 300.443 0.553 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000250089377 158711221 /nfs/dbraw/zinc/71/12/21/158711221.db2.gz QBYIISDTFGRHLE-UTLUCORTSA-N 1 0 307.316 0.511 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)nc2n1 ZINC000262029942 158766024 /nfs/dbraw/zinc/76/60/24/158766024.db2.gz PGXJBOBGSACHLP-GFCCVEGCSA-N 1 0 316.409 0.869 10 0 DCAERO CCOC[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262056063 158768302 /nfs/dbraw/zinc/76/83/02/158768302.db2.gz ANFJTPMEMJAFEO-IMJJTQAJSA-N 1 0 320.437 0.998 10 0 DCAERO Cc1ccc(C2(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CCOCC2)cc1 ZINC000262103790 158773488 /nfs/dbraw/zinc/77/34/88/158773488.db2.gz DYTDIAHNGXLDMZ-HOCLYGCPSA-N 1 0 318.417 0.740 10 0 DCAERO CC(C)n1ncc2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262117540 158775281 /nfs/dbraw/zinc/77/52/81/158775281.db2.gz FRZAOEJDLZPTAC-OLZOCXBDSA-N 1 0 303.366 0.322 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)ccc1Br ZINC000262217278 158786141 /nfs/dbraw/zinc/78/61/41/158786141.db2.gz JFBNDNXHICNEMG-HQJQHLMTSA-N 1 0 317.158 0.898 10 0 DCAERO COCCOc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262313122 158795554 /nfs/dbraw/zinc/79/55/54/158795554.db2.gz BRIGIFSYRMKWNJ-KGLIPLIRSA-N 1 0 308.378 0.359 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262790498 158840139 /nfs/dbraw/zinc/84/01/39/158840139.db2.gz RNKPXHDUPRCOCH-SCZZXKLOSA-N 1 0 308.354 0.425 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000263248403 158865956 /nfs/dbraw/zinc/86/59/56/158865956.db2.gz POBHMCFJPUULNH-BFVZDQMLSA-N 1 0 323.422 0.772 10 0 DCAERO O=C(c1cc(F)cc2n[nH]nc21)N1CC[C@H](N2CCOCC2)C1 ZINC000328658206 159017711 /nfs/dbraw/zinc/01/77/11/159017711.db2.gz QPXLSHIFJGDXLV-NSHDSACASA-N 1 0 319.340 0.644 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC(=O)N1C ZINC000328729337 159025127 /nfs/dbraw/zinc/02/51/27/159025127.db2.gz WBPOAXAVRGSJJT-JSGCOSHPSA-N 1 0 309.410 0.176 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2Cn2ccnc2C)[N@H+](C)C1 ZINC000329024094 159052924 /nfs/dbraw/zinc/05/29/24/159052924.db2.gz NCJIRZHYRUFLKH-KKUMJFAQSA-N 1 0 306.410 0.902 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](COCC3CC3)C2)[N@H+](C)C1 ZINC000329050282 159056284 /nfs/dbraw/zinc/05/62/84/159056284.db2.gz RBAVAXDCCYHDCD-ZNMIVQPWSA-N 1 0 312.410 0.360 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329072812 159058266 /nfs/dbraw/zinc/05/82/66/159058266.db2.gz ZRBNYCFZMPDBEY-KBPBESRZSA-N 1 0 322.409 0.429 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1N1CCOCC1 ZINC000329728950 159115371 /nfs/dbraw/zinc/11/53/71/159115371.db2.gz HJSYGGIWZFIHMQ-MCIONIFRSA-N 1 0 309.410 0.922 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000329832868 159122839 /nfs/dbraw/zinc/12/28/39/159122839.db2.gz LCEIPEYYBQKQMX-NRWUCQMLSA-N 1 0 317.455 0.413 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000332910247 159216459 /nfs/dbraw/zinc/21/64/59/159216459.db2.gz ITCWJLKEFXEJJI-GJZGRUSLSA-N 1 0 324.469 0.578 10 0 DCAERO Cc1nc(CN(C)[C@@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)no1 ZINC000364090661 159273655 /nfs/dbraw/zinc/27/36/55/159273655.db2.gz OCBOKMZQSMJNHJ-URWSZGRFSA-N 1 0 307.398 0.529 10 0 DCAERO O=S(=O)(c1cccc(Cl)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366983186 159302480 /nfs/dbraw/zinc/30/24/80/159302480.db2.gz QTNCLMTUUFRVIQ-NEPJUHHUSA-N 1 0 302.783 0.701 10 0 DCAERO CC(C)[NH+](CCNC(=O)N1CCN2CCOC[C@H]2C1)C(C)C ZINC000368295152 159385627 /nfs/dbraw/zinc/38/56/27/159385627.db2.gz ZECCIGNWEWNEIJ-OAHLLOKOSA-N 1 0 312.458 0.831 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000408048622 160022504 /nfs/dbraw/zinc/02/25/04/160022504.db2.gz YVTGKRWGGTXJLD-CJNGLKHVSA-N 1 0 311.426 0.350 10 0 DCAERO C[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)C[C@H]1C(N)=O ZINC000408064282 160026360 /nfs/dbraw/zinc/02/63/60/160026360.db2.gz VJXDVLJFHIGSHY-MWLCHTKSSA-N 1 0 303.353 0.543 10 0 DCAERO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000408185229 160055219 /nfs/dbraw/zinc/05/52/19/160055219.db2.gz IKIHMFGSOPNQEV-UHFFFAOYSA-N 1 0 305.444 0.257 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000408208336 160061137 /nfs/dbraw/zinc/06/11/37/160061137.db2.gz MBGBJDRMBKSXHR-KGLIPLIRSA-N 1 0 312.458 0.425 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000408237227 160065895 /nfs/dbraw/zinc/06/58/95/160065895.db2.gz MUGFSYSGFZMMBT-MELADBBJSA-N 1 0 319.471 0.757 10 0 DCAERO O=S1(=O)CCN(C2CC[NH+](CC3(O)CCC3)CC2)CC1 ZINC000408246703 160068379 /nfs/dbraw/zinc/06/83/79/160068379.db2.gz KVAHFGCPIPNKIZ-UHFFFAOYSA-N 1 0 302.440 0.096 10 0 DCAERO CN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000408340784 160088096 /nfs/dbraw/zinc/08/80/96/160088096.db2.gz FXQDNXMIRSMFCH-VXGBXAGGSA-N 1 0 305.382 0.126 10 0 DCAERO Cc1nn(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000408422120 160105057 /nfs/dbraw/zinc/10/50/57/160105057.db2.gz DZEZTUBRWUIGEA-GWCFXTLKSA-N 1 0 321.425 0.917 10 0 DCAERO 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/nfs/dbraw/zinc/71/09/49/415710949.db2.gz NTMGRTOTDCMOLB-LBPRGKRZSA-N 1 0 323.418 0.393 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)n(C)n1 ZINC000333677054 415711647 /nfs/dbraw/zinc/71/16/47/415711647.db2.gz ZBZZZTKKXDQEAX-STQMWFEESA-N 1 0 306.414 0.358 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000333676054 415712303 /nfs/dbraw/zinc/71/23/03/415712303.db2.gz NZFYCFJBMKWVGN-JSGCOSHPSA-N 1 0 323.466 0.968 10 0 DCAERO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333793822 415741593 /nfs/dbraw/zinc/74/15/93/415741593.db2.gz GPYOJDKZXIXVOW-RYUDHWBXSA-N 1 0 303.428 0.347 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333806201 415743778 /nfs/dbraw/zinc/74/37/78/415743778.db2.gz ZCZUFOHDGISPFR-MCIONIFRSA-N 1 0 307.398 0.644 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000333806171 415743956 /nfs/dbraw/zinc/74/39/56/415743956.db2.gz IOACKYUIODGTPC-OAGGEKHMSA-N 1 0 324.469 0.881 10 0 DCAERO 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CCS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173912380 416068387 /nfs/dbraw/zinc/06/83/87/416068387.db2.gz FLFIWTZPZXPKBU-VXGBXAGGSA-N 1 0 320.459 0.050 10 0 DCAERO c1ccc(-n2nnnc2CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173946203 416070014 /nfs/dbraw/zinc/07/00/14/416070014.db2.gz FBNNPOZIZWELGZ-OAHLLOKOSA-N 1 0 314.393 0.569 10 0 DCAERO O=C(CN1CC[C@H](N2CCOCC2)C1)NCc1ccccc1 ZINC000173929936 416070226 /nfs/dbraw/zinc/07/02/26/416070226.db2.gz RAAOOSRJEKJKIR-INIZCTEOSA-N 1 0 303.406 0.709 10 0 DCAERO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338278391 416072148 /nfs/dbraw/zinc/07/21/48/416072148.db2.gz GCMZWYKDVFYMLY-FRRDWIJNSA-N 1 0 306.428 0.052 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174242161 416075048 /nfs/dbraw/zinc/07/50/48/416075048.db2.gz DVZWJMPUGIMQFV-CABCVRRESA-N 1 0 310.442 0.444 10 0 DCAERO CC(C)NC(=O)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174314831 416076550 /nfs/dbraw/zinc/07/65/50/416076550.db2.gz 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416112916 /nfs/dbraw/zinc/11/29/16/416112916.db2.gz CZDBOTXRMGFBQA-LBPRGKRZSA-N 1 0 312.414 0.999 10 0 DCAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncncc3Cl)C2)CC1 ZINC000176295843 416124726 /nfs/dbraw/zinc/12/47/26/416124726.db2.gz YTNLJZFASXVZGX-GFCCVEGCSA-N 1 0 323.828 0.982 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000176484757 416128426 /nfs/dbraw/zinc/12/84/26/416128426.db2.gz PFEYMXAJIOKATB-UHFFFAOYSA-N 1 0 305.444 0.068 10 0 DCAERO O=C(N[C@H]1CCCn2ncnc21)N1CC[NH+](CC2CC2)CC1 ZINC000176586787 416129311 /nfs/dbraw/zinc/12/93/11/416129311.db2.gz LZLSOWAVCMCXRU-ZDUSSCGKSA-N 1 0 304.398 0.850 10 0 DCAERO NC(=O)c1ccc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)o1 ZINC000176645788 416130801 /nfs/dbraw/zinc/13/08/01/416130801.db2.gz DTJJUXGVLBDRCC-UHFFFAOYSA-N 1 0 306.366 0.758 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176936121 416138376 /nfs/dbraw/zinc/13/83/76/416138376.db2.gz JHZIPLVDJQHSCY-YNEHKIRRSA-N 1 0 302.440 0.752 10 0 DCAERO 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/nfs/dbraw/zinc/19/41/82/416194182.db2.gz BUBFWWDWGJBLEE-GXTWGEPZSA-N 1 0 314.426 0.926 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180981463 416202586 /nfs/dbraw/zinc/20/25/86/416202586.db2.gz FMMROWKYYIYCIQ-KRWDZBQOSA-N 1 0 324.469 0.531 10 0 DCAERO O=C(NCCNC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccn[nH]1 ZINC000181877374 416211529 /nfs/dbraw/zinc/21/15/29/416211529.db2.gz NLFPOGIHUBNPOB-UHFFFAOYSA-N 1 0 320.397 0.019 10 0 DCAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCS(=O)(=O)C3)C2)cn1 ZINC000183025860 416234585 /nfs/dbraw/zinc/23/45/85/416234585.db2.gz LJBORUSANFIEGG-CHWSQXEVSA-N 1 0 312.439 0.556 10 0 DCAERO COCc1nc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000182412314 416220513 /nfs/dbraw/zinc/22/05/13/416220513.db2.gz QGSAJRLGVLXXCO-LBPRGKRZSA-N 1 0 310.398 0.901 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000178426116 416162297 /nfs/dbraw/zinc/16/22/97/416162297.db2.gz MDIMNDKWMKHMOL-HNNXBMFYSA-N 1 0 306.410 0.986 10 0 DCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000178513902 416164784 /nfs/dbraw/zinc/16/47/84/416164784.db2.gz RIRNQOYQDPRBIL-HOTGVXAUSA-N 1 0 315.417 0.885 10 0 DCAERO CC(C)[C@H](NC(N)=O)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000183553030 416245177 /nfs/dbraw/zinc/24/51/77/416245177.db2.gz RHLGFBVJOSRATA-AWEZNQCLSA-N 1 0 319.409 0.813 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000331024823 416253489 /nfs/dbraw/zinc/25/34/89/416253489.db2.gz ADJADYLVNCVHLI-DZGCQCFKSA-N 1 0 310.442 0.140 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000331042361 416255611 /nfs/dbraw/zinc/25/56/11/416255611.db2.gz RILUIOCTJZCMSP-OAHLLOKOSA-N 1 0 324.469 0.530 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186181195 416257192 /nfs/dbraw/zinc/25/71/92/416257192.db2.gz KOHFGQJMLLDVMO-UHFFFAOYSA-N 1 0 306.410 0.976 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)n1 ZINC000193285619 416313984 /nfs/dbraw/zinc/31/39/84/416313984.db2.gz 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ZINC000261911074 416335782 /nfs/dbraw/zinc/33/57/82/416335782.db2.gz IZFZTBNYNVBPHV-ARFHVFGLSA-N 1 0 311.470 0.844 10 0 DCAERO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCOCC1 ZINC000261919482 416335920 /nfs/dbraw/zinc/33/59/20/416335920.db2.gz KBKXSRIZXMWLFF-OAGGEKHMSA-N 1 0 311.470 0.844 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1coc2ccccc12 ZINC000262059398 416335937 /nfs/dbraw/zinc/33/59/37/416335937.db2.gz DUZJSNIQGFQFJK-UHFFFAOYSA-N 1 0 301.346 0.937 10 0 DCAERO COc1cc(OC)cc(N2CC[C@H](CNC(=O)C3C[NH2+]C3)C2)c1 ZINC000262280888 416336637 /nfs/dbraw/zinc/33/66/37/416336637.db2.gz VRSLVGAFCRUEPK-GFCCVEGCSA-N 1 0 319.405 0.866 10 0 DCAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)CN1CCOCC1=O)c1ccco1 ZINC000359546906 416350188 /nfs/dbraw/zinc/35/01/88/416350188.db2.gz QVGIUADFNVYDLG-CHWSQXEVSA-N 1 0 323.393 0.684 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000194656930 416324022 /nfs/dbraw/zinc/32/40/22/416324022.db2.gz NSNFEBHJKHQLDY-GHMZBOCLSA-N 1 0 321.343 0.998 10 0 DCAERO CN(C)C(=O)N1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000195331499 416326046 /nfs/dbraw/zinc/32/60/46/416326046.db2.gz FGRSQISIEWPKOY-CQSZACIVSA-N 1 0 308.426 0.687 10 0 DCAERO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337360 416326179 /nfs/dbraw/zinc/32/61/79/416326179.db2.gz ZZKGGMWYCSCHOP-OLZOCXBDSA-N 1 0 315.439 0.107 10 0 DCAERO [NH3+]CCCNC(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000238069727 416329893 /nfs/dbraw/zinc/32/98/93/416329893.db2.gz WMCMRLNBLGMQJQ-UHFFFAOYSA-N 1 0 304.394 0.609 10 0 DCAERO CN1C(=O)C[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1cccnc1 ZINC000245713583 416331285 /nfs/dbraw/zinc/33/12/85/416331285.db2.gz ZUSCRNAFHMSVJZ-HOCLYGCPSA-N 1 0 316.405 0.765 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000246274224 416331730 /nfs/dbraw/zinc/33/17/30/416331730.db2.gz AUHCQZUZYCFTFU-AGIUHOORSA-N 1 0 306.414 0.621 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246214435 416331749 /nfs/dbraw/zinc/33/17/49/416331749.db2.gz OEGQPHBLWHPLGL-UONOGXRCSA-N 1 0 301.431 0.805 10 0 DCAERO CCOCC[C@H](O)C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000434637284 416486147 /nfs/dbraw/zinc/48/61/47/416486147.db2.gz MMVGHAGMOTWLNE-AWEZNQCLSA-N 1 0 323.441 0.452 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C)CC12COC2 ZINC000458756102 416496777 /nfs/dbraw/zinc/49/67/77/416496777.db2.gz JWTDJQFRNFKGSL-NWDGAFQWSA-N 1 0 313.398 0.158 10 0 DCAERO COC[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H]1CCCO1 ZINC000434873765 416503943 /nfs/dbraw/zinc/50/39/43/416503943.db2.gz MEOVWLAHKDBEDD-ZIAGYGMSSA-N 1 0 308.382 0.409 10 0 DCAERO CO[C@@H]1COCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000459009940 416518127 /nfs/dbraw/zinc/51/81/27/416518127.db2.gz PIMUUITVEBYEHG-GXTWGEPZSA-N 1 0 308.382 0.266 10 0 DCAERO C[C@H]1CCOCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000365345148 416603926 /nfs/dbraw/zinc/60/39/26/416603926.db2.gz QRHLBAIJRYPCPI-AWEZNQCLSA-N 1 0 319.409 0.236 10 0 DCAERO CCNC(=O)N1CC[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000540157953 416588223 /nfs/dbraw/zinc/58/82/23/416588223.db2.gz MZZVFCKBVOXSCC-CQSZACIVSA-N 1 0 318.425 0.839 10 0 DCAERO C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1[NH+](C)C ZINC000607972600 416647683 /nfs/dbraw/zinc/64/76/83/416647683.db2.gz PFFWSTMUYCRIBX-SIVJFFJCSA-N 1 0 322.409 0.115 10 0 DCAERO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)Cn1cccn1 ZINC000514926115 416684375 /nfs/dbraw/zinc/68/43/75/416684375.db2.gz VSZXOBQLWQMSNE-CYBMUJFWSA-N 1 0 309.414 0.046 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000545150648 416663089 /nfs/dbraw/zinc/66/30/89/416663089.db2.gz NIDXPKQDLZYOAS-QGZVFWFLSA-N 1 0 320.437 0.950 10 0 DCAERO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000442140313 416687561 /nfs/dbraw/zinc/68/75/61/416687561.db2.gz RRMGAIIQDMROIS-NWDGAFQWSA-N 1 0 319.409 0.685 10 0 DCAERO CCO[C@@H]1C[C@](NC(=O)[C@H](C)[NH+](C)C)(C(=O)OC)C1(C)C ZINC000614905520 416722424 /nfs/dbraw/zinc/72/24/24/416722424.db2.gz LCGBWUIWAHCTCK-RWSFTLGLSA-N 1 0 300.399 0.800 10 0 DCAERO C(c1nnnn1CC1CCOCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890375 416777477 /nfs/dbraw/zinc/77/74/77/416777477.db2.gz PDPWJUYTJBWZET-CABCVRRESA-N 1 0 320.441 0.674 10 0 DCAERO CC(=O)N1CCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000560108798 416829216 /nfs/dbraw/zinc/82/92/16/416829216.db2.gz BITIOPREHJGSAS-CQSZACIVSA-N 1 0 308.426 0.735 10 0 DCAERO CCn1cnc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000631977477 416847709 /nfs/dbraw/zinc/84/77/09/416847709.db2.gz QWGPIIPTRYXCTK-LLVKDONJSA-N 1 0 300.428 0.960 10 0 DCAERO O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000518438316 416855841 /nfs/dbraw/zinc/85/58/41/416855841.db2.gz NZCJOCPBUHNYPD-ZIAGYGMSSA-N 1 0 321.421 0.511 10 0 DCAERO C[C@H](NC(=O)N1CCO[C@]2(CCOC2)C1)C1=CC[N@H+](C)CC1 ZINC000373235843 416951712 /nfs/dbraw/zinc/95/17/12/416951712.db2.gz WJNVALIEUKVEOV-XJKSGUPXSA-N 1 0 309.410 0.838 10 0 DCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000624237950 416986966 /nfs/dbraw/zinc/98/69/66/416986966.db2.gz HSRKSCJDXFKPBW-XDTLVQLUSA-N 1 0 300.380 0.134 10 0 DCAERO CC1CCN(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000624412708 417034440 /nfs/dbraw/zinc/03/44/40/417034440.db2.gz ITOZYHWBCALOMX-OKILXGFUSA-N 1 0 301.456 0.895 10 0 DCAERO CC(C)[N@@H+]1CCCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000524367954 417102081 /nfs/dbraw/zinc/10/20/81/417102081.db2.gz YHXXJYOUMPGZKF-JKSUJKDBSA-N 1 0 300.443 0.959 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616635340 417088629 /nfs/dbraw/zinc/08/86/29/417088629.db2.gz DGRWQIXLHKGDED-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cncnc2)C1 ZINC000616653749 417090629 /nfs/dbraw/zinc/09/06/29/417090629.db2.gz HXCQUTVKUKTDNF-CYBMUJFWSA-N 1 0 307.398 0.948 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000408053738 417136455 /nfs/dbraw/zinc/13/64/55/417136455.db2.gz PIMFPMGSHJRPEY-IJEWVQPXSA-N 1 0 309.410 0.055 10 0 DCAERO NS(=O)(=O)CCN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000408457680 417162973 /nfs/dbraw/zinc/16/29/73/417162973.db2.gz QBRPILBAYYKEIR-UHFFFAOYSA-N 1 0 301.456 0.473 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408181010 417146326 /nfs/dbraw/zinc/14/63/26/417146326.db2.gz ZCAICBXIQPROEY-WCQYABFASA-N 1 0 324.343 0.871 10 0 DCAERO COC(=O)c1ccc(C(=O)NCCNc2cc[nH+]cc2)n1C ZINC000449814282 417177043 /nfs/dbraw/zinc/17/70/43/417177043.db2.gz KGGIWYDNSSMZDA-UHFFFAOYSA-N 1 0 302.334 0.471 10 0 DCAERO C[C@@H]1C[C@@H]1c1nnc2ccc(N3CC[NH+](CCCO)CC3)nn21 ZINC000450295086 417213254 /nfs/dbraw/zinc/21/32/54/417213254.db2.gz UWASXGBJIXZUQZ-OLZOCXBDSA-N 1 0 316.409 0.752 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)C1 ZINC000408460850 417164057 /nfs/dbraw/zinc/16/40/57/417164057.db2.gz RSLSQZFRQGCLRU-CHWSQXEVSA-N 1 0 311.451 0.538 10 0 DCAERO 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276123650 /nfs/dbraw/zinc/12/36/50/276123650.db2.gz XNEPLIYKUGXFOZ-UHFFFAOYSA-N 1 0 319.471 0.650 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(O)CCCN(C(C)=O)C1 ZINC000408050224 276169128 /nfs/dbraw/zinc/16/91/28/276169128.db2.gz CKMNUCCMGYJKRY-GDBMZVCRSA-N 1 0 311.426 0.303 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000116791505 276769302 /nfs/dbraw/zinc/76/93/02/276769302.db2.gz PXPZDSRAPMDLKC-CABCVRRESA-N 1 0 323.437 0.424 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000408179075 276769388 /nfs/dbraw/zinc/76/93/88/276769388.db2.gz ARVFFUVMLILCOZ-OLZOCXBDSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CCS(=O)(=O)C1 ZINC000333078771 287948168 /nfs/dbraw/zinc/94/81/68/287948168.db2.gz WPIDJFUJECIIAP-AGIUHOORSA-N 1 0 317.455 0.545 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261744604 278064299 /nfs/dbraw/zinc/06/42/99/278064299.db2.gz OIIIHYPMVPWDJI-HNNXBMFYSA-N 1 0 321.446 0.938 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323.437 0.469 10 0 DCAERO C[C@H](CO)[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175800562 341846700 /nfs/dbraw/zinc/84/67/00/341846700.db2.gz GJNSLJSEYWPTAV-OLZOCXBDSA-N 1 0 300.447 0.329 10 0 DCAERO Cc1nc(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cs1 ZINC000299744455 534384952 /nfs/dbraw/zinc/38/49/52/534384952.db2.gz SJDAQOGTYICCJC-NSHDSACASA-N 1 0 306.395 0.898 10 0 DCAERO CCN(CC)C(=O)CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261913236 520471080 /nfs/dbraw/zinc/47/10/80/520471080.db2.gz JGGHVSUJPUMZBJ-KGLIPLIRSA-N 1 0 321.425 0.050 10 0 DCAERO Cn1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000153074186 521823972 /nfs/dbraw/zinc/82/39/72/521823972.db2.gz MZZXSQPDNKRYOW-CQSZACIVSA-N 1 0 315.377 0.778 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCO1 ZINC000155273423 521850489 /nfs/dbraw/zinc/85/04/89/521850489.db2.gz YNVYTIFTKAWJOH-GFCCVEGCSA-N 1 0 312.801 0.936 10 0 DCAERO COc1cc(N2C(=O)C[C@H](N3CC[NH2+]CC3)C2=O)ccc1Cl ZINC000032500282 522630981 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/nfs/dbraw/zinc/96/96/56/546969656.db2.gz IJEICTWHGHSAJK-VHDGCEQUSA-N 1 0 316.405 0.919 10 0 DCAERO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000671492575 547225906 /nfs/dbraw/zinc/22/59/06/547225906.db2.gz UIKHCNZENQREGQ-MRXNPFEDSA-N 1 0 316.361 0.686 10 0 DCAERO C[C@H]1CN(Cc2cnc(NC(=O)CN(C)C)s2)CC[C@@H]1[NH3+] ZINC000725273039 548749885 /nfs/dbraw/zinc/74/98/85/548749885.db2.gz XPLCDERITYDLIV-JQWIXIFHSA-N 1 0 311.455 0.812 10 0 DCAERO CCCNC(=O)CN(CCC)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722244936 660492926 /nfs/dbraw/zinc/49/29/26/660492926.db2.gz REHMERRALCAIHC-LBPRGKRZSA-N 1 0 305.444 0.306 10 0 DCAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@](C)(O)CO)CC1 ZINC000094010559 660788871 /nfs/dbraw/zinc/78/88/71/660788871.db2.gz VGHPEBBYYBTXED-OAHLLOKOSA-N 1 0 302.415 0.966 10 0 DCAERO COCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400376 661115824 /nfs/dbraw/zinc/11/58/24/661115824.db2.gz GSZGPSSXNDCBCY-MXWKQRLJSA-N 1 0 301.305 0.710 10 0 DCAERO 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/nfs/dbraw/zinc/70/81/70/658708170.db2.gz WMSKYBNWEFWHOB-GFCCVEGCSA-N 1 0 308.382 0.404 10 0 DCAERO COC(CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC000160911871 658711742 /nfs/dbraw/zinc/71/17/42/658711742.db2.gz SOBOJZCSAMDFFM-ZDUSSCGKSA-N 1 0 313.442 0.670 10 0 DCAERO COC(=O)CC(C)(C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000178335819 658962140 /nfs/dbraw/zinc/96/21/40/658962140.db2.gz AEYZUCNRYOUNFQ-NSHDSACASA-N 1 0 306.428 0.589 10 0 DCAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000181380917 659186866 /nfs/dbraw/zinc/18/68/66/659186866.db2.gz MYGOBMXUXMMBLA-JTQLQIEISA-N 1 0 304.350 0.659 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000181380935 659186929 /nfs/dbraw/zinc/18/69/29/659186929.db2.gz MYGOBMXUXMMBLA-SNVBAGLBSA-N 1 0 304.350 0.659 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000261641768 661343293 /nfs/dbraw/zinc/34/32/93/661343293.db2.gz DJFDKUMUQCWRBJ-MRVPVSSYSA-N 1 0 318.370 0.807 10 0 DCAERO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261653400 661349544 /nfs/dbraw/zinc/34/95/44/661349544.db2.gz FFOLRDKHLMGKFL-ZDUSSCGKSA-N 1 0 311.426 0.457 10 0 DCAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261912178 661820064 /nfs/dbraw/zinc/82/00/64/661820064.db2.gz JEBYAEJUYDFPHF-BFHYXJOUSA-N 1 0 318.483 0.946 10 0 DCAERO COc1ccc([C@@H]2[C@@H](C(=O)NCC3C[NH2+]C3)CC(=O)N2C)cc1 ZINC000261940318 661893246 /nfs/dbraw/zinc/89/32/46/661893246.db2.gz GXFSCNKAIYZYGC-GOEBONIOSA-N 1 0 317.389 0.550 10 0 DCAERO CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262235164 662187594 /nfs/dbraw/zinc/18/75/94/662187594.db2.gz KMBSBLOZHXQDJR-SWLSCSKDSA-N 1 0 317.389 0.370 10 0 DCAERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000897006720 662382636 /nfs/dbraw/zinc/38/26/36/662382636.db2.gz SSUPHKPRXLNRCP-CABCVRRESA-N 1 0 317.389 0.782 10 0 DCAERO C[C@H](Cn1cccn1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262448297 662392085 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CC[N@@H+]1CC[C@H](N(C)C(=O)NCCS(C)(=O)=O)[C@H](C)C1 ZINC000120697930 667340347 /nfs/dbraw/zinc/34/03/47/667340347.db2.gz HXWHGSRNVRWIAQ-NEPJUHHUSA-N 1 0 305.444 0.403 10 0 DCAERO CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120870982 667361001 /nfs/dbraw/zinc/36/10/01/667361001.db2.gz PPULRKPXXZUBMR-QWHCGFSZSA-N 1 0 319.471 0.791 10 0 DCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705667196 667364296 /nfs/dbraw/zinc/36/42/96/667364296.db2.gz JTOQIFLQWRQALZ-ZDEQEGDKSA-N 1 0 300.399 0.981 10 0 DCAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000710900517 667447009 /nfs/dbraw/zinc/44/70/09/667447009.db2.gz QIBRNDKERPHOLX-NSHDSACASA-N 1 0 318.439 0.878 10 0 DCAERO [NH2+]=C(NCc1cn(-c2ccccc2)nn1)NC[C@@H]1CCCO1 ZINC000086999468 667536703 /nfs/dbraw/zinc/53/67/03/667536703.db2.gz RBPNPLCONAVOMN-AWEZNQCLSA-N 1 0 300.366 0.851 10 0 DCAERO C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717052767 667867469 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/nfs/dbraw/zinc/08/60/85/396086085.db2.gz RJKSVRRVFLJDFB-BFHYXJOUSA-N 1 0 316.467 0.558 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000261980186 396086777 /nfs/dbraw/zinc/08/67/77/396086777.db2.gz BYIWUPSZRQDAGX-UONOGXRCSA-N 1 0 323.441 0.723 10 0 DCAERO [NH3+][C@H](C(=O)NCCC(=O)NC1CCCCC1)C1CCOCC1 ZINC000262006262 396089033 /nfs/dbraw/zinc/08/90/33/396089033.db2.gz NUQUYRARURBJLP-HNNXBMFYSA-N 1 0 311.426 0.696 10 0 DCAERO C[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000262448871 396141105 /nfs/dbraw/zinc/14/11/05/396141105.db2.gz VPSVTABLYYRELC-BETUJISGSA-N 1 0 306.410 0.921 10 0 DCAERO C[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000262448873 396141198 /nfs/dbraw/zinc/14/11/98/396141198.db2.gz VPSVTABLYYRELC-CHWSQXEVSA-N 1 0 306.410 0.921 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)c1cnco1 ZINC000169791086 396093562 /nfs/dbraw/zinc/09/35/62/396093562.db2.gz FPNCDKJWLOTEMD-TZMCWYRMSA-N 1 0 322.409 0.445 10 0 DCAERO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCOCC1 ZINC000170804598 396097597 /nfs/dbraw/zinc/09/75/97/396097597.db2.gz DGXFRZOZPCLKSU-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO C[NH2+]CCC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000070189507 396100577 /nfs/dbraw/zinc/10/05/77/396100577.db2.gz GURGBGGRPPATSV-BETUJISGSA-N 1 0 319.471 0.662 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000171038290 396104551 /nfs/dbraw/zinc/10/45/51/396104551.db2.gz YKNWZXWNVBQECP-ZIAGYGMSSA-N 1 0 300.447 0.737 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000171077234 396105321 /nfs/dbraw/zinc/10/53/21/396105321.db2.gz MYILRTYABOCBEQ-NSHDSACASA-N 1 0 310.402 0.481 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000171084800 396106356 /nfs/dbraw/zinc/10/63/56/396106356.db2.gz WPDXXZAZUMQDBH-NSHDSACASA-N 1 0 319.344 0.969 10 0 DCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000071189444 396110740 /nfs/dbraw/zinc/11/07/40/396110740.db2.gz ZRVWAZJPAGSPOX-VIFPVBQESA-N 1 0 306.819 0.646 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171384675 396116429 /nfs/dbraw/zinc/11/64/29/396116429.db2.gz VNMKFKBSYOUGJX-HUUCEWRRSA-N 1 0 317.389 0.971 10 0 DCAERO Cc1nc(CN2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cs1 ZINC000262305364 396120402 /nfs/dbraw/zinc/12/04/02/396120402.db2.gz PAQDESQBNWDQPK-UHFFFAOYSA-N 1 0 324.450 0.604 10 0 DCAERO C[C@H](C[NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000262309178 396121681 /nfs/dbraw/zinc/12/16/81/396121681.db2.gz CRAHIDSZWDEAAT-SNVBAGLBSA-N 1 0 301.341 0.517 10 0 DCAERO O=S(=O)(c1cnc2n1CCC2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262325019 396124661 /nfs/dbraw/zinc/12/46/61/396124661.db2.gz QYSVSHRSBPXYRZ-CYBMUJFWSA-N 1 0 324.450 0.982 10 0 DCAERO Cn1cc(N2CC[C@@H](N3CCC[N@@H+](C4CC4)CC3)C2=O)cn1 ZINC000172542461 396132111 /nfs/dbraw/zinc/13/21/11/396132111.db2.gz FAHDWGGACGMUIZ-OAHLLOKOSA-N 1 0 303.410 0.696 10 0 DCAERO C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1N1CCOCC1 ZINC000175620685 396140232 /nfs/dbraw/zinc/14/02/32/396140232.db2.gz UCUJITTVKMQCLC-ZFWWWQNUSA-N 1 0 310.442 0.443 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CCC(C)C ZINC000069500668 396081506 /nfs/dbraw/zinc/08/15/06/396081506.db2.gz CHIVJKHJZCBKAT-CQSZACIVSA-N 1 0 313.442 0.766 10 0 DCAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000261962017 396084226 /nfs/dbraw/zinc/08/42/26/396084226.db2.gz XXGIQDPUPRFQOW-AWEZNQCLSA-N 1 0 319.409 0.878 10 0 DCAERO COc1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263203120 396206253 /nfs/dbraw/zinc/20/62/53/396206253.db2.gz JHRMQAAWWVKJSB-JQWIXIFHSA-N 1 0 302.321 0.967 10 0 DCAERO C[NH2+]CCN(C)C(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000263231961 396207413 /nfs/dbraw/zinc/20/74/13/396207413.db2.gz IKRAARIXPIIIAL-UHFFFAOYSA-N 1 0 311.426 0.474 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000263248404 396208897 /nfs/dbraw/zinc/20/88/97/396208897.db2.gz POBHMCFJPUULNH-GPCCPHFNSA-N 1 0 323.422 0.772 10 0 DCAERO Cn1cc(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000262495078 396146919 /nfs/dbraw/zinc/14/69/19/396146919.db2.gz LHOOVZQLIAHBRF-XJKCOSOUSA-N 1 0 306.410 0.611 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262597940 396159683 /nfs/dbraw/zinc/15/96/83/396159683.db2.gz LVOFZTSEJDVQQA-NEPJUHHUSA-N 1 0 300.362 0.683 10 0 DCAERO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C1C[NH2+]C1 ZINC000262595533 396159723 /nfs/dbraw/zinc/15/97/23/396159723.db2.gz WZHGDVWOOOZPFD-IUODEOHRSA-N 1 0 301.390 0.759 10 0 DCAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1NS(C)(=O)=O ZINC000262645398 396167734 /nfs/dbraw/zinc/16/77/34/396167734.db2.gz IXCZMXDOHHAAKT-SNVBAGLBSA-N 1 0 313.379 0.757 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177233863 396170016 /nfs/dbraw/zinc/17/00/16/396170016.db2.gz RSZKHSYSYHHDSN-HOCLYGCPSA-N 1 0 318.421 0.350 10 0 DCAERO C[NH+](C)[C@@H](CNC(=O)CSC[C@H](O)CO)c1ccccc1 ZINC000177408567 396174435 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C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262831351 396186192 /nfs/dbraw/zinc/18/61/92/396186192.db2.gz QJGAHAIGBXZYAI-PWSUYJOCSA-N 1 0 316.361 0.216 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(-n3cnnn3)c2)n1 ZINC000263297452 396211940 /nfs/dbraw/zinc/21/19/40/396211940.db2.gz WONLMZMVKPOROV-LBPRGKRZSA-N 1 0 312.337 0.288 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000262958666 396194495 /nfs/dbraw/zinc/19/44/95/396194495.db2.gz WHYJXYRVKZWEIL-DGCLKSJQSA-N 1 0 303.366 0.808 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2ccc(C(N)=O)cc2)n1 ZINC000263132153 396203067 /nfs/dbraw/zinc/20/30/67/396203067.db2.gz BUONMLOQFNHSDQ-GFCCVEGCSA-N 1 0 317.349 0.324 10 0 DCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000263148005 396203619 /nfs/dbraw/zinc/20/36/19/396203619.db2.gz CWUIXGPWFFVIOH-VHSXEESVSA-N 1 0 316.304 0.687 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000263148003 396203646 /nfs/dbraw/zinc/20/36/46/396203646.db2.gz CWUIXGPWFFVIOH-UWVGGRQHSA-N 1 0 316.304 0.687 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2noc(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000181841309 396242960 /nfs/dbraw/zinc/24/29/60/396242960.db2.gz PNCSRTYALTZMFY-PWSUYJOCSA-N 1 0 311.386 0.365 10 0 DCAERO CC[C@@H]1CN(C(=O)NCC(C)(C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000181860099 396243356 /nfs/dbraw/zinc/24/33/56/396243356.db2.gz UWWMDGYPIKAWLC-CHWSQXEVSA-N 1 0 301.431 0.898 10 0 DCAERO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182857142 396255790 /nfs/dbraw/zinc/25/57/90/396255790.db2.gz WLXMFNQODATAMD-LLVKDONJSA-N 1 0 313.423 0.853 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000178994249 396217892 /nfs/dbraw/zinc/21/78/92/396217892.db2.gz KEUWXBJKKXWIBQ-AWEZNQCLSA-N 1 0 320.393 0.706 10 0 DCAERO COc1ccc(Cl)cc1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179180353 396223041 /nfs/dbraw/zinc/22/30/41/396223041.db2.gz YOUJAMPMTSFRRV-GHMZBOCLSA-N 1 0 314.769 0.715 10 0 DCAERO CC(C)[C@H](O)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179293459 396225168 /nfs/dbraw/zinc/22/51/68/396225168.db2.gz ZWCZCXOTTPBXMJ-CQSZACIVSA-N 1 0 300.447 0.329 10 0 DCAERO CCOC(=O)c1cn(C)nc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000184023368 396280805 /nfs/dbraw/zinc/28/08/05/396280805.db2.gz CEJSWJUUEXWFAF-UHFFFAOYSA-N 1 0 309.370 0.766 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935473 396311530 /nfs/dbraw/zinc/31/15/30/396311530.db2.gz NDCZPXPKVBVHIA-GJZGRUSLSA-N 1 0 312.458 0.569 10 0 DCAERO CNC(=O)CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000184989815 396313107 /nfs/dbraw/zinc/31/31/07/396313107.db2.gz DSBVIVLRDDCNNY-CABCVRRESA-N 1 0 319.405 0.122 10 0 DCAERO COc1cc(N2CC[NH+](CCCn3ccnc3)CC2)ncn1 ZINC000184084660 396284149 /nfs/dbraw/zinc/28/41/49/396284149.db2.gz UGRGJCHPWJDMRN-UHFFFAOYSA-N 1 0 302.382 0.894 10 0 DCAERO CNC(=O)CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185141783 396319619 /nfs/dbraw/zinc/31/96/19/396319619.db2.gz GYPLEZXOKNKZMV-OAHLLOKOSA-N 1 0 303.406 0.803 10 0 DCAERO CC1(Cn2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)nn2)COC1 ZINC000184800351 396306792 /nfs/dbraw/zinc/30/67/92/396306792.db2.gz JKVMPBKMFYBAJH-LBPRGKRZSA-N 1 0 305.382 0.235 10 0 DCAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000185389802 396326469 /nfs/dbraw/zinc/32/64/69/396326469.db2.gz SMFPANTXDKNKON-HUUCEWRRSA-N 1 0 314.474 0.671 10 0 DCAERO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](C[NH3+])C1 ZINC000261889794 296533795 /nfs/dbraw/zinc/53/37/95/296533795.db2.gz VBIVIAMJLQVIHJ-GRYCIOLGSA-N 1 0 305.382 0.348 10 0 DCAERO Cc1cc(N2CC[C@@H]([N@H+](C)CC3(O)CCOCC3)C2=O)n(C)n1 ZINC000187112892 396363676 /nfs/dbraw/zinc/36/36/76/396363676.db2.gz KIZBUIIFSHZLPS-CYBMUJFWSA-N 1 0 322.409 0.307 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000186326342 396348099 /nfs/dbraw/zinc/34/80/99/396348099.db2.gz QBOWVFVAADQFPG-VXGBXAGGSA-N 1 0 305.444 0.305 10 0 DCAERO COc1ccc(OC)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188756097 396385807 /nfs/dbraw/zinc/38/58/07/396385807.db2.gz CSTORKIDGXBZMM-GFCCVEGCSA-N 1 0 308.378 0.842 10 0 DCAERO C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)[N@H+](C)C1CC1 ZINC000188841460 396387537 /nfs/dbraw/zinc/38/75/37/396387537.db2.gz AMYQNRNGVSAXTE-NSHDSACASA-N 1 0 308.426 0.779 10 0 DCAERO COc1cccc(COC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189342012 396394344 /nfs/dbraw/zinc/39/43/44/396394344.db2.gz UDZSAKVBIIMQAG-HIFRSBDPSA-N 1 0 322.405 0.783 10 0 DCAERO CC(=O)NC1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000190290999 396404323 /nfs/dbraw/zinc/40/43/23/396404323.db2.gz CJAVTMPCLWLTBA-HZPDHXFCSA-N 1 0 316.405 0.962 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)nn1C ZINC000190349414 396405314 /nfs/dbraw/zinc/40/53/14/396405314.db2.gz JQJGRUPVVPGHTA-QWHCGFSZSA-N 1 0 319.409 0.752 10 0 DCAERO CC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)OCCCO1 ZINC000191148825 396416103 /nfs/dbraw/zinc/41/61/03/396416103.db2.gz BPFIQWGRRPXPFG-AWEZNQCLSA-N 1 0 312.410 0.899 10 0 DCAERO C[C@@H]1C(=O)NCCCN1C(=O)NCCCNc1ccccn1 ZINC000191406820 396418789 /nfs/dbraw/zinc/41/87/89/396418789.db2.gz UJTHPDCXDVITTA-GFCCVEGCSA-N 1 0 305.382 0.804 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000268867887 396375671 /nfs/dbraw/zinc/37/56/71/396375671.db2.gz FTHZMLBGMPFFQJ-RISCZKNCSA-N 1 0 302.378 0.410 10 0 DCAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)co1 ZINC000188106706 396379144 /nfs/dbraw/zinc/37/91/44/396379144.db2.gz VFAUZUIZKKVRIM-LBPRGKRZSA-N 1 0 301.350 0.927 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1 ZINC000193232038 396446792 /nfs/dbraw/zinc/44/67/92/396446792.db2.gz JDBOXMBGRAZCQP-UHFFFAOYSA-N 1 0 311.407 0.372 10 0 DCAERO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(O)c1 ZINC000371666926 396473764 /nfs/dbraw/zinc/47/37/64/396473764.db2.gz XUCSQVRVHMOOFE-OAHLLOKOSA-N 1 0 319.405 0.529 10 0 DCAERO CC[C@@H](C)[C@@H]1CN(C[C@H](O)COC)CC[N@@H+]1C[C@H](O)COC ZINC000562112358 396651629 /nfs/dbraw/zinc/65/16/29/396651629.db2.gz OVGJZFJIHLHXBD-UGUYLWEFSA-N 1 0 318.458 0.033 10 0 DCAERO c1cnc(N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nn1 ZINC000629545964 396782846 /nfs/dbraw/zinc/78/28/46/396782846.db2.gz BBPSYECYRQDCGG-UHFFFAOYSA-N 1 0 310.405 0.840 10 0 DCAERO O=C(CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000375465909 396753010 /nfs/dbraw/zinc/75/30/10/396753010.db2.gz RHFFPRNUJHIJBK-CYBMUJFWSA-N 1 0 320.393 0.985 10 0 DCAERO COC(=O)[C@]1(C)CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000610743607 396759103 /nfs/dbraw/zinc/75/91/03/396759103.db2.gz DABOIYLRELRBJN-OAHLLOKOSA-N 1 0 323.397 0.862 10 0 DCAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=NNC(=O)CC1 ZINC000309759929 396759364 /nfs/dbraw/zinc/75/93/64/396759364.db2.gz XTOQPVIFGPIODN-AWEZNQCLSA-N 1 0 314.389 0.891 10 0 DCAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2COCCN2C)cc1 ZINC000629600352 396804208 /nfs/dbraw/zinc/80/42/08/396804208.db2.gz UTPXDHPQTFBEOH-HOTGVXAUSA-N 1 0 322.405 0.549 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(CCO)CCCCC2)C1 ZINC000338274580 396950409 /nfs/dbraw/zinc/95/04/09/396950409.db2.gz KTTWUCDUUBFUCT-ZDUSSCGKSA-N 1 0 304.456 0.943 10 0 DCAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000591632721 396952446 /nfs/dbraw/zinc/95/24/46/396952446.db2.gz HGLHOFSNWJHEQR-HNNXBMFYSA-N 1 0 320.389 0.814 10 0 DCAERO CO[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630357134 396992658 /nfs/dbraw/zinc/99/26/58/396992658.db2.gz WKLRFXDMYJBERR-YVEFUNNKSA-N 1 0 317.389 0.721 10 0 DCAERO C[NH+]1CCN(C[C@H]2CN(C(=O)N[C@@H]3CC3(C)C)CCO2)CC1 ZINC000601270912 397037728 /nfs/dbraw/zinc/03/77/28/397037728.db2.gz BQCNYFBCASOZFM-UONOGXRCSA-N 1 0 310.442 0.443 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)N1CCCC1 ZINC000601073794 397000583 /nfs/dbraw/zinc/00/05/83/397000583.db2.gz PUWZKAYKSMKBPK-HUUCEWRRSA-N 1 0 306.410 0.578 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)n2cc3c(n2)[C@H]([NH3+])CCC3)CC1 ZINC000573110822 397136452 /nfs/dbraw/zinc/13/64/52/397136452.db2.gz FGNNSIIRGFDUSJ-BXUZGUMPSA-N 1 0 319.409 0.471 10 0 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/nfs/dbraw/zinc/34/65/00/397346500.db2.gz OPUXIMNYNQVKSK-RYUDHWBXSA-N 1 0 300.362 0.859 10 0 DCAERO CC(=O)N[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000620964113 397324387 /nfs/dbraw/zinc/32/43/87/397324387.db2.gz UTQCDDGMEVOCGO-CABCVRRESA-N 1 0 313.442 0.716 10 0 DCAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602500839 397421148 /nfs/dbraw/zinc/42/11/48/397421148.db2.gz QHNBGNLUDVITGK-DZGCQCFKSA-N 1 0 321.421 0.713 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000466902046 397446269 /nfs/dbraw/zinc/44/62/69/397446269.db2.gz DGWKSRWVVYWVPG-AVGNSLFASA-N 1 0 314.430 0.296 10 0 DCAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000401568934 533674288 /nfs/dbraw/zinc/67/42/88/533674288.db2.gz CUICCCHPYLXQGO-UPJWGTAASA-N 1 0 318.373 0.346 10 0 DCAERO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1O ZINC000614504839 397454046 /nfs/dbraw/zinc/45/40/46/397454046.db2.gz GVYALYOJIMKELP-AWEZNQCLSA-N 1 0 317.389 0.715 10 0 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ZINC000081520065 158083531 /nfs/dbraw/zinc/08/35/31/158083531.db2.gz JYOVGHLAMYELJI-QWHCGFSZSA-N 1 0 311.426 0.470 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1C ZINC000085362669 158090302 /nfs/dbraw/zinc/09/03/02/158090302.db2.gz NPRQIFQLFCHYIO-NWDGAFQWSA-N 1 0 311.407 0.969 10 0 DCAERO CCOCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818023 158131380 /nfs/dbraw/zinc/13/13/80/158131380.db2.gz MBXJPEWIJXBRAB-OAHLLOKOSA-N 1 0 313.442 0.276 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000105898763 158132269 /nfs/dbraw/zinc/13/22/69/158132269.db2.gz LDTUHAJYBFRVEN-LLVKDONJSA-N 1 0 306.370 0.245 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCN1C(=O)NC(C)(C)C1=O ZINC000113269160 158146571 /nfs/dbraw/zinc/14/65/71/158146571.db2.gz OHFYJRQPMQEODM-QWHCGFSZSA-N 1 0 308.426 0.875 10 0 DCAERO CS(=O)(=O)N[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000116888860 158167110 /nfs/dbraw/zinc/16/71/10/158167110.db2.gz HBPWQYURLVPHKZ-VIFPVBQESA-N 1 0 304.334 0.579 10 0 DCAERO CCN(CC)C(=O)CCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785447 158167674 /nfs/dbraw/zinc/16/76/74/158167674.db2.gz ORCREDUHOHKMMB-AWEZNQCLSA-N 1 0 313.442 0.814 10 0 DCAERO CCOc1ncccc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117030768 158170166 /nfs/dbraw/zinc/17/01/66/158170166.db2.gz YTKKJIHCWCTALN-CQSZACIVSA-N 1 0 322.409 0.952 10 0 DCAERO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000119118196 158182341 /nfs/dbraw/zinc/18/23/41/158182341.db2.gz FRSUMCXNYZNHGW-NSHDSACASA-N 1 0 321.343 0.903 10 0 DCAERO O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCNC(=O)CC1 ZINC000120610110 158200785 /nfs/dbraw/zinc/20/07/85/158200785.db2.gz XIPCTDLBSPCMQT-HNNXBMFYSA-N 1 0 305.353 0.967 10 0 DCAERO C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(C)(C)C[NH+](C)C ZINC000120648784 158202084 /nfs/dbraw/zinc/20/20/84/158202084.db2.gz FTVGWXGYUMQLBA-RYUDHWBXSA-N 1 0 308.430 0.868 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CCC([NH+]3CCCC3)CC2)C1=O ZINC000121093010 158207727 /nfs/dbraw/zinc/20/77/27/158207727.db2.gz IMFJOPZUYACLDC-UHFFFAOYSA-N 1 0 322.409 0.404 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123619163 158231839 /nfs/dbraw/zinc/23/18/39/158231839.db2.gz MWVITEUVQNJHQJ-RWMBFGLXSA-N 1 0 319.471 0.838 10 0 DCAERO C[C@@H]1C[NH2+]CCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000125027322 158250212 /nfs/dbraw/zinc/25/02/12/158250212.db2.gz JMRYNVFXUYVQPY-LLVKDONJSA-N 1 0 301.350 0.885 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000128439289 158281147 /nfs/dbraw/zinc/28/11/47/158281147.db2.gz PZVAYJVTHZKBFQ-WBVHZDCISA-N 1 0 323.437 0.304 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000130014744 158292364 /nfs/dbraw/zinc/29/23/64/158292364.db2.gz QVLNLLMHEJCNLP-STQMWFEESA-N 1 0 320.441 0.748 10 0 DCAERO CCS(=O)(=O)NCCCN1CCC([NH+]2CCCC2)CC1 ZINC000130875924 158297771 /nfs/dbraw/zinc/29/77/71/158297771.db2.gz VSXXUAPRWKXNDF-UHFFFAOYSA-N 1 0 303.472 0.876 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC000132419287 158310814 /nfs/dbraw/zinc/31/08/14/158310814.db2.gz QMKHVYBKIXVZLU-AGIUHOORSA-N 1 0 319.471 0.790 10 0 DCAERO CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136269589 158342342 /nfs/dbraw/zinc/34/23/42/158342342.db2.gz KLJFLOTYLVLEQS-KGLIPLIRSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)cn2)C[C@H](C)O1 ZINC000164669651 158363618 /nfs/dbraw/zinc/36/36/18/158363618.db2.gz YZEZHXSYBFTJNF-TXEJJXNPSA-N 1 0 304.394 0.803 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000170859814 158376961 /nfs/dbraw/zinc/37/69/61/158376961.db2.gz GODJTRVNNSOZJT-NSHDSACASA-N 1 0 311.332 0.857 10 0 DCAERO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)n1cncn1 ZINC000170953335 158378086 /nfs/dbraw/zinc/37/80/86/158378086.db2.gz PEOZNAIUEDGJEX-GJZGRUSLSA-N 1 0 320.441 0.468 10 0 DCAERO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804042 158399784 /nfs/dbraw/zinc/39/97/84/158399784.db2.gz VXUNHZHWXBDHOH-DZGCQCFKSA-N 1 0 322.453 0.269 10 0 DCAERO C[C@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H]1[NH3+] ZINC000235738493 158632427 /nfs/dbraw/zinc/63/24/27/158632427.db2.gz ZLHKEZXIKQGMKY-CABZTGNLSA-N 1 0 308.359 0.761 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])C2)cn1 ZINC000261839107 158744739 /nfs/dbraw/zinc/74/47/39/158744739.db2.gz UTFPZFNZGDROBM-UMVBOHGHSA-N 1 0 305.426 0.880 10 0 DCAERO CC(=O)N1CCN(c2ccccc2CNC2=[NH+]CCCN2)CC1 ZINC000262025599 158764674 /nfs/dbraw/zinc/76/46/74/158764674.db2.gz ZQZMLKKMHRIDEM-UHFFFAOYSA-N 1 0 315.421 0.794 10 0 DCAERO O=C(COc1cccc2ccccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262086083 158771197 /nfs/dbraw/zinc/77/11/97/158771197.db2.gz CRQKNRDSSPIGIX-DZGCQCFKSA-N 1 0 300.358 0.915 10 0 DCAERO Cc1ccc(-c2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)on2)cc1 ZINC000262098184 158773008 /nfs/dbraw/zinc/77/30/08/158773008.db2.gz DOKUUSSAQBUJOO-OCCSQVGLSA-N 1 0 301.346 0.960 10 0 DCAERO 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ZINC000330300447 159157456 /nfs/dbraw/zinc/15/74/56/159157456.db2.gz NENQWFJZEHJRHA-HIFRSBDPSA-N 1 0 302.382 0.524 10 0 DCAERO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000332774153 159213398 /nfs/dbraw/zinc/21/33/98/159213398.db2.gz KVIZTXXXXDARIE-SKDRFNHKSA-N 1 0 308.407 0.695 10 0 DCAERO C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000332884713 159216041 /nfs/dbraw/zinc/21/60/41/159216041.db2.gz OETJTJBJKMEJNX-JGGQBBKZSA-N 1 0 312.410 0.143 10 0 DCAERO COCCN(C)c1ccc(CN2CCN3CCOC[C@H]3C2)cn1 ZINC000366786335 159286335 /nfs/dbraw/zinc/28/63/35/159286335.db2.gz FHCSANAJHFGLPM-MRXNPFEDSA-N 1 0 320.437 0.681 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N(C)C3CC[NH+](C)CC3)nc2n1 ZINC000407978948 160001309 /nfs/dbraw/zinc/00/13/09/160001309.db2.gz KYOHQAPPLCYPDK-UHFFFAOYSA-N 1 0 316.409 0.836 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000407987436 160003677 /nfs/dbraw/zinc/00/36/77/160003677.db2.gz QCBNXBALYJSZIB-VXGBXAGGSA-N 1 0 311.430 0.430 10 0 DCAERO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000407993738 160005303 /nfs/dbraw/zinc/00/53/03/160005303.db2.gz SOXZAYMEVDHNLG-RRFJBIMHSA-N 1 0 323.437 0.886 10 0 DCAERO CN(C(=O)c1cnc2ccccn2c1=O)C1CC[NH+](C)CC1 ZINC000408016667 160011738 /nfs/dbraw/zinc/01/17/38/160011738.db2.gz MIKXINORQFHNEO-UHFFFAOYSA-N 1 0 300.362 0.861 10 0 DCAERO O=C(NCc1cn2c(n1)CCCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408029812 160016492 /nfs/dbraw/zinc/01/64/92/160016492.db2.gz JJQPIIAALUNMDJ-AWEZNQCLSA-N 1 0 303.410 0.226 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000408044763 160021488 /nfs/dbraw/zinc/02/14/88/160021488.db2.gz ORXDKSCWRFWRIH-MGPQQGTHSA-N 1 0 320.455 0.178 10 0 DCAERO C[NH+](C)CC1(C(=O)N2CCC[C@](O)(C(N)=O)C2)CCCCC1 ZINC000408057020 160024987 /nfs/dbraw/zinc/02/49/87/160024987.db2.gz OQZTUZQXDKIUSJ-MRXNPFEDSA-N 1 0 311.426 0.337 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)nc2n1 ZINC000408073201 160029539 /nfs/dbraw/zinc/02/95/39/160029539.db2.gz TYPBGTNMWHRJDD-CHWSQXEVSA-N 1 0 316.409 0.835 10 0 DCAERO Cc1cccn2c(=O)c(C(=O)N3CCC[N@@H+](C)CC3)cnc12 ZINC000408097833 160035094 /nfs/dbraw/zinc/03/50/94/160035094.db2.gz OEFQMWXHIFQFNW-UHFFFAOYSA-N 1 0 300.362 0.781 10 0 DCAERO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408140074 160045778 /nfs/dbraw/zinc/04/57/78/160045778.db2.gz QGDIGYWBVUHHMZ-OLZOCXBDSA-N 1 0 317.455 0.257 10 0 DCAERO NS(=O)(=O)N1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000408175409 160052826 /nfs/dbraw/zinc/05/28/26/160052826.db2.gz ZFCOWEHCKUDLCT-ZDUSSCGKSA-N 1 0 309.435 0.613 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408209925 160060703 /nfs/dbraw/zinc/06/07/03/160060703.db2.gz FKBPCBPLDKFQTA-LXTVHRRPSA-N 1 0 313.442 0.898 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408231593 160064337 /nfs/dbraw/zinc/06/43/37/160064337.db2.gz IQZBKOJQBHNBIB-DTWKUNHWSA-N 1 0 304.334 0.171 10 0 DCAERO CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230177 160064523 /nfs/dbraw/zinc/06/45/23/160064523.db2.gz DAEFEKLBZDPNGV-PWSUYJOCSA-N 1 0 303.353 0.558 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000408306071 160081383 /nfs/dbraw/zinc/08/13/83/160081383.db2.gz OVOQIQQELBBOSU-LLVKDONJSA-N 1 0 303.428 0.299 10 0 DCAERO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000408308857 160082595 /nfs/dbraw/zinc/08/25/95/160082595.db2.gz WUQUGOPOQSHSNI-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000408308862 160082625 /nfs/dbraw/zinc/08/26/25/160082625.db2.gz WUQUGOPOQSHSNI-ZIAGYGMSSA-N 1 0 304.456 0.941 10 0 DCAERO CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000408380203 160095890 /nfs/dbraw/zinc/09/58/90/160095890.db2.gz VHPYTTJZFXKBSR-MRVWCRGKSA-N 1 0 308.426 0.779 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCO2)cn1 ZINC000408405050 160101881 /nfs/dbraw/zinc/10/18/81/160101881.db2.gz HQQFFIOKKSQDTA-DZGCQCFKSA-N 1 0 319.409 0.740 10 0 DCAERO CCCNC(=O)CCCC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000131531865 287001037 /nfs/dbraw/zinc/00/10/37/287001037.db2.gz VJGFIBWUBRBYLB-AWEZNQCLSA-N 1 0 313.442 0.598 10 0 DCAERO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000135564276 287023223 /nfs/dbraw/zinc/02/32/23/287023223.db2.gz HXXZAQBXCPHCMX-XUXIUFHCSA-N 1 0 311.426 0.611 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000152090652 287038109 /nfs/dbraw/zinc/03/81/09/287038109.db2.gz FYLUORBIQNLWGL-UHFFFAOYSA-N 1 0 305.382 0.538 10 0 DCAERO CC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CC(F)F ZINC000153367478 287049512 /nfs/dbraw/zinc/04/95/12/287049512.db2.gz DOLQTKCEKHXKNM-LLVKDONJSA-N 1 0 318.368 0.590 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(N)nc(N(C)C)n2)[C@H](C)C1 ZINC000177127489 287053382 /nfs/dbraw/zinc/05/33/82/287053382.db2.gz WDBJZEWIBNADIG-NEPJUHHUSA-N 1 0 307.446 0.682 10 0 DCAERO 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C[NH+](C)CCN1CCC(NC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000132402147 415933647 /nfs/dbraw/zinc/93/36/47/415933647.db2.gz NTESFCYRCMGABM-OAHLLOKOSA-N 1 0 319.453 0.903 10 0 DCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000171926153 416041793 /nfs/dbraw/zinc/04/17/93/416041793.db2.gz MPBRZPPXZZNSET-QWRGUYRKSA-N 1 0 310.398 0.341 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCCN2CCOCC2)CCO1 ZINC000172308083 416045689 /nfs/dbraw/zinc/04/56/89/416045689.db2.gz FOQGMXKCOQUDBP-OAHLLOKOSA-N 1 0 313.442 0.278 10 0 DCAERO CC1CC[NH+](CCNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000173031298 416053090 /nfs/dbraw/zinc/05/30/90/416053090.db2.gz PONUDSGNMDDGLN-UONOGXRCSA-N 1 0 319.471 0.662 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCOCC1 ZINC000173273224 416055055 /nfs/dbraw/zinc/05/50/55/416055055.db2.gz MFDTTZFEFXKYSJ-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000173274151 416055582 /nfs/dbraw/zinc/05/55/82/416055582.db2.gz OFFYFTQYDRVJQA-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)NC[C@H]1CCC[C@H](O)C1 ZINC000173890899 416068796 /nfs/dbraw/zinc/06/87/96/416068796.db2.gz RYXLBBWXLNMTRZ-GJZGRUSLSA-N 1 0 313.442 0.949 10 0 DCAERO O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948830 416070457 /nfs/dbraw/zinc/07/04/57/416070457.db2.gz SROSOZACGAGQNS-NWDGAFQWSA-N 1 0 321.343 0.556 10 0 DCAERO CC(C)c1nnnn1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174277289 416076643 /nfs/dbraw/zinc/07/66/43/416076643.db2.gz KMVUMVCCEJPSCZ-CYBMUJFWSA-N 1 0 306.414 0.741 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)c1c(C)nn(C)c1C ZINC000170809383 416033521 /nfs/dbraw/zinc/03/35/21/416033521.db2.gz PNBPUGJDSSTJQP-ZDUSSCGKSA-N 1 0 322.409 0.447 10 0 DCAERO CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)nc(C)n2)CC1 ZINC000301385206 416083479 /nfs/dbraw/zinc/08/34/79/416083479.db2.gz VJDVILROYHBOML-UHFFFAOYSA-N 1 0 305.426 0.988 10 0 DCAERO NS(=O)(=O)c1cnc(NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000174684622 416083682 /nfs/dbraw/zinc/08/36/82/416083682.db2.gz BSIGAURFOPYGHQ-VIFPVBQESA-N 1 0 320.440 0.049 10 0 DCAERO NC(=O)c1ccc(NCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000174663238 416084741 /nfs/dbraw/zinc/08/47/41/416084741.db2.gz NNXXCPPKACVEQK-AWEZNQCLSA-N 1 0 302.378 0.504 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)CC ZINC000174674477 416084780 /nfs/dbraw/zinc/08/47/80/416084780.db2.gz PTYYOUVBCRUYBA-QWHCGFSZSA-N 1 0 317.455 0.689 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ncncc1Cl ZINC000175215125 416099357 /nfs/dbraw/zinc/09/93/57/416099357.db2.gz YOCSYYKDLXFXEE-UHFFFAOYSA-N 1 0 311.817 0.840 10 0 DCAERO C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000357599749 416104135 /nfs/dbraw/zinc/10/41/35/416104135.db2.gz YZGSRQHFHYFKLV-GFCCVEGCSA-N 1 0 319.409 0.687 10 0 DCAERO C[C@@H]1[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CCS1(=O)=O ZINC000313416326 416107185 /nfs/dbraw/zinc/10/71/85/416107185.db2.gz WIIIJUXLUSBTJS-NQBHXWOUSA-N 1 0 303.380 0.322 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C3=COCCO3)C2)CC1 ZINC000175983132 416118255 /nfs/dbraw/zinc/11/82/55/416118255.db2.gz CIWGOALIWIXYQY-CQSZACIVSA-N 1 0 309.410 0.503 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2CCOC2=O)C1 ZINC000176583031 416130373 /nfs/dbraw/zinc/13/03/73/416130373.db2.gz WTLBXJGXFJDVEZ-OLZOCXBDSA-N 1 0 312.414 0.857 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000177511754 416145878 /nfs/dbraw/zinc/14/58/78/416145878.db2.gz YSOVYEYIFDVBMR-ZDUSSCGKSA-N 1 0 301.431 0.900 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)NC[C@]1(CCO)CCOC1 ZINC000177584478 416147364 /nfs/dbraw/zinc/14/73/64/416147364.db2.gz HFHCRSCQJJTGSC-INIZCTEOSA-N 1 0 313.442 0.951 10 0 DCAERO C[C@]1(O)CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000178003035 416154545 /nfs/dbraw/zinc/15/45/45/416154545.db2.gz YNTACVYJYFWPGZ-KRWDZBQOSA-N 1 0 303.406 0.622 10 0 DCAERO Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)n2ncnc2n1 ZINC000301266731 416080633 /nfs/dbraw/zinc/08/06/33/416080633.db2.gz FRZJWCMVEXWJQE-LBPRGKRZSA-N 1 0 300.370 0.881 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000178626621 416167731 /nfs/dbraw/zinc/16/77/31/416167731.db2.gz HTZXWCPTVBDOPC-OAHLLOKOSA-N 1 0 304.438 0.658 10 0 DCAERO COc1ccnc(N2CCC(C(=O)NCC[C@@H](C)[NH3+])CC2)n1 ZINC000178638405 416168208 /nfs/dbraw/zinc/16/82/08/416168208.db2.gz IWYGRPPPKWWNEQ-LLVKDONJSA-N 1 0 307.398 0.555 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)c(C)n[nH]c3=O)[C@H]2C1 ZINC000329534998 416174955 /nfs/dbraw/zinc/17/49/55/416174955.db2.gz LDCUNPJBAQEQKS-QWHCGFSZSA-N 1 0 320.393 0.734 10 0 DCAERO C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000179139487 416182862 /nfs/dbraw/zinc/18/28/62/416182862.db2.gz KABRLVLUBJHLEA-GFCCVEGCSA-N 1 0 303.428 0.011 10 0 DCAERO CN1CCN(c2ncc(CN3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000179548882 416190462 /nfs/dbraw/zinc/19/04/62/416190462.db2.gz DVLOGPNRACHUFH-MRXNPFEDSA-N 1 0 316.453 0.508 10 0 DCAERO Cc1cnn(C[C@H]2CN([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478691 416198098 /nfs/dbraw/zinc/19/80/98/416198098.db2.gz APHLYPZJHIQQIM-JKSUJKDBSA-N 1 0 308.426 0.613 10 0 DCAERO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000180687575 416198761 /nfs/dbraw/zinc/19/87/61/416198761.db2.gz GYEHBWYSKKNZJC-CABCVRRESA-N 1 0 311.426 0.517 10 0 DCAERO C[C@@H](CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181393962 416205971 /nfs/dbraw/zinc/20/59/71/416205971.db2.gz VJCBRSFNQHUDPU-XJKSGUPXSA-N 1 0 319.453 0.919 10 0 DCAERO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000358187576 416206909 /nfs/dbraw/zinc/20/69/09/416206909.db2.gz KDJXNQDBTRTMEG-UHOFOFEASA-N 1 0 307.438 0.839 10 0 DCAERO Cn1ncc2c1ncc(C(=O)N1CC[N@@H+]3CCC[C@H]3C1)c2O ZINC000181956273 416214189 /nfs/dbraw/zinc/21/41/89/416214189.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 1 0 301.350 0.594 10 0 DCAERO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000182371500 416219292 /nfs/dbraw/zinc/21/92/92/416219292.db2.gz NXIPLNFQACTHMK-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO 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FKESLMLGUIDWRN-BZUAXINKSA-N 1 0 302.459 0.941 10 0 DCAERO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1S(N)(=O)=O ZINC000193495258 416318002 /nfs/dbraw/zinc/31/80/02/416318002.db2.gz RRVZRDLWSWXMPN-CMPLNLGQSA-N 1 0 311.407 0.513 10 0 DCAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000247329098 416332869 /nfs/dbraw/zinc/33/28/69/416332869.db2.gz INZFMJYASIGJBQ-GHMZBOCLSA-N 1 0 310.398 0.115 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC(N)=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000248846368 416333805 /nfs/dbraw/zinc/33/38/05/416333805.db2.gz HYMMMOOLVMQJFJ-SWHYSGLUSA-N 1 0 323.368 0.707 10 0 DCAERO C[C@H]1CN(CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276132 416334106 /nfs/dbraw/zinc/33/41/06/416334106.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 1 0 324.513 0.809 10 0 DCAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000261830443 416335823 /nfs/dbraw/zinc/33/58/23/416335823.db2.gz HXLXKYOGHJTAKO-KBPBESRZSA-N 1 0 323.437 0.614 10 0 DCAERO CCCN(C[C@H]1CCCCO1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000262263374 416336499 /nfs/dbraw/zinc/33/64/99/416336499.db2.gz XVGSVEYIGAHLBS-HIFRSBDPSA-N 1 0 313.442 0.894 10 0 DCAERO CC(C)NC(=O)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262418298 416336758 /nfs/dbraw/zinc/33/67/58/416336758.db2.gz DUAOWYSZUVFHJB-AXAPSJFSSA-N 1 0 311.426 0.502 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1=O ZINC000262321791 416336865 /nfs/dbraw/zinc/33/68/65/416336865.db2.gz FJBZJZFQJYGQCU-CYBMUJFWSA-N 1 0 314.345 0.103 10 0 DCAERO Cc1nc(NCC[NH+]2CCCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000359579694 416351336 /nfs/dbraw/zinc/35/13/36/416351336.db2.gz FCNYEDNKXUQXFT-UHFFFAOYSA-N 1 0 319.457 0.039 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000359586273 416352099 /nfs/dbraw/zinc/35/20/99/416352099.db2.gz NBROYFKELMQSEA-IMJJTQAJSA-N 1 0 309.454 0.896 10 0 DCAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000194772595 416324490 /nfs/dbraw/zinc/32/44/90/416324490.db2.gz ZWOAXGUDPCEOPT-CYBMUJFWSA-N 1 0 316.405 0.821 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195322736 416326091 /nfs/dbraw/zinc/32/60/91/416326091.db2.gz IFGSKVSDQSMHEC-LBPRGKRZSA-N 1 0 323.418 0.563 10 0 DCAERO Cc1nc(C[C@@H]2CCCN(CC(=O)NC(=O)NC3CC3)C2)no1 ZINC000195517842 416326631 /nfs/dbraw/zinc/32/66/31/416326631.db2.gz BHLCMFLJSBRNIS-NSHDSACASA-N 1 0 321.381 0.621 10 0 DCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)C1 ZINC000583618109 416477396 /nfs/dbraw/zinc/47/73/96/416477396.db2.gz ABAGSDJPAQFCNZ-KBPBESRZSA-N 1 0 322.409 0.313 10 0 DCAERO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000532745156 416453352 /nfs/dbraw/zinc/45/33/52/416453352.db2.gz YDHPSXLXQBBJNZ-IHRRRGAJSA-N 1 0 301.383 0.570 10 0 DCAERO CCn1nncc1C[N@@H+]1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000459327289 416534548 /nfs/dbraw/zinc/53/45/48/416534548.db2.gz NREGYAPCHHABGQ-OLZOCXBDSA-N 1 0 309.414 0.661 10 0 DCAERO CCNC(=O)N1CC[C@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000540157951 416588381 /nfs/dbraw/zinc/58/83/81/416588381.db2.gz MZZVFCKBVOXSCC-AWEZNQCLSA-N 1 0 318.425 0.839 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000441052701 416660365 /nfs/dbraw/zinc/66/03/65/416660365.db2.gz RIJRIBMTQSSTEO-MFKMUULPSA-N 1 0 321.425 0.774 10 0 DCAERO CCC(F)(F)C(C)(C)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631954105 416829523 /nfs/dbraw/zinc/82/95/23/416829523.db2.gz BHBMNGQEJZYJFV-JTQLQIEISA-N 1 0 314.398 0.966 10 0 DCAERO CNC(=O)c1cccc(CCC(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000615504473 416846557 /nfs/dbraw/zinc/84/65/57/416846557.db2.gz QWCGUUQVQBOQHP-UHFFFAOYSA-N 1 0 303.406 0.999 10 0 DCAERO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccncc1F ZINC000623616954 416853414 /nfs/dbraw/zinc/85/34/14/416853414.db2.gz OHNWMZMJZCINJJ-MRXNPFEDSA-N 1 0 309.385 0.926 10 0 DCAERO O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000518438314 416856842 /nfs/dbraw/zinc/85/68/42/416856842.db2.gz NZCJOCPBUHNYPD-KGLIPLIRSA-N 1 0 321.421 0.511 10 0 DCAERO c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N2CCOCC2)n1 ZINC000373672823 416959391 /nfs/dbraw/zinc/95/93/91/416959391.db2.gz JGXGZBRQHALUNE-UONOGXRCSA-N 1 0 319.409 0.588 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000519538525 416911359 /nfs/dbraw/zinc/91/13/59/416911359.db2.gz KCROPQSHTONFNM-GHMZBOCLSA-N 1 0 320.393 0.850 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000521596661 417018135 /nfs/dbraw/zinc/01/81/35/417018135.db2.gz SYXRDYTUJOXXNH-UUQIVFDPSA-N 1 0 323.437 0.802 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000624386564 417025305 /nfs/dbraw/zinc/02/53/05/417025305.db2.gz ONLAMZMANKNSTR-UHFFFAOYSA-N 1 0 306.334 0.751 10 0 DCAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251662879 298994416 /nfs/dbraw/zinc/99/44/16/298994416.db2.gz KWVQXVJZBSEDPD-FVCCEPFGSA-N 1 0 305.444 0.542 10 0 DCAERO CCNC(=O)C(C)(C)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000448469912 417077723 /nfs/dbraw/zinc/07/77/23/417077723.db2.gz BQLIDOCGADEKBN-UHFFFAOYSA-N 1 0 307.398 0.377 10 0 DCAERO NC(=O)C1CCN(C(=O)c2cc([C@H]3CCC[NH2+]C3)no2)CC1 ZINC000616576527 417081845 /nfs/dbraw/zinc/08/18/45/417081845.db2.gz VOFAJEVUHRSQPI-NSHDSACASA-N 1 0 306.366 0.479 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c(F)c1 ZINC000381441149 417086823 /nfs/dbraw/zinc/08/68/23/417086823.db2.gz FHJDLBHZSGKTMV-HTQZYQBOSA-N 1 0 303.359 0.798 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383368275 417089364 /nfs/dbraw/zinc/08/93/64/417089364.db2.gz HRUDIUGQAHQLQY-AOOOYVTPSA-N 1 0 318.830 0.694 10 0 DCAERO CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404164527 417117534 /nfs/dbraw/zinc/11/75/34/417117534.db2.gz NLCUAUKWICSLKM-HUUCEWRRSA-N 1 0 310.419 0.921 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1C[NH3+] ZINC000405842221 417123214 /nfs/dbraw/zinc/12/32/14/417123214.db2.gz GDHSVLYJDVEHTC-ZYHUDNBSSA-N 1 0 302.371 0.810 10 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MNLBTFMVMWLPCM-QWHCGFSZSA-N 1 0 301.383 0.284 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633038111 417330568 /nfs/dbraw/zinc/33/05/68/417330568.db2.gz NYFSRFXRJZRTRQ-CMPLNLGQSA-N 1 0 318.377 0.556 10 0 DCAERO CN1C(=O)CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1=O ZINC000570325857 417337689 /nfs/dbraw/zinc/33/76/89/417337689.db2.gz SZCWWPQULKYVEX-BPCQOVAHSA-N 1 0 322.409 0.450 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000633196322 417390003 /nfs/dbraw/zinc/39/00/03/417390003.db2.gz PMYBBKRYFRLEHS-KKUMJFAQSA-N 1 0 309.410 0.319 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000622987189 417521808 /nfs/dbraw/zinc/52/18/08/417521808.db2.gz VOLWUFLDEJOFQH-GJZGRUSLSA-N 1 0 311.426 0.567 10 0 DCAERO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000577020325 417656257 /nfs/dbraw/zinc/65/62/57/417656257.db2.gz HHKLCLPBIWARNE-UHFFFAOYSA-N 1 0 303.366 0.777 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000532116943 417659101 /nfs/dbraw/zinc/65/91/01/417659101.db2.gz LDGKLGABWAIBDF-NEPJUHHUSA-N 1 0 309.414 0.326 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccncc1Br ZINC000647038178 417975539 /nfs/dbraw/zinc/97/55/39/417975539.db2.gz ZKDLKFKHDWESPT-XVKPBYJWSA-N 1 0 300.156 0.154 10 0 DCAERO Cn1cc(Br)c(C(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC000662830361 417918500 /nfs/dbraw/zinc/91/85/00/417918500.db2.gz DFQRNVJYLYEJAG-RXMQYKEDSA-N 1 0 315.093 0.802 10 0 DCAERO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659346263 418085419 /nfs/dbraw/zinc/08/54/19/418085419.db2.gz WAWANHRTHYJOQK-BWZBUEFSSA-N 1 0 302.243 0.925 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654789332 418188822 /nfs/dbraw/zinc/18/88/22/418188822.db2.gz MDVNETZRIZBSNJ-WCQYABFASA-N 1 0 313.365 0.366 10 0 DCAERO NC(=O)c1cncc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000301676519 229817994 /nfs/dbraw/zinc/81/79/94/229817994.db2.gz COHWDHJKGIACTR-KBPBESRZSA-N 1 0 319.409 0.755 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cncc(O)c2)CC1 ZINC000179484885 261112804 /nfs/dbraw/zinc/11/28/04/261112804.db2.gz REFBVZBSPVFMHA-XGACYXMMSA-N 1 0 305.378 0.716 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCC(F)(F)CO)ccn2)CC1 ZINC000183849184 261117555 /nfs/dbraw/zinc/11/75/55/261117555.db2.gz AGNOUJWWSGYYNC-UHFFFAOYSA-N 1 0 314.336 0.191 10 0 DCAERO C[C@H](CNC(=O)N(C)CC1(CO)CC1)C[NH+]1CCN(C)CC1 ZINC000187213554 261123261 /nfs/dbraw/zinc/12/32/61/261123261.db2.gz PVGPKYUGSODPOU-CQSZACIVSA-N 1 0 312.458 0.284 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCc1nccn1CC(C)C ZINC000187323868 261123922 /nfs/dbraw/zinc/12/39/22/261123922.db2.gz XOYKPVKWHJPMAM-UHFFFAOYSA-N 1 0 311.430 0.653 10 0 DCAERO COCCCS(=O)(=O)NCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188019001 261126088 /nfs/dbraw/zinc/12/60/88/261126088.db2.gz RXYZOMNNKPDNQL-KBPBESRZSA-N 1 0 322.471 0.425 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CCCCOC)CC1 ZINC000190907306 261135660 /nfs/dbraw/zinc/13/56/60/261135660.db2.gz PZBFCZCCZBYFEY-CQSZACIVSA-N 1 0 321.487 0.358 10 0 DCAERO COC[C@@H](O)C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977918 261138377 /nfs/dbraw/zinc/13/83/77/261138377.db2.gz BGMRECMFUFONKY-AWEZNQCLSA-N 1 0 316.442 0.732 10 0 DCAERO C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)N1CCOCC1 ZINC000193202929 261140550 /nfs/dbraw/zinc/14/05/50/261140550.db2.gz NFZVSMASVJPCGV-OAHLLOKOSA-N 1 0 312.458 0.882 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262756011 261167307 /nfs/dbraw/zinc/16/73/07/261167307.db2.gz HYFMZEJMNHEJSE-GHMZBOCLSA-N 1 0 314.407 0.980 10 0 DCAERO CCN(CCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000395244699 262162550 /nfs/dbraw/zinc/16/25/50/262162550.db2.gz UEYNMEQTRMCFDR-NEPJUHHUSA-N 1 0 305.444 0.162 10 0 DCAERO COc1ncncc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358387608 271051278 /nfs/dbraw/zinc/05/12/78/271051278.db2.gz QIXSNDDPINZRDE-UHFFFAOYSA-N 1 0 319.365 0.192 10 0 DCAERO CC[NH+]1CCC(CCNS(=O)(=O)C[C@H](C)C(=O)OC)CC1 ZINC000532060326 272775832 /nfs/dbraw/zinc/77/58/32/272775832.db2.gz ROUYMEHYTBTTIA-LBPRGKRZSA-N 1 0 320.455 0.837 10 0 DCAERO Cn1cnc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000092150051 273800147 /nfs/dbraw/zinc/80/01/47/273800147.db2.gz XUDUBERDXRGCPA-ZDUSSCGKSA-N 1 0 302.382 0.917 10 0 DCAERO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@H]1[NH3+] ZINC000261953165 276125166 /nfs/dbraw/zinc/12/51/66/276125166.db2.gz KHHGUZICIQDQKJ-ZYHUDNBSSA-N 1 0 305.382 0.348 10 0 DCAERO CC1(C)C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1O ZINC000313003748 276133144 /nfs/dbraw/zinc/13/31/44/276133144.db2.gz VCGXUSRYYWSQSX-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000408045073 276978537 /nfs/dbraw/zinc/97/85/37/276978537.db2.gz PSDPXOOABVPITL-KRWDZBQOSA-N 1 0 323.437 0.447 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC000152816940 277044171 /nfs/dbraw/zinc/04/41/71/277044171.db2.gz ZGLPNHVNYMZHPP-BZUAXINKSA-N 1 0 323.437 0.614 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000121805860 277070247 /nfs/dbraw/zinc/07/02/47/277070247.db2.gz DOEDXDICPMSGGJ-CQSZACIVSA-N 1 0 318.381 0.944 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@@H]3CCCOC3)C2)CC1 ZINC000180443397 277110275 /nfs/dbraw/zinc/11/02/75/277110275.db2.gz ABMQESNXYCBZHN-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO CC(C)(C)N1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000333813724 277162106 /nfs/dbraw/zinc/16/21/06/277162106.db2.gz JUJCJNHEWYKNDS-GFCCVEGCSA-N 1 0 308.426 0.923 10 0 DCAERO COCCN1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000117492353 277223549 /nfs/dbraw/zinc/22/35/49/277223549.db2.gz YQAXWEHCESPQQV-KGLIPLIRSA-N 1 0 312.458 0.831 10 0 DCAERO CC(C)N(C)C(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000408420680 277533306 /nfs/dbraw/zinc/53/33/06/277533306.db2.gz YYIPYXKGSACSFL-HNNXBMFYSA-N 1 0 310.398 0.163 10 0 DCAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000545383436 287998129 /nfs/dbraw/zinc/99/81/29/287998129.db2.gz MBQBILFJXWKDIY-NVXWUHKLSA-N 1 0 305.422 0.990 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000176635181 278110114 /nfs/dbraw/zinc/11/01/14/278110114.db2.gz YLDQPGDZTAAPGN-CABCVRRESA-N 1 0 315.483 0.828 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC([NH+](C)C)CC2)C1 ZINC000156126997 278142225 /nfs/dbraw/zinc/14/22/25/278142225.db2.gz UPVXSGQZDMHAHL-CQSZACIVSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000262007554 278215742 /nfs/dbraw/zinc/21/57/42/278215742.db2.gz BQUFZPDQPTXRMD-GFCCVEGCSA-N 1 0 317.389 0.953 10 0 DCAERO CC1(C)CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC[C@H]1[NH3+] ZINC000262004824 278298538 /nfs/dbraw/zinc/29/85/38/278298538.db2.gz NTJYCGNXSWCMIS-FRRDWIJNSA-N 1 0 321.421 0.747 10 0 DCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000061524654 278331404 /nfs/dbraw/zinc/33/14/04/278331404.db2.gz WJPSNAVYFBVMNC-CYBMUJFWSA-N 1 0 322.409 0.152 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCc2cnc(N(C)C)n2C)CC1 ZINC000547273388 288035450 /nfs/dbraw/zinc/03/54/50/288035450.db2.gz VMVRGHBLOJXOSQ-UHFFFAOYSA-N 1 0 320.441 0.937 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCC(=O)Nc2cccnc2)CC1 ZINC000547272961 288035516 /nfs/dbraw/zinc/03/55/16/288035516.db2.gz RMCINLWZWLJGRC-UHFFFAOYSA-N 1 0 317.393 0.971 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc2ncnn21 ZINC000547436532 288045847 /nfs/dbraw/zinc/04/58/47/288045847.db2.gz FHDHQUJDWXSXLV-CYBMUJFWSA-N 1 0 316.409 0.485 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000547732664 288073614 /nfs/dbraw/zinc/07/36/14/288073614.db2.gz RHUZZEPEGBYSBV-GUYCJALGSA-N 1 0 319.405 0.200 10 0 DCAERO CCOC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000548025877 288103094 /nfs/dbraw/zinc/10/30/94/288103094.db2.gz BFLKGURBKTVVIG-RWMBFGLXSA-N 1 0 316.377 0.624 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000077730205 279122245 /nfs/dbraw/zinc/12/22/45/279122245.db2.gz 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ZINC000554180464 288314424 /nfs/dbraw/zinc/31/44/24/288314424.db2.gz VPTQNKZYZDUCBG-KGLIPLIRSA-N 1 0 312.410 0.903 10 0 DCAERO CN(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000555656235 288359412 /nfs/dbraw/zinc/35/94/12/288359412.db2.gz QLQBNRUZDBJIPS-ZDUSSCGKSA-N 1 0 324.425 0.409 10 0 DCAERO C[NH+](C)[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000377280093 289296003 /nfs/dbraw/zinc/29/60/03/289296003.db2.gz YEXXXXOAXCCJHT-ZIAGYGMSSA-N 1 0 310.442 0.126 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000093990503 289318324 /nfs/dbraw/zinc/31/83/24/289318324.db2.gz QBCGEORNAIQDAR-CHWSQXEVSA-N 1 0 317.455 0.257 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCC[C@](O)(C(F)(F)F)C1)C1CCOCC1 ZINC000261858835 295291662 /nfs/dbraw/zinc/29/16/62/295291662.db2.gz SCDLGMOHAIGMOR-ZYHUDNBSSA-N 1 0 310.316 0.656 10 0 DCAERO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000173024522 297158086 /nfs/dbraw/zinc/15/80/86/297158086.db2.gz VZMWGYRTMIZTPQ-NEPJUHHUSA-N 1 0 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/nfs/dbraw/zinc/98/43/33/545984333.db2.gz UXUFPOLTIODBDP-IUODEOHRSA-N 1 0 306.362 0.355 10 0 DCAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333506138 546083207 /nfs/dbraw/zinc/08/32/07/546083207.db2.gz DWFFFRNYFSKAHD-BPNCWPANSA-N 1 0 323.441 0.982 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333563468 546085094 /nfs/dbraw/zinc/08/50/94/546085094.db2.gz LHRSUFMWSOAQKN-ASEORRQLSA-N 1 0 307.398 0.690 10 0 DCAERO CCC[C@H](C)C(=O)N1C[C@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072473 547658665 /nfs/dbraw/zinc/65/86/65/547658665.db2.gz CUVOKBXYSYJCPE-SGMGOOAPSA-N 1 0 302.440 0.787 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCn1cncn1)C2 ZINC000888094796 661162561 /nfs/dbraw/zinc/16/25/61/661162561.db2.gz JPYBYAHXYQNLRT-XOUADPBQSA-N 1 0 321.425 0.264 10 0 DCAERO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)[C@H]1C(C)C ZINC000888095396 661165860 /nfs/dbraw/zinc/16/58/60/661165860.db2.gz YEMYLLQFZURPHL-MUIFIZLQSA-N 1 0 320.437 0.938 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC000888095264 661165863 /nfs/dbraw/zinc/16/58/63/661165863.db2.gz SZPKIOLJGPRDAB-UTJXIGIESA-N 1 0 320.437 0.938 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353369647 665449016 /nfs/dbraw/zinc/44/90/16/665449016.db2.gz CLTISDHUBRQOKH-ZIAGYGMSSA-N 1 0 311.451 0.756 10 0 DCAERO CN1CCO[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724041753 657909724 /nfs/dbraw/zinc/90/97/24/657909724.db2.gz OXIUULVIDWKYBQ-DTWKUNHWSA-N 1 0 306.275 0.855 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](CCO)C2CCCC2)C1 ZINC000725084712 658129054 /nfs/dbraw/zinc/12/90/54/658129054.db2.gz CROIBLCMGMXUEW-GXTWGEPZSA-N 1 0 304.456 0.799 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000725117823 658149554 /nfs/dbraw/zinc/14/95/54/658149554.db2.gz ZBUIESMJHHIODJ-LLVKDONJSA-N 1 0 303.453 0.628 10 0 DCAERO CN[C@H](C(=O)NC[C@@H](O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000262044463 658212395 /nfs/dbraw/zinc/21/23/95/658212395.db2.gz GRHAWLXYKOQKJI-KGLIPLIRSA-N 1 0 306.341 0.670 10 0 DCAERO CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089388673 658361448 /nfs/dbraw/zinc/36/14/48/658361448.db2.gz PQMKILNDCDXYLW-DGCLKSJQSA-N 1 0 317.455 0.292 10 0 DCAERO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000723379127 658658533 /nfs/dbraw/zinc/65/85/33/658658533.db2.gz PNADVCUEGODUBF-JHJVBQTASA-N 1 0 302.440 0.800 10 0 DCAERO CC1(C)CC2(CC(=O)O[C@H]2CS(N)(=O)=O)CC(C)(C)[NH2+]1 ZINC000757216016 658666108 /nfs/dbraw/zinc/66/61/08/658666108.db2.gz FUYHSUKURADRSA-VIFPVBQESA-N 1 0 304.412 0.517 10 0 DCAERO C[C@@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000195297105 659542239 /nfs/dbraw/zinc/54/22/39/659542239.db2.gz AQAPXZIUCWVCBA-MRVPVSSYSA-N 1 0 319.814 0.667 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000261549140 661300067 /nfs/dbraw/zinc/30/00/67/661300067.db2.gz OFWBHDOKILOTQP-UHFFFAOYSA-N 1 0 303.406 0.839 10 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RXVRRSLYKNQBQG-GFCCVEGCSA-N 1 0 316.379 0.022 10 0 DCAERO CO[C@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC000721254204 662906447 /nfs/dbraw/zinc/90/64/47/662906447.db2.gz HMDUBTFLOYDSBV-OCCSQVGLSA-N 1 0 304.456 0.510 10 0 DCAERO O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000040861306 663050848 /nfs/dbraw/zinc/05/08/48/663050848.db2.gz SXPSTMNDQZQLJJ-ZJUUUORDSA-N 1 0 315.361 0.847 10 0 DCAERO [NH3+]C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000041162100 663069222 /nfs/dbraw/zinc/06/92/22/663069222.db2.gz SJMUJHZRYLRNLM-SNVBAGLBSA-N 1 0 306.334 0.847 10 0 DCAERO Cc1noc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCN2C)n1 ZINC000908095323 663733006 /nfs/dbraw/zinc/73/30/06/663733006.db2.gz JQVDPQIDTJHBEB-LBPRGKRZSA-N 1 0 305.382 0.289 10 0 DCAERO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000912415002 664169186 /nfs/dbraw/zinc/16/91/86/664169186.db2.gz AWVRWXAKGBBCHQ-HOTGVXAUSA-N 1 0 304.390 0.728 10 0 DCAERO CO[C@@H]1C[C@@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)C12CCC2 ZINC000721241224 664356020 /nfs/dbraw/zinc/35/60/20/664356020.db2.gz FCKGQKGKMBULII-JHJVBQTASA-N 1 0 303.424 0.737 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230849581 664624860 /nfs/dbraw/zinc/62/48/60/664624860.db2.gz QFTPCLYQMIPIDS-VIFPVBQESA-N 1 0 306.819 0.836 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)N(CC[NH3+])CCc2ccccc2)c1=O ZINC000261671891 664712741 /nfs/dbraw/zinc/71/27/41/664712741.db2.gz GMHNGMJENKUZEV-UHFFFAOYSA-N 1 0 316.361 0.130 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000359355146 666274981 /nfs/dbraw/zinc/27/49/81/666274981.db2.gz YZYRULWYYRFCMV-UONOGXRCSA-N 1 0 311.451 0.995 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422628245 666280425 /nfs/dbraw/zinc/28/04/25/666280425.db2.gz TVDBZDPJCQXBLY-OCCSQVGLSA-N 1 0 305.403 0.824 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000074057273 666660636 /nfs/dbraw/zinc/66/06/36/666660636.db2.gz URQFVEZQFHJFGU-ZIAGYGMSSA-N 1 0 312.410 0.755 10 0 DCAERO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700599796 666742078 /nfs/dbraw/zinc/74/20/78/666742078.db2.gz QIFZWQKKLMSYRT-NWANDNLSSA-N 1 0 313.419 0.729 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000702355620 666940606 /nfs/dbraw/zinc/94/06/06/666940606.db2.gz HZDSMPKYFMKFAT-RYUDHWBXSA-N 1 0 319.327 0.485 10 0 DCAERO CC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000119170438 667093648 /nfs/dbraw/zinc/09/36/48/667093648.db2.gz HEGMOUGBWSIYFS-GJZGRUSLSA-N 1 0 323.437 0.773 10 0 DCAERO CO[C@@H](C)CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119718417 667193187 /nfs/dbraw/zinc/19/31/87/667193187.db2.gz KLMLDJULIPNMQT-BBRMVZONSA-N 1 0 306.406 0.947 10 0 DCAERO COCc1nn(CN2CCC(C[NH+]3CCCC3)CC2)c(=O)o1 ZINC000119725226 667197201 /nfs/dbraw/zinc/19/72/01/667197201.db2.gz RVNLYQABALVNRC-UHFFFAOYSA-N 1 0 310.398 0.748 10 0 DCAERO CC[S@](=O)CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000736659216 667214035 /nfs/dbraw/zinc/21/40/35/667214035.db2.gz MQTIKNUQXLGUKN-FQEVSTJZSA-N 1 0 305.444 0.165 10 0 DCAERO CN(CC[N@H+](C)CCO)C(=O)c1ncsc1Br ZINC000704965459 667274459 /nfs/dbraw/zinc/27/44/59/667274459.db2.gz WHKDNYZMTBWUJP-UHFFFAOYSA-N 1 0 322.228 0.902 10 0 DCAERO CO[C@@]1(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCOC1 ZINC000705575028 667350657 /nfs/dbraw/zinc/35/06/57/667350657.db2.gz CBIVDDUUFRMGJU-BXUZGUMPSA-N 1 0 302.371 0.932 10 0 DCAERO C[C@@]1(C(F)(F)F)CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000709552246 667445275 /nfs/dbraw/zinc/44/52/75/667445275.db2.gz ZBCIQKAOGYNHMQ-VHSXEESVSA-N 1 0 316.345 0.579 10 0 DCAERO COC[C@@]1(C(=O)NCCSC(F)(F)F)C[NH2+]CCO1 ZINC000710748635 667446116 /nfs/dbraw/zinc/44/61/16/667446116.db2.gz RXVVJCAUVVZFLE-SECBINFHSA-N 1 0 302.318 0.361 10 0 DCAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC000711388298 667461677 /nfs/dbraw/zinc/46/16/77/667461677.db2.gz BMPPVNHTXYRPDB-PHIMTYICSA-N 1 0 321.443 0.429 10 0 DCAERO COc1cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc(Br)c1O ZINC000717314156 667559179 /nfs/dbraw/zinc/55/91/79/667559179.db2.gz BPGNYWCNADOPRP-XCBNKYQSSA-N 1 0 320.183 0.995 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)CCO1 ZINC000886074636 667729060 /nfs/dbraw/zinc/72/90/60/667729060.db2.gz JNQVDWXIYKZKCS-CYBMUJFWSA-N 1 0 322.409 0.706 10 0 DCAERO Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886088920 667731125 /nfs/dbraw/zinc/73/11/25/667731125.db2.gz QDDDIHQXSDHHQK-INIZCTEOSA-N 1 0 317.393 0.794 10 0 DCAERO COCCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717062554 668140254 /nfs/dbraw/zinc/14/02/54/668140254.db2.gz AVMFHMFMQDACOF-BDAKNGLRSA-N 1 0 304.334 0.564 10 0 DCAERO [NH3+][C@H]1CN(S(=O)(=O)c2cccnc2)CC[C@@H]1C(F)(F)F ZINC000717079967 668408554 /nfs/dbraw/zinc/40/85/54/668408554.db2.gz JATZVIQGPUQBPW-UWVGGRQHSA-N 1 0 309.313 0.982 10 0 DCAERO COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717128586 669292207 /nfs/dbraw/zinc/29/22/07/669292207.db2.gz NZIRLMJLDJTSDZ-YIZRAAEISA-N 1 0 304.334 0.563 10 0 DCAERO COc1ccc([C@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000040860983 669822625 /nfs/dbraw/zinc/82/26/25/669822625.db2.gz BVVPTEARTBFGDX-JTQLQIEISA-N 1 0 317.386 0.635 10 0 DCAERO O=C(CN1CCC2(CC1)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000045750158 669921765 /nfs/dbraw/zinc/92/17/65/669921765.db2.gz NZPZOXHKQKEOPM-UHFFFAOYSA-N 1 0 323.437 0.568 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)CCO1 ZINC000188385703 670007235 /nfs/dbraw/zinc/00/72/35/670007235.db2.gz CBJCWTMTHHUBKM-GFCCVEGCSA-N 1 0 306.410 0.620 10 0 DCAERO Cn1cc(C[NH2+]CC[C@@]2(O)CCOC2)c(Br)n1 ZINC000712405804 670148967 /nfs/dbraw/zinc/14/89/67/670148967.db2.gz UNFCKYVYHCCWMS-LLVKDONJSA-N 1 0 304.188 0.814 10 0 DCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000713082031 670152516 /nfs/dbraw/zinc/15/25/16/670152516.db2.gz JGHUPAZPYYBPAF-GHMZBOCLSA-N 1 0 305.444 0.146 10 0 DCAERO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCCO1 ZINC000714332708 670183786 /nfs/dbraw/zinc/18/37/86/670183786.db2.gz YMOUTILOSFFTEV-VIFPVBQESA-N 1 0 304.334 0.708 10 0 DCAERO CC(C)(C[NH3+])C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000714448629 670188911 /nfs/dbraw/zinc/18/89/11/670188911.db2.gz CMPRBYDHFLQVQO-UHFFFAOYSA-N 1 0 305.444 0.260 10 0 DCAERO COCC[NH2+]CC(=O)NCc1ncc(Br)s1 ZINC000714950496 670202067 /nfs/dbraw/zinc/20/20/67/670202067.db2.gz JDFFKLAFZPGASA-UHFFFAOYSA-N 1 0 308.201 0.758 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000715107262 670203543 /nfs/dbraw/zinc/20/35/43/670203543.db2.gz IRKYTYBEZMJFTE-HTAVTVPLSA-N 1 0 303.428 0.044 10 0 DCAERO COc1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)ccc1F ZINC000193237738 670256233 /nfs/dbraw/zinc/25/62/33/670256233.db2.gz SLHXNLKWUNORLO-UHFFFAOYSA-N 1 0 317.386 0.018 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193461746 670286896 /nfs/dbraw/zinc/28/68/96/670286896.db2.gz VWCCTBPTPDYIRK-IONNQARKSA-N 1 0 306.819 0.801 10 0 DCAERO Cc1c(C(=O)NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)cnn1C ZINC000818242281 670994720 /nfs/dbraw/zinc/99/47/20/670994720.db2.gz GJKICLWWSAYAHY-AWEZNQCLSA-N 1 0 315.377 0.794 10 0 DCAERO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000718092184 685304457 /nfs/dbraw/zinc/30/44/57/685304457.db2.gz SBIAVFMCHXZAKN-HTAVTVPLSA-N 1 0 303.428 0.044 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000720810859 685315534 /nfs/dbraw/zinc/31/55/34/685315534.db2.gz MDQWFDDFCXLSOZ-JGVFFNPUSA-N 1 0 312.317 0.178 10 0 DCAERO O=S(=O)(CCC1CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720171066 685312261 /nfs/dbraw/zinc/31/22/61/685312261.db2.gz ZUBGUSRYTCIYOD-ZDUSSCGKSA-N 1 0 302.440 0.865 10 0 DCAERO O=S(=O)(CC1CCC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720202010 685312337 /nfs/dbraw/zinc/31/23/37/685312337.db2.gz JSFGFRUTOXIUNA-ZDUSSCGKSA-N 1 0 302.440 0.865 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720801886 685314383 /nfs/dbraw/zinc/31/43/83/685314383.db2.gz BJNDYGMFBOMZRX-IUCAKERBSA-N 1 0 303.350 0.640 10 0 DCAERO C[NH2+]CCN(c1cnn(C)c(=O)c1Br)C(C)C ZINC000720796977 685314706 /nfs/dbraw/zinc/31/47/06/685314706.db2.gz CMAFIEISGPLUPC-UHFFFAOYSA-N 1 0 303.204 0.977 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC(=O)NCc2ccco2)C1 ZINC000093543045 685110353 /nfs/dbraw/zinc/11/03/53/685110353.db2.gz SFJSHAHXTIHPAJ-VXGBXAGGSA-N 1 0 308.382 0.678 10 0 DCAERO CCOC(=O)c1cnn(CN2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC000245759980 685158780 /nfs/dbraw/zinc/15/87/80/685158780.db2.gz ZRKWPUTWVRRYSO-ZDUSSCGKSA-N 1 0 310.398 0.670 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS1(=O)=O ZINC000246071459 685160506 /nfs/dbraw/zinc/16/05/06/685160506.db2.gz SSZKMGGLHBSRKW-IJLUTSLNSA-N 1 0 309.453 0.509 10 0 DCAERO Cc1cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cs1 ZINC000381209612 685238914 /nfs/dbraw/zinc/23/89/14/685238914.db2.gz OCBMEUHTPDLVLJ-UHFFFAOYSA-N 1 0 304.437 0.808 10 0 DCAERO COC(=O)CC[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000252892246 1157747735 /nfs/dbraw/zinc/74/77/35/1157747735.db2.gz MZGLWJDGCWQUED-ZIAGYGMSSA-N 1 0 303.399 0.816 10 0 DCAERO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200435 1173930747 /nfs/dbraw/zinc/93/07/47/1173930747.db2.gz REAJFYOJISTXTN-WCQYABFASA-N 1 0 317.455 0.305 10 0 DCAERO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000136515405 1177533287 /nfs/dbraw/zinc/53/32/87/1177533287.db2.gz YMQVGPHJKQDGRR-CQSZACIVSA-N 1 0 311.426 0.472 10 0 DCAERO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)NCCCN1CCCC1=O ZINC000172039691 1183799478 /nfs/dbraw/zinc/79/94/78/1183799478.db2.gz NJHNKAUHEOLABI-VMZNBEPHSA-N 1 0 323.437 0.208 10 0 DCAERO C[C@H]1C[C@@H](N(C)Cc2nc(CS(C)(=O)=O)no2)CC[N@@H+]1C ZINC000173527975 1183912097 /nfs/dbraw/zinc/91/20/97/1183912097.db2.gz HSXNERROBNWQLZ-QWRGUYRKSA-N 1 0 316.427 0.529 10 0 DCAERO Cn1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1=O ZINC000174171900 1183964818 /nfs/dbraw/zinc/96/48/18/1183964818.db2.gz USWHLPFSDJKUKS-CYBMUJFWSA-N 1 0 305.378 0.180 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000187271443 1187472853 /nfs/dbraw/zinc/47/28/53/1187472853.db2.gz VOIPTTPBNUEVHD-LBPRGKRZSA-N 1 0 313.402 0.689 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403684238 747343288 /nfs/dbraw/zinc/34/32/88/747343288.db2.gz BHTVDPWRMLXCDK-RDFFEMEHSA-N 1 0 306.453 0.321 10 0 DCAERO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCNC2=O)c2cccs2)CCO1 ZINC000246187114 771530258 /nfs/dbraw/zinc/53/02/58/771530258.db2.gz CUKHHZCTYQZIAX-FRRDWIJNSA-N 1 0 309.435 0.988 10 0 DCAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000173600281 771774456 /nfs/dbraw/zinc/77/44/56/771774456.db2.gz PQSGUHWWKBPIDA-RYUDHWBXSA-N 1 0 310.398 0.165 10 0 DCAERO COC(=O)c1sc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1Cl ZINC000405708590 774178123 /nfs/dbraw/zinc/17/81/23/774178123.db2.gz REGVQKKPHRCXAK-JGVFFNPUSA-N 1 0 317.798 0.838 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000250717592 776174331 /nfs/dbraw/zinc/17/43/31/776174331.db2.gz HJKPGPKYIZQTOD-KGLIPLIRSA-N 1 0 303.472 0.732 10 0 DCAERO COC(=O)c1cc(CC[NH3+])cc(I)n1 ZINC000095767995 185384017 /nfs/dbraw/zinc/38/40/17/185384017.db2.gz YVECZZFYCRKUTI-UHFFFAOYSA-N 1 0 306.103 0.974 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000116791503 282125128 /nfs/dbraw/zinc/12/51/28/282125128.db2.gz PXPZDSRAPMDLKC-HUUCEWRRSA-N 1 0 323.437 0.424 10 0 DCAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181515604 199309393 /nfs/dbraw/zinc/30/93/93/199309393.db2.gz LWBYWDNUOZXQBG-NSHDSACASA-N 1 0 316.365 0.764 10 0 DCAERO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(-n2cncn2)cc1 ZINC000181522269 199311172 /nfs/dbraw/zinc/31/11/72/199311172.db2.gz FQNNQFKWABLTJO-NSHDSACASA-N 1 0 314.349 0.470 10 0 DCAERO C[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000154397381 529775314 /nfs/dbraw/zinc/77/53/14/529775314.db2.gz CXULMVLHMWUBCO-AWEZNQCLSA-N 1 0 312.439 0.164 10 0 DCAERO CN(C)c1nc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)ns1 ZINC000163767315 529802626 /nfs/dbraw/zinc/80/26/26/529802626.db2.gz UMVPANVVGWLBHT-LBPRGKRZSA-N 1 0 311.455 0.758 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000181628054 199329371 /nfs/dbraw/zinc/32/93/71/199329371.db2.gz JQBSHLXJJYDIIN-ZDUSSCGKSA-N 1 0 305.382 0.984 10 0 DCAERO CNC(=O)[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C(C)C ZINC000178450095 529919615 /nfs/dbraw/zinc/91/96/15/529919615.db2.gz BFLUAZKPINJHAR-QWHCGFSZSA-N 1 0 314.430 0.167 10 0 DCAERO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([NH+](C)C)CC1 ZINC000408113957 295730300 /nfs/dbraw/zinc/73/03/00/295730300.db2.gz ZLUCBIZMQSYVHD-STQMWFEESA-N 1 0 310.442 0.125 10 0 DCAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000170868247 295745356 /nfs/dbraw/zinc/74/53/56/295745356.db2.gz JUDMXMVRFDDQSU-NWDGAFQWSA-N 1 0 322.409 0.402 10 0 DCAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000236655527 201949333 /nfs/dbraw/zinc/94/93/33/201949333.db2.gz IIXQKKHVEUBGQR-CYBMUJFWSA-N 1 0 313.423 0.779 10 0 DCAERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)NCCF ZINC000367152348 299145862 /nfs/dbraw/zinc/14/58/62/299145862.db2.gz GLDYDGPYNBKLSM-WODVXLOZSA-N 1 0 314.405 0.775 10 0 DCAERO [NH3+][C@@H]1CCCN(c2ncccc2S(=O)(=O)N2CCCC2)C1 ZINC000070458372 190896990 /nfs/dbraw/zinc/89/69/90/190896990.db2.gz KQLDHBDSTFNGPL-GFCCVEGCSA-N 1 0 310.423 0.794 10 0 DCAERO COC[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171534055 186171306 /nfs/dbraw/zinc/17/13/06/186171306.db2.gz RVDKLPICPXDHAA-ZDUSSCGKSA-N 1 0 306.410 0.732 10 0 DCAERO CCCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000111268451 282712886 /nfs/dbraw/zinc/71/28/86/282712886.db2.gz GKWQQYVRHRLVTN-RWMBFGLXSA-N 1 0 302.440 0.658 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000333493864 290934401 /nfs/dbraw/zinc/93/44/01/290934401.db2.gz CPVUBCSZUBXJGV-UONOGXRCSA-N 1 0 323.441 0.670 10 0 DCAERO COCC[NH+]1CCC(NC(=O)NCCn2cc(C)cn2)CC1 ZINC000172281702 198070544 /nfs/dbraw/zinc/07/05/44/198070544.db2.gz OBSFBNFAJAJSPO-UHFFFAOYSA-N 1 0 309.414 0.602 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCO1 ZINC000172337588 198082089 /nfs/dbraw/zinc/08/20/89/198082089.db2.gz GJTHHCITYFTZDR-NSHDSACASA-N 1 0 324.356 0.719 10 0 DCAERO Cc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2=O)n(C)n1 ZINC000173488505 198220284 /nfs/dbraw/zinc/22/02/84/198220284.db2.gz FMSANZPZEPXHMA-AWEZNQCLSA-N 1 0 305.426 0.860 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 ZINC000173792552 198252682 /nfs/dbraw/zinc/25/26/82/198252682.db2.gz YXASRAFCOVUOSG-CQSZACIVSA-N 1 0 323.368 0.231 10 0 DCAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)NC)nn2)C[C@H]1CC ZINC000173915758 198268104 /nfs/dbraw/zinc/26/81/04/198268104.db2.gz SIXZYPNZQBIIGL-CYBMUJFWSA-N 1 0 321.425 0.773 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC000262319080 291039996 /nfs/dbraw/zinc/03/99/96/291039996.db2.gz CBJGZEBERORJSR-GJZGRUSLSA-N 1 0 322.453 0.141 10 0 DCAERO C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1c1ccccc1 ZINC000248142862 283047484 /nfs/dbraw/zinc/04/74/84/283047484.db2.gz YYXHUMMPEBDJBU-IUODEOHRSA-N 1 0 316.361 0.100 10 0 DCAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000119395624 283096285 /nfs/dbraw/zinc/09/62/85/283096285.db2.gz OLMBLPWVFLLGQN-VXGBXAGGSA-N 1 0 322.409 0.260 10 0 DCAERO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000081525189 192283019 /nfs/dbraw/zinc/28/30/19/192283019.db2.gz MOFDJHFZGDDUQG-LBPRGKRZSA-N 1 0 307.394 0.625 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000261712111 283390318 /nfs/dbraw/zinc/39/03/18/283390318.db2.gz VIJYCUPPTJOXJW-ZIAGYGMSSA-N 1 0 311.426 0.662 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cncc(OCCO)n1 ZINC000186527965 237316270 /nfs/dbraw/zinc/31/62/70/237316270.db2.gz DTEGFFHHPTWOMA-ZDUSSCGKSA-N 1 0 309.414 0.286 10 0 DCAERO CCCC(=O)N[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188480464 200254092 /nfs/dbraw/zinc/25/40/92/200254092.db2.gz IRMZQJKOJGAIQN-NSHDSACASA-N 1 0 319.409 0.576 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000153587036 291207834 /nfs/dbraw/zinc/20/78/34/291207834.db2.gz SCLQAIBWMWHULV-UHFFFAOYSA-N 1 0 319.471 0.551 10 0 DCAERO O=C(NCc1ccnc(-n2ccnc2)c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188735337 200297753 /nfs/dbraw/zinc/29/77/53/200297753.db2.gz ASSZKZJLNDIBCK-UHFFFAOYSA-N 1 0 323.360 0.566 10 0 DCAERO CC(C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)N1CCOCC1 ZINC000188707618 200292279 /nfs/dbraw/zinc/29/22/79/200292279.db2.gz KNJMAFXJJHMSKC-CQSZACIVSA-N 1 0 321.425 0.142 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000154281751 291212063 /nfs/dbraw/zinc/21/20/63/291212063.db2.gz FYSYNNIHVAWSCN-UHFFFAOYSA-N 1 0 304.394 0.824 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)nn1 ZINC000154293877 291212500 /nfs/dbraw/zinc/21/25/00/291212500.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 1 0 309.414 0.408 10 0 DCAERO COc1ccccc1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000155252380 291218353 /nfs/dbraw/zinc/21/83/53/291218353.db2.gz JOOXTDDCEJHMDK-CYBMUJFWSA-N 1 0 307.394 0.896 10 0 DCAERO CCC[C@H](C(=O)N1CCN(CC(=O)NC(C)C)CC1)[NH+](C)C ZINC000159115538 291233617 /nfs/dbraw/zinc/23/36/17/291233617.db2.gz WUGXEBYOVFOPHF-CQSZACIVSA-N 1 0 312.458 0.386 10 0 DCAERO C[C@]1(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]C1 ZINC000261910219 291380513 /nfs/dbraw/zinc/38/05/13/291380513.db2.gz YCQIZIBFKFYUNU-KGLIPLIRSA-N 1 0 301.456 0.486 10 0 DCAERO O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000219783874 201564254 /nfs/dbraw/zinc/56/42/54/201564254.db2.gz LDUNOOLMIWQQQG-RNJOBUHISA-N 1 0 300.424 0.601 10 0 DCAERO O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000225617980 284030646 /nfs/dbraw/zinc/03/06/46/284030646.db2.gz KLIDNHSSCARMDQ-RNJOBUHISA-N 1 0 300.424 0.601 10 0 DCAERO O=C(N[C@@H]1CCOc2ccccc21)N1CCOC2(C[NH2+]C2)C1 ZINC000333461272 284083807 /nfs/dbraw/zinc/08/38/07/284083807.db2.gz ZDPXGBSNHQRPMQ-CYBMUJFWSA-N 1 0 303.362 0.894 10 0 DCAERO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094571059 193381772 /nfs/dbraw/zinc/38/17/72/193381772.db2.gz NPQLWJLJGKBYAJ-YPMHNXCESA-N 1 0 312.391 0.213 10 0 DCAERO C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)C[C@@H]1[NH+](C)C ZINC000274965964 212046135 /nfs/dbraw/zinc/04/61/35/212046135.db2.gz XGPLUGNSNHUWNJ-OLZOCXBDSA-N 1 0 318.425 0.141 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc2c1ncnc2N ZINC000265070940 204377001 /nfs/dbraw/zinc/37/70/01/204377001.db2.gz NYMSRUZVDIHURZ-GHMZBOCLSA-N 1 0 315.381 0.104 10 0 DCAERO CC[N@H+](C)CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000189797249 284337954 /nfs/dbraw/zinc/33/79/54/284337954.db2.gz IDJYIPAYFVVVRM-GJZGRUSLSA-N 1 0 323.437 0.496 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000288324418 220084809 /nfs/dbraw/zinc/08/48/09/220084809.db2.gz XUUKBPAJKJFLKK-NSHDSACASA-N 1 0 320.393 0.674 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CCN(c3nccnc3OC(F)F)C[C@H]21 ZINC000288439723 220142376 /nfs/dbraw/zinc/14/23/76/220142376.db2.gz OCDIQTFCRPIOIK-NXEZZACHSA-N 1 0 300.309 0.987 10 0 DCAERO O=S(=O)(Nc1ccc(Br)cn1)N1CC[NH2+]CC1 ZINC000020373583 182212784 /nfs/dbraw/zinc/21/27/84/182212784.db2.gz DNDHYTDUAKLGGD-UHFFFAOYSA-N 1 0 321.200 0.406 10 0 DCAERO CCC[NH+]1CCN(C(=O)Cn2ncn3cccc3c2=O)CC1 ZINC000020901595 182252955 /nfs/dbraw/zinc/25/29/55/182252955.db2.gz OBOFYEGQPRGYEJ-UHFFFAOYSA-N 1 0 303.366 0.050 10 0 DCAERO NS(=O)(=O)c1cccc(C[NH2+]C2CCS(=O)CC2)c1 ZINC000042353662 183257386 /nfs/dbraw/zinc/25/73/86/183257386.db2.gz FUXYMTOJCALAGG-UHFFFAOYSA-N 1 0 302.421 0.335 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCCCC1 ZINC000105167636 194080313 /nfs/dbraw/zinc/08/03/13/194080313.db2.gz MUCCVDMIOXHYCP-HUUCEWRRSA-N 1 0 312.458 0.738 10 0 DCAERO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802766 194131249 /nfs/dbraw/zinc/13/12/49/194131249.db2.gz VBMLTZKGMOTJEE-AWEZNQCLSA-N 1 0 319.409 0.236 10 0 DCAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NCc1cccs1 ZINC000105871477 194151128 /nfs/dbraw/zinc/15/11/28/194151128.db2.gz OZNOAZZYOJKZCP-MNOVXSKESA-N 1 0 305.407 0.949 10 0 DCAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874087 194153418 /nfs/dbraw/zinc/15/34/18/194153418.db2.gz NILOPGAVZWIDJK-QWHCGFSZSA-N 1 0 323.441 0.847 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875592 194153434 /nfs/dbraw/zinc/15/34/34/194153434.db2.gz HBZDVTPTDOEYSR-LBPRGKRZSA-N 1 0 321.425 0.909 10 0 DCAERO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883605 194156958 /nfs/dbraw/zinc/15/69/58/194156958.db2.gz PZQNGMXAUYKBMU-CYBMUJFWSA-N 1 0 322.413 0.616 10 0 DCAERO Cc1ccccc1CCNC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927297 194173312 /nfs/dbraw/zinc/17/33/12/194173312.db2.gz XCFLRRAPYGPBPX-QGZVFWFLSA-N 1 0 319.449 0.916 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000106387031 194205731 /nfs/dbraw/zinc/20/57/31/194205731.db2.gz USOAFPNCXZSHNZ-HZPDHXFCSA-N 1 0 308.422 0.815 10 0 DCAERO CC(C)c1nnc2ccc(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)cn21 ZINC000333297109 252703463 /nfs/dbraw/zinc/70/34/63/252703463.db2.gz JWVKHCLRCWQQOW-RYUDHWBXSA-N 1 0 318.381 0.649 10 0 DCAERO CC(C)[N@H+](C[C@@H](C)O)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000340768251 253300602 /nfs/dbraw/zinc/30/06/02/253300602.db2.gz JCYYILLAUSVOKR-CHWSQXEVSA-N 1 0 320.389 0.735 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3nncn3c2)[N@H+](C)C1 ZINC000346698354 254084998 /nfs/dbraw/zinc/08/49/98/254084998.db2.gz KVGNXJWNBCRGLV-STQMWFEESA-N 1 0 303.366 0.520 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000174233562 285230654 /nfs/dbraw/zinc/23/06/54/285230654.db2.gz SOCWOQSNIISGST-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1 ZINC000248029234 257110984 /nfs/dbraw/zinc/11/09/84/257110984.db2.gz SUQAVRKRFQCRBX-ZIAGYGMSSA-N 1 0 302.378 0.060 10 0 DCAERO Cc1occc1C(=O)N1C[C@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC000247963762 257113037 /nfs/dbraw/zinc/11/30/37/257113037.db2.gz FZYVDODHKQSJBS-LSDHHAIUSA-N 1 0 307.394 0.675 10 0 DCAERO COc1ncccc1C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)N(C)C)C1 ZINC000247949549 257113167 /nfs/dbraw/zinc/11/31/67/257113167.db2.gz BRBPCJYZMIUIMY-BBRMVZONSA-N 1 0 305.378 0.627 10 0 DCAERO COCC[N@@H+]1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1 ZINC000247900523 257115058 /nfs/dbraw/zinc/11/50/58/257115058.db2.gz ANXOTTHGNAZWLN-HRCADAONSA-N 1 0 306.410 0.841 10 0 DCAERO COC(=O)CC1(CS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000176692662 533305605 /nfs/dbraw/zinc/30/56/05/533305605.db2.gz BAGLDMDXGDLDCD-LLVKDONJSA-N 1 0 304.412 0.295 10 0 DCAERO COc1ccc(CC(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000299742444 533440362 /nfs/dbraw/zinc/44/03/62/533440362.db2.gz JFJIMGZKRPXLJR-DOMZBBRYSA-N 1 0 306.362 0.446 10 0 DCAERO Cn1ccnc1[C@H]1CN(C(=O)c2cncc(O)c2)CCN1C ZINC000275529275 130330218 /nfs/dbraw/zinc/33/02/18/130330218.db2.gz DNDFZRQNPNNFLA-CYBMUJFWSA-N 1 0 301.350 0.650 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000283828749 131027532 /nfs/dbraw/zinc/02/75/32/131027532.db2.gz FARPWTNWZKJYRT-HZSPNIEDSA-N 1 0 307.398 0.386 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(c3ccc4nnc(C(F)F)n4n3)[C@H]2C1 ZINC000284452340 131081622 /nfs/dbraw/zinc/08/16/22/131081622.db2.gz CXXPMBKZXXWPBO-VHSXEESVSA-N 1 0 324.335 0.971 10 0 DCAERO CN(C)C(=O)COC[C@@H]1CN(Cc2ccnn2C)CC(C)(C)O1 ZINC000284606059 131097351 /nfs/dbraw/zinc/09/73/51/131097351.db2.gz RNLGOCVVNOOUOX-AWEZNQCLSA-N 1 0 324.425 0.504 10 0 DCAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000120519981 132144542 /nfs/dbraw/zinc/14/45/42/132144542.db2.gz IBRSVUIDMFUZLS-GMSGAONNSA-N 1 0 312.313 0.908 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N2CC[NH+](CC3CC3)CC2)n1C ZINC000121366586 132155194 /nfs/dbraw/zinc/15/51/94/132155194.db2.gz HYSTVBMJDCHKOY-UHFFFAOYSA-N 1 0 320.441 0.110 10 0 DCAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089684444 395714032 /nfs/dbraw/zinc/71/40/32/395714032.db2.gz PTETWAAHVNEPLY-NSHDSACASA-N 1 0 324.402 0.890 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000041642857 395738588 /nfs/dbraw/zinc/73/85/88/395738588.db2.gz ZDRBEMTXWLTOPY-CQSZACIVSA-N 1 0 323.368 0.727 10 0 DCAERO CC1CC[NH+](CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000045745024 395765580 /nfs/dbraw/zinc/76/55/80/395765580.db2.gz HVUXZKYYZIMNPF-ZIAGYGMSSA-N 1 0 319.471 0.662 10 0 DCAERO CC(C)[NH2+]C1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000108370712 395789328 /nfs/dbraw/zinc/78/93/28/395789328.db2.gz XCBIXORCAMNLHE-CYBMUJFWSA-N 1 0 324.469 0.574 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000193615995 395773860 /nfs/dbraw/zinc/77/38/60/395773860.db2.gz AWZWTZCHBOWCPY-LLVKDONJSA-N 1 0 305.382 0.219 10 0 DCAERO CN1CC(=O)N(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000195085995 395816246 /nfs/dbraw/zinc/81/62/46/395816246.db2.gz HCEBNYYGJMPDBM-ZDUSSCGKSA-N 1 0 322.409 0.357 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cn1 ZINC000112548765 395819005 /nfs/dbraw/zinc/81/90/05/395819005.db2.gz OCLMAURLNHTILG-CMPLNLGQSA-N 1 0 312.801 0.982 10 0 DCAERO COc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000112548602 395819040 /nfs/dbraw/zinc/81/90/40/395819040.db2.gz VFFPYLZNLFTNPL-DOMZBBRYSA-N 1 0 307.394 0.942 10 0 DCAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCc2cccs2)CCO1 ZINC000195376833 395825401 /nfs/dbraw/zinc/82/54/01/395825401.db2.gz SWTRTELFYCXOJU-GFCCVEGCSA-N 1 0 318.464 0.883 10 0 DCAERO CC(C)CS(=O)(=O)CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195333447 395825427 /nfs/dbraw/zinc/82/54/27/395825427.db2.gz LTTGJGQVDDVHBH-CYBMUJFWSA-N 1 0 302.440 0.754 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000113223272 395828311 /nfs/dbraw/zinc/82/83/11/395828311.db2.gz VWMCPPLLSCZLEC-TZMCWYRMSA-N 1 0 317.389 0.859 10 0 DCAERO CC1(C)NC(=O)N(CC[NH+]2CCC(c3cc[nH]n3)CC2)C1=O ZINC000195507632 395830857 /nfs/dbraw/zinc/83/08/57/395830857.db2.gz UXNHIPMUIADVHX-UHFFFAOYSA-N 1 0 305.382 0.920 10 0 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ZINC000119688241 395873835 /nfs/dbraw/zinc/87/38/35/395873835.db2.gz IEFNECABFDNVSN-MCIONIFRSA-N 1 0 304.456 0.320 10 0 DCAERO Nc1cc(N)[nH+]c(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000053450941 395884327 /nfs/dbraw/zinc/88/43/27/395884327.db2.gz DSDMLPUTUXDKRC-VHSXEESVSA-N 1 0 323.422 0.903 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnnn1CC(F)(F)F ZINC000248862978 395998363 /nfs/dbraw/zinc/99/83/63/395998363.db2.gz XRSCPZHEFFGGGK-UWVGGRQHSA-N 1 0 304.320 0.904 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245529355 395931776 /nfs/dbraw/zinc/93/17/76/395931776.db2.gz WVWNLHIPZABDKI-UONOGXRCSA-N 1 0 304.456 0.943 10 0 DCAERO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000245708771 395934531 /nfs/dbraw/zinc/93/45/31/395934531.db2.gz MWIOXTLYWWLRLW-OBJOEFQTSA-N 1 0 311.426 0.253 10 0 DCAERO COc1c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)nn1C ZINC000245789133 395936010 /nfs/dbraw/zinc/93/60/10/395936010.db2.gz VUYAKLKOVHSOAP-DOMZBBRYSA-N 1 0 308.426 0.890 10 0 DCAERO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](n2cncn2)C1 ZINC000245830766 395936753 /nfs/dbraw/zinc/93/67/53/395936753.db2.gz SEJRILINPRIFCR-WDEREUQCSA-N 1 0 317.401 0.509 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC(C)(C)CO)C[C@@H]1C ZINC000245914977 395938359 /nfs/dbraw/zinc/93/83/59/395938359.db2.gz WHSIQEHQEIWZBY-KBPBESRZSA-N 1 0 315.458 0.882 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCNS(=O)(=O)CC ZINC000245976917 395939147 /nfs/dbraw/zinc/93/91/47/395939147.db2.gz GKDOKFNEMGVTEH-KGLIPLIRSA-N 1 0 303.472 0.874 10 0 DCAERO COC(=O)Cn1cc(CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nn1 ZINC000246072372 395940775 /nfs/dbraw/zinc/94/07/75/395940775.db2.gz DCTKAFRAFQXECE-JSGCOSHPSA-N 1 0 307.398 0.162 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccn(C)c2=O)C1 ZINC000246415704 395949998 /nfs/dbraw/zinc/94/99/98/395949998.db2.gz MGDZOULYQMIJSJ-WCQYABFASA-N 1 0 320.393 0.169 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246771427 395957114 /nfs/dbraw/zinc/95/71/14/395957114.db2.gz AXUZDYMWTHISSM-ZWNOBZJWSA-N 1 0 312.439 0.894 10 0 DCAERO CCc1nnc(CN2CC[N@H+](CCC(=O)OC)C[C@H]2C)n1C ZINC000246991112 395962754 /nfs/dbraw/zinc/96/27/54/395962754.db2.gz AYSRKMNRWAACHY-GFCCVEGCSA-N 1 0 309.414 0.447 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000248915898 396000500 /nfs/dbraw/zinc/00/05/00/396000500.db2.gz JWPBMRHYOMVQON-CRWXNKLISA-N 1 0 302.440 0.910 10 0 DCAERO NC(=O)NCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061637202 395969405 /nfs/dbraw/zinc/96/94/05/395969405.db2.gz ZPSPMAGKINGVKF-UHFFFAOYSA-N 1 0 322.434 0.885 10 0 DCAERO COc1ncnc(OC)c1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247533089 395976197 /nfs/dbraw/zinc/97/61/97/395976197.db2.gz XSBHDQLEMYYJMQ-MNOVXSKESA-N 1 0 306.366 0.803 10 0 DCAERO CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000247598624 395976460 /nfs/dbraw/zinc/97/64/60/395976460.db2.gz TUOFKBRPNRTIEK-HOTGVXAUSA-N 1 0 324.469 0.833 10 0 DCAERO 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/nfs/dbraw/zinc/03/26/00/396032600.db2.gz GUXRNEIQBLNDGH-ZDUSSCGKSA-N 1 0 300.362 0.867 10 0 DCAERO CCCC[NH2+]C[C@H](O)COc1cccc2c1C[C@H](O)[C@@H](O)C2 ZINC000256164371 396033567 /nfs/dbraw/zinc/03/35/67/396033567.db2.gz VSMUQFAEQWNNML-BPUTZDHNSA-N 1 0 309.406 0.636 10 0 DCAERO O=c1n2ccccc2nn1CCN1CCC([NH2+]CC2CC2)CC1 ZINC000261668839 396054868 /nfs/dbraw/zinc/05/48/68/396054868.db2.gz GZDVNOOELPGJOQ-UHFFFAOYSA-N 1 0 315.421 0.960 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152237426 396003615 /nfs/dbraw/zinc/00/36/15/396003615.db2.gz MUQQHGYDCMFDEQ-CYBMUJFWSA-N 1 0 304.350 0.477 10 0 DCAERO NS(=O)(=O)CCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249587254 396009896 /nfs/dbraw/zinc/00/98/96/396009896.db2.gz UFZHEOIZHNTUFV-RYUDHWBXSA-N 1 0 304.437 0.434 10 0 DCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000066664895 396012657 /nfs/dbraw/zinc/01/26/57/396012657.db2.gz OEBHFKQGBKVVKJ-RYUDHWBXSA-N 1 0 308.444 0.176 10 0 DCAERO 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/nfs/dbraw/zinc/09/29/18/396092918.db2.gz YZJSXACWGLOGOL-MCIONIFRSA-N 1 0 319.471 0.061 10 0 DCAERO CC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170845369 396098673 /nfs/dbraw/zinc/09/86/73/396098673.db2.gz LOVQPCJWKWASQT-AWEZNQCLSA-N 1 0 303.362 0.990 10 0 DCAERO Cc1nn(CC(=O)OC(C)C)c(C)c1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000262113486 396100562 /nfs/dbraw/zinc/10/05/62/396100562.db2.gz KUKIECGCASIPAR-ZFWWWQNUSA-N 1 0 324.425 0.121 10 0 DCAERO COCc1cccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000171107165 396107050 /nfs/dbraw/zinc/10/70/50/396107050.db2.gz BOVZTLQJIQJCTB-ZDUSSCGKSA-N 1 0 314.407 0.442 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000171193257 396110054 /nfs/dbraw/zinc/11/00/54/396110054.db2.gz RNAIWWQEHAKGKF-AWEZNQCLSA-N 1 0 322.384 0.949 10 0 DCAERO CN(C[C@H]1COc2ccccc2O1)C(=O)C1([NH3+])CCOCC1 ZINC000262292063 396119077 /nfs/dbraw/zinc/11/90/77/396119077.db2.gz NJQBAXAMRPKJTA-LBPRGKRZSA-N 1 0 306.362 0.793 10 0 DCAERO 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/nfs/dbraw/zinc/13/86/73/396138673.db2.gz HHRZEVMKZJOWJH-OLZOCXBDSA-N 1 0 319.471 0.505 10 0 DCAERO COC(=O)CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262433022 396139891 /nfs/dbraw/zinc/13/98/91/396139891.db2.gz RUWNPVWPUVDRSH-YPMHNXCESA-N 1 0 308.334 0.290 10 0 DCAERO C[C@@H]1C[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@@H]2C[C@@H]2C)CC[NH2+]C1 ZINC000261906411 396077851 /nfs/dbraw/zinc/07/78/51/396077851.db2.gz HBNFNLNQDJRUFG-XKSGDERDSA-N 1 0 307.438 0.901 10 0 DCAERO CCCS(=O)(=O)NC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261929121 396080138 /nfs/dbraw/zinc/08/01/38/396080138.db2.gz COHDRFASJGNEJG-CQSZACIVSA-N 1 0 303.472 0.780 10 0 DCAERO Cc1ccccc1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261938860 396081818 /nfs/dbraw/zinc/08/18/18/396081818.db2.gz KWQGEHQOXGOFQM-UHFFFAOYSA-N 1 0 304.394 0.297 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSc1ccncc1 ZINC000261970622 396085007 /nfs/dbraw/zinc/08/50/07/396085007.db2.gz MQHRWXMEJLWIEC-UHFFFAOYSA-N 1 0 308.407 0.064 10 0 DCAERO 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/nfs/dbraw/zinc/29/24/25/396292425.db2.gz FKLITEMVTCVCLC-GFCCVEGCSA-N 1 0 323.393 0.822 10 0 DCAERO COC(=O)c1coc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184369585 396292476 /nfs/dbraw/zinc/29/24/76/396292476.db2.gz FKLITEMVTCVCLC-LBPRGKRZSA-N 1 0 323.393 0.822 10 0 DCAERO CNC(=O)CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000184516048 396298009 /nfs/dbraw/zinc/29/80/09/396298009.db2.gz LNZLTAITEICAQX-ZIAGYGMSSA-N 1 0 310.442 0.140 10 0 DCAERO CCOCCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184803563 396307264 /nfs/dbraw/zinc/30/72/64/396307264.db2.gz RCRUFZLEIAWJQQ-CYBMUJFWSA-N 1 0 301.431 0.757 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000186221815 396345457 /nfs/dbraw/zinc/34/54/57/396345457.db2.gz LYIQVSGXLMBXBA-AWEZNQCLSA-N 1 0 324.425 0.485 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000186298401 396347056 /nfs/dbraw/zinc/34/70/56/396347056.db2.gz AFAASBPVXSAVAC-CQSZACIVSA-N 1 0 322.457 0.982 10 0 DCAERO 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CN(C)c1noc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000192718960 396436790 /nfs/dbraw/zinc/43/67/90/396436790.db2.gz IDGUJPCWHFNKSK-CYBMUJFWSA-N 1 0 309.414 0.680 10 0 DCAERO CCN(CCC[NH+]1CCCC1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000188117737 396379232 /nfs/dbraw/zinc/37/92/32/396379232.db2.gz RTEHKNDDOGYYDI-UHFFFAOYSA-N 1 0 324.425 0.651 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000193323480 396448554 /nfs/dbraw/zinc/44/85/54/396448554.db2.gz CFNWGECFZOWFMY-BETUJISGSA-N 1 0 323.418 0.228 10 0 DCAERO Cc1onc(N)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290649508 396468684 /nfs/dbraw/zinc/46/86/84/396468684.db2.gz DVUJPELZUBYEGN-WPRPVWTQSA-N 1 0 302.400 0.668 10 0 DCAERO C[N@@H+]1CCO[C@H]2CN(c3ccc4nnc(C5CC5)n4n3)C[C@H]21 ZINC000301629898 396717380 /nfs/dbraw/zinc/71/73/80/396717380.db2.gz CEJNUIFBVJFFMP-NEPJUHHUSA-N 1 0 300.366 0.521 10 0 DCAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=NNC(=O)CC1 ZINC000309759930 396759467 /nfs/dbraw/zinc/75/94/67/396759467.db2.gz 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396894931 /nfs/dbraw/zinc/89/49/31/396894931.db2.gz BOJNHRDABAWMJV-CBBWQLFWSA-N 1 0 323.437 0.613 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]3CC[N@@H+](C)C[C@@H]31)CC2 ZINC000332837630 396896400 /nfs/dbraw/zinc/89/64/00/396896400.db2.gz ZHECWMRSDJHJNN-MCIONIFRSA-N 1 0 318.425 0.637 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000569886969 396921379 /nfs/dbraw/zinc/92/13/79/396921379.db2.gz MWMSBJQATZWZAF-BYCMXARLSA-N 1 0 321.421 0.223 10 0 DCAERO CS(=O)(=O)C1=C(c2ccccc2)[N+]2=c3ccccc3=N[C@H]2N=C1 ZINC000618256288 396942525 /nfs/dbraw/zinc/94/25/25/396942525.db2.gz HKJFPXLAQWUGMD-QGZVFWFLSA-N 1 0 324.385 0.592 10 0 DCAERO CN1CCO[C@@H](C[N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000591910953 397033236 /nfs/dbraw/zinc/03/32/36/397033236.db2.gz LGQDZUQXUAIDSD-DLBZAZTESA-N 1 0 308.422 0.827 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601345261 397070147 /nfs/dbraw/zinc/07/01/47/397070147.db2.gz AJSSZXFQOKTINO-BDAKNGLRSA-N 1 0 318.420 0.750 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000573536042 397177992 /nfs/dbraw/zinc/17/79/92/397177992.db2.gz RDUYWCUAFDFFKQ-WMLDXEAASA-N 1 0 323.437 0.568 10 0 DCAERO c1c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)nnn1C[C@@H]1CCOC1 ZINC000631150773 397179280 /nfs/dbraw/zinc/17/92/80/397179280.db2.gz IOTQYBPSNFEAEC-CWRNSKLLSA-N 1 0 321.425 0.267 10 0 DCAERO C(c1nnnn1CC1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000365632510 397303566 /nfs/dbraw/zinc/30/35/66/397303566.db2.gz KCCFDEUJBVXETI-UHFFFAOYSA-N 1 0 306.414 0.380 10 0 DCAERO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC1(O)CCC(C)CC1 ZINC000408425027 397356540 /nfs/dbraw/zinc/35/65/40/397356540.db2.gz ZCEFJFYGTPJPJB-ROKHWSDSSA-N 1 0 304.456 0.941 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000577810887 397362288 /nfs/dbraw/zinc/36/22/88/397362288.db2.gz BXYWKAVDUBLMNW-UHFFFAOYSA-N 1 0 322.453 0.802 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](CN2CCCC[C@@H]2C(=[NH2+])NO)C1 ZINC000368479519 397421175 /nfs/dbraw/zinc/42/11/75/397421175.db2.gz UQUATKYELLSMLO-WDEREUQCSA-N 1 0 304.416 0.078 10 0 DCAERO COC(=O)[C@]1(C)CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000614588816 397476486 /nfs/dbraw/zinc/47/64/86/397476486.db2.gz OTMJNHHBLZLPEW-KRWDZBQOSA-N 1 0 323.437 0.757 10 0 DCAERO CCCC[NH+]1CCC([C@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000371097539 397544435 /nfs/dbraw/zinc/54/44/35/397544435.db2.gz FYPBHUOALWCYNR-AWEZNQCLSA-N 1 0 309.410 0.630 10 0 DCAERO O=C(NC1CC1)c1ccc(N2CCC[N@@H+](CCO)CC2)nc1 ZINC000606893192 397690150 /nfs/dbraw/zinc/69/01/50/397690150.db2.gz YSHNJUUAWXHTAQ-UHFFFAOYSA-N 1 0 304.394 0.478 10 0 DCAERO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CCO)CC2)c(F)c1 ZINC000607059218 397695187 /nfs/dbraw/zinc/69/51/87/397695187.db2.gz BYKFKCKRMYKLMB-UHFFFAOYSA-N 1 0 323.368 0.646 10 0 DCAERO COCC(=O)N1Cc2ccnn2C[C@H](COCC[NH+](C)C)C1 ZINC000096188991 292178996 /nfs/dbraw/zinc/17/89/96/292178996.db2.gz XKJMWNFOWRWZJH-CYBMUJFWSA-N 1 0 310.398 0.066 10 0 DCAERO 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FETAMXSZERQVOV-GJZGRUSLSA-N 1 0 314.474 0.720 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)C[NH+]1CCCC1 ZINC000079987665 158079933 /nfs/dbraw/zinc/07/99/33/158079933.db2.gz GIZHEGYLGZFLLA-GJZGRUSLSA-N 1 0 312.458 0.738 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C(N)=O)o1 ZINC000083231534 158087612 /nfs/dbraw/zinc/08/76/12/158087612.db2.gz GBPDBIBKBBEDRR-NSHDSACASA-N 1 0 324.381 0.289 10 0 DCAERO Cc1cc(N2CC[NH+](CCn3cccn3)CC2)n2ncnc2n1 ZINC000098132612 158127002 /nfs/dbraw/zinc/12/70/02/158127002.db2.gz JKXRRAYSTPOIMQ-UHFFFAOYSA-N 1 0 312.381 0.451 10 0 DCAERO CNC(=O)C1(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000106284295 158134066 /nfs/dbraw/zinc/13/40/66/158134066.db2.gz QXXXAXODGUNFEH-LBPRGKRZSA-N 1 0 309.410 0.224 10 0 DCAERO COCCc1noc(CN2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819367 158138168 /nfs/dbraw/zinc/13/81/68/158138168.db2.gz DNMAYWIRIHAAEN-AWEZNQCLSA-N 1 0 324.425 0.945 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCC[N@H+](C)CCOC)CC2 ZINC000114954906 158159763 /nfs/dbraw/zinc/15/97/63/158159763.db2.gz CHIYJPIQRJKPIN-LBPRGKRZSA-N 1 0 324.429 0.033 10 0 DCAERO CS(=O)(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000116890027 158167386 /nfs/dbraw/zinc/16/73/86/158167386.db2.gz OPRHGGXSGAZIRU-LBPRGKRZSA-N 1 0 302.371 0.828 10 0 DCAERO CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788636 158167579 /nfs/dbraw/zinc/16/75/79/158167579.db2.gz KNMYNCIRRSFOHQ-NEPJUHHUSA-N 1 0 300.403 0.003 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc(C)cn1 ZINC000118074285 158175593 /nfs/dbraw/zinc/17/55/93/158175593.db2.gz VWXJLQVXVQVBHR-CQSZACIVSA-N 1 0 309.414 0.602 10 0 DCAERO C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1CCOCC1 ZINC000119152020 158183845 /nfs/dbraw/zinc/18/38/45/158183845.db2.gz MBNVKQSHDKKULW-ZDUSSCGKSA-N 1 0 311.426 0.282 10 0 DCAERO C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444245 158187686 /nfs/dbraw/zinc/18/76/86/158187686.db2.gz ZORWKUHEUQGPPU-OLZOCXBDSA-N 1 0 300.447 0.593 10 0 DCAERO CCS(=O)(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000125390255 286674139 /nfs/dbraw/zinc/67/41/39/286674139.db2.gz BNTYMTJIAVBZAB-CYBMUJFWSA-N 1 0 313.423 0.345 10 0 DCAERO CCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000122518082 158221730 /nfs/dbraw/zinc/22/17/30/158221730.db2.gz SWBOCGLURINMLH-XYPWUTKMSA-N 1 0 324.469 0.975 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000122794965 158224363 /nfs/dbraw/zinc/22/43/63/158224363.db2.gz JJUPSQICDQHSMC-BFHYXJOUSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@H]1C[C@@H](N(C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123697007 158232878 /nfs/dbraw/zinc/23/28/78/158232878.db2.gz IYVLZTUWAXLFMM-GJZGRUSLSA-N 1 0 324.469 0.530 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)CCO1 ZINC000124260468 158239788 /nfs/dbraw/zinc/23/97/88/158239788.db2.gz CEEGMMUJEZUTGR-CYBMUJFWSA-N 1 0 319.405 0.711 10 0 DCAERO COCC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000124560727 158244257 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C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000135757970 158340379 /nfs/dbraw/zinc/34/03/79/158340379.db2.gz FDVBWBIHKFZRMY-MJBXVCDLSA-N 1 0 302.440 0.911 10 0 DCAERO O=S(=O)([C@H]1CCN(CC[NH+]2CCCCC2)C1)N1CCCC1 ZINC000135701029 158340431 /nfs/dbraw/zinc/34/04/31/158340431.db2.gz REPJCBAEOAMNOX-HNNXBMFYSA-N 1 0 315.483 0.972 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C)n1C ZINC000162061302 158358803 /nfs/dbraw/zinc/35/88/03/158358803.db2.gz JTKPYBDCZMIOJL-ZDUSSCGKSA-N 1 0 310.446 0.387 10 0 DCAERO COc1cccc([C@@H](O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000164563399 158363365 /nfs/dbraw/zinc/36/33/65/158363365.db2.gz YGDZCHWVQROSMB-HUUCEWRRSA-N 1 0 308.378 0.518 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCC2(O)CCOCC2)CC1 ZINC000171437115 158383505 /nfs/dbraw/zinc/38/35/05/158383505.db2.gz JTGIPFUSJNSTQF-UHFFFAOYSA-N 1 0 313.442 0.949 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639777 158385625 /nfs/dbraw/zinc/38/56/25/158385625.db2.gz VJGAIZDAGLHDEE-ZIAGYGMSSA-N 1 0 311.426 0.470 10 0 DCAERO COC(C)(C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000171664912 158385631 /nfs/dbraw/zinc/38/56/31/158385631.db2.gz IXHURUANIUFXRP-UHFFFAOYSA-N 1 0 311.426 0.568 10 0 DCAERO CCNS(=O)(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000172456953 158394720 /nfs/dbraw/zinc/39/47/20/158394720.db2.gz HBOQSQMUSWDBGV-UHFFFAOYSA-N 1 0 315.443 0.134 10 0 DCAERO O=C(CNC(=O)c1ccccn1)NC1CC[NH+](C2CC2)CC1 ZINC000172500976 158395067 /nfs/dbraw/zinc/39/50/67/158395067.db2.gz VIIWHKFQKVUEOH-UHFFFAOYSA-N 1 0 302.378 0.554 10 0 DCAERO C[C@@H]1CN(C2CC[NH+](CCCN3CCOCC3)CC2)CCO1 ZINC000172725104 158398207 /nfs/dbraw/zinc/39/82/07/158398207.db2.gz FCJRJYCEHCHIQF-MRXNPFEDSA-N 1 0 311.470 0.894 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)NCC(=O)NCC2CC2)CC1 ZINC000181596452 158486980 /nfs/dbraw/zinc/48/69/80/158486980.db2.gz KKIQORNUCZTRGO-UHFFFAOYSA-N 1 0 310.442 0.932 10 0 DCAERO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)O1 ZINC000186488918 158531853 /nfs/dbraw/zinc/53/18/53/158531853.db2.gz WKRBPDDWBVXUGN-KGLIPLIRSA-N 1 0 305.378 0.511 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230854321 158624789 /nfs/dbraw/zinc/62/47/89/158624789.db2.gz PHHJCJGJGRFRBJ-PSASIEDQSA-N 1 0 306.819 0.869 10 0 DCAERO C[C@@]1(CN2CCN(c3cncc4ncnn43)CC2)CC[NH2+]C1 ZINC000262035869 158765903 /nfs/dbraw/zinc/76/59/03/158765903.db2.gz OOQUCGDDZCUPIE-OAHLLOKOSA-N 1 0 301.398 0.246 10 0 DCAERO [NH3+][C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C1CCOCC1 ZINC000262080525 158770076 /nfs/dbraw/zinc/77/00/76/158770076.db2.gz TVPMGTLDPJSWGE-HNNXBMFYSA-N 1 0 320.393 0.611 10 0 DCAERO C[C@@H]1Sc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2NC1=O ZINC000262150790 158779515 /nfs/dbraw/zinc/77/95/15/158779515.db2.gz HTLGFUPXOSZQNG-PTOFAABTSA-N 1 0 321.402 0.429 10 0 DCAERO CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262229040 158787198 /nfs/dbraw/zinc/78/71/98/158787198.db2.gz KCOGRUZZGSSSEA-BXUZGUMPSA-N 1 0 320.393 0.527 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Br)cs1 ZINC000262314918 158796022 /nfs/dbraw/zinc/79/60/22/158796022.db2.gz QTVZPRRTLYEOBP-POYBYMJQSA-N 1 0 305.197 0.821 10 0 DCAERO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1cccs1 ZINC000262326304 158798420 /nfs/dbraw/zinc/79/84/20/158798420.db2.gz RUNGYLLVMAJBOS-QJPTWQEYSA-N 1 0 311.407 0.012 10 0 DCAERO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262398964 158809356 /nfs/dbraw/zinc/80/93/56/158809356.db2.gz YKPUQIPXVGGIRB-FZMZJTMJSA-N 1 0 319.405 0.981 10 0 DCAERO C[NH2+]C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000262569845 158826619 /nfs/dbraw/zinc/82/66/19/158826619.db2.gz BTUWJROJKGTPJJ-UHFFFAOYSA-N 1 0 322.409 0.452 10 0 DCAERO CCc1cnc(N2CCN(C(=O)C[NH2+]CCOC)CC2)s1 ZINC000262639424 158831246 /nfs/dbraw/zinc/83/12/46/158831246.db2.gz ITWKUUZHKYADRM-UHFFFAOYSA-N 1 0 312.439 0.590 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000262833876 158844847 /nfs/dbraw/zinc/84/48/47/158844847.db2.gz QRNSJVHJVWCJKZ-VXGBXAGGSA-N 1 0 322.409 0.355 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)n2)cc1 ZINC000262860145 158845632 /nfs/dbraw/zinc/84/56/32/158845632.db2.gz TZOIMYTVLBEAEC-JSGCOSHPSA-N 1 0 314.393 0.763 10 0 DCAERO O=C(CCC1CC[NH2+]CC1)NCCNC(=O)c1cnccn1 ZINC000263074092 158854949 /nfs/dbraw/zinc/85/49/49/158854949.db2.gz WXAPSRSOYIGXIB-UHFFFAOYSA-N 1 0 305.382 0.102 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)C[C@H]3CCCO3)[C@H]2C1 ZINC000328870582 159035753 /nfs/dbraw/zinc/03/57/53/159035753.db2.gz YCIMZYTVDZDONJ-HZSPNIEDSA-N 1 0 318.439 0.290 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3cnn(C)c3)C2)[N@H+](C)C1 ZINC000328897694 159039342 /nfs/dbraw/zinc/03/93/42/159039342.db2.gz CVPHLYKKLPOUET-IHRRRGAJSA-N 1 0 308.382 0.039 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000329011148 159051975 /nfs/dbraw/zinc/05/19/75/159051975.db2.gz ZUTFVTQTWFSDQV-YWPYICTPSA-N 1 0 302.382 0.694 10 0 DCAERO O=[S@](CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329204682 159073279 /nfs/dbraw/zinc/07/32/79/159073279.db2.gz XPYLETKLMROLOQ-BBEJJTJUSA-N 1 0 313.444 0.913 10 0 DCAERO Cc1cc(C)n(-c2cncc(NC[C@@H]3C[N@@H+](C)CCN3C)n2)n1 ZINC000329346369 159083893 /nfs/dbraw/zinc/08/38/93/159083893.db2.gz CYELQYZDXHSEED-CQSZACIVSA-N 1 0 315.425 0.937 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cnn(C)c3C)[C@H]2C1 ZINC000329542385 159100931 /nfs/dbraw/zinc/10/09/31/159100931.db2.gz NQYOOFGQPARKED-JKSUJKDBSA-N 1 0 320.437 0.983 10 0 DCAERO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000329640724 159107890 /nfs/dbraw/zinc/10/78/90/159107890.db2.gz XGDLRKGLYIYKSO-OAHLLOKOSA-N 1 0 309.435 0.973 10 0 DCAERO O=S1(=O)CCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000330097514 159141872 /nfs/dbraw/zinc/14/18/72/159141872.db2.gz AUXRVRJVBXAGPO-KBPBESRZSA-N 1 0 312.439 0.992 10 0 DCAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)cn1 ZINC000330235451 159152731 /nfs/dbraw/zinc/15/27/31/159152731.db2.gz YTPWNNZFAMSISL-CYBMUJFWSA-N 1 0 311.407 0.532 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368063629 159372487 /nfs/dbraw/zinc/37/24/87/159372487.db2.gz LMZFEESCJHPIAF-JHJVBQTASA-N 1 0 317.455 0.688 10 0 DCAERO Cn1cc(-c2ncc(C[NH2+][C@@H]3CC(=O)N(C4CC4)C3)cn2)cn1 ZINC000368445941 159395394 /nfs/dbraw/zinc/39/53/94/159395394.db2.gz IWDLCIPHTPEKSM-CYBMUJFWSA-N 1 0 312.377 0.730 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000407987194 160003476 /nfs/dbraw/zinc/00/34/76/160003476.db2.gz XBLBESXCSKNDHC-GFCCVEGCSA-N 1 0 311.430 0.430 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000407995148 160006524 /nfs/dbraw/zinc/00/65/24/160006524.db2.gz GJVILPSOGKRQAM-GXTWGEPZSA-N 1 0 302.440 0.944 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408034450 160018065 /nfs/dbraw/zinc/01/80/65/160018065.db2.gz UBHCKCOENCVQLC-QWHCGFSZSA-N 1 0 318.425 0.182 10 0 DCAERO Cc1noc([C@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)n1 ZINC000408051978 160023919 /nfs/dbraw/zinc/02/39/19/160023919.db2.gz KBZURVIITMOFMV-QWHCGFSZSA-N 1 0 305.382 0.084 10 0 DCAERO CC1CC[NH+](C[C@@H](O)CNC(=O)N2CCSCC2)CC1 ZINC000408074766 160030057 /nfs/dbraw/zinc/03/00/57/160030057.db2.gz XPYHKAHHCFGLRD-ZDUSSCGKSA-N 1 0 301.456 0.838 10 0 DCAERO COC(=O)C1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000408148870 160048685 /nfs/dbraw/zinc/04/86/85/160048685.db2.gz DVVFJGYQFIMBJW-HIFRSBDPSA-N 1 0 323.437 0.567 10 0 DCAERO CC[C@@H]1C[C@H](C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC(=O)N1 ZINC000408205087 160059847 /nfs/dbraw/zinc/05/98/47/160059847.db2.gz XAVZSGQIMBDYRM-LOWDOPEQSA-N 1 0 313.467 0.795 10 0 DCAERO CC(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000408357248 160091423 /nfs/dbraw/zinc/09/14/23/160091423.db2.gz JVZAWDGAYHVTMS-TZMCWYRMSA-N 1 0 319.409 0.561 10 0 DCAERO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCO[C@H](CO)C1 ZINC000408377083 160095190 /nfs/dbraw/zinc/09/51/90/160095190.db2.gz ZCDUBEASKFLKOL-AWEZNQCLSA-N 1 0 312.410 0.241 10 0 DCAERO CCOC[C@H](C)CS(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408461004 160113750 /nfs/dbraw/zinc/11/37/50/160113750.db2.gz SNQSGUJKTVVPLS-IHRRRGAJSA-N 1 0 320.455 0.394 10 0 DCAERO CCCn1nccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081325346 286928835 /nfs/dbraw/zinc/92/88/35/286928835.db2.gz PSGDRLQVTMYHMP-LBPRGKRZSA-N 1 0 307.398 0.642 10 0 DCAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000128666661 286983873 /nfs/dbraw/zinc/98/38/73/286983873.db2.gz BXXKUXVOUFALPU-DGCLKSJQSA-N 1 0 316.361 0.076 10 0 DCAERO CC[NH+](CC)CCN(CCOC)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135576972 287023728 /nfs/dbraw/zinc/02/37/28/287023728.db2.gz PXFCMIBKEAZXAL-KGLIPLIRSA-N 1 0 322.471 0.784 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC000139653773 287029743 /nfs/dbraw/zinc/02/97/43/287029743.db2.gz PHXWOWDUAFTXGO-AWEZNQCLSA-N 1 0 309.414 0.433 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000176983710 287053379 /nfs/dbraw/zinc/05/33/79/287053379.db2.gz GEWPBNIURTXLPK-ZFWWWQNUSA-N 1 0 313.442 0.716 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)o1 ZINC000245842402 287073228 /nfs/dbraw/zinc/07/32/28/287073228.db2.gz DTHUEXFEQIRSRH-QWRGUYRKSA-N 1 0 316.423 0.972 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)CO1 ZINC000246269237 287080148 /nfs/dbraw/zinc/08/01/48/287080148.db2.gz UVOLPJDPLNTXIE-BFHYXJOUSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000246276207 287080401 /nfs/dbraw/zinc/08/04/01/287080401.db2.gz JNNOKPXDQNVASC-NDBYEHHHSA-N 1 0 308.426 0.955 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000246288071 287080737 /nfs/dbraw/zinc/08/07/37/287080737.db2.gz VZMWGYRTMIZTPQ-RYUDHWBXSA-N 1 0 305.444 0.366 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000246310241 287081057 /nfs/dbraw/zinc/08/10/57/287081057.db2.gz AITQEJILGPQZEC-QWRGUYRKSA-N 1 0 304.398 0.563 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000246562052 287085518 /nfs/dbraw/zinc/08/55/18/287085518.db2.gz WUTDTMUYSVDZQZ-RYUDHWBXSA-N 1 0 306.428 0.541 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000246735024 287087442 /nfs/dbraw/zinc/08/74/42/287087442.db2.gz ASTJPVNEQCDWCM-CMPLNLGQSA-N 1 0 322.434 0.808 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247120871 287091417 /nfs/dbraw/zinc/09/14/17/287091417.db2.gz JRPQGSCXUCKQHN-BARDWOONSA-N 1 0 313.442 0.009 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C2CCOCC2)C[C@@H]1C ZINC000248590491 287098334 /nfs/dbraw/zinc/09/83/34/287098334.db2.gz GZXXGNYEMJCXAV-IHRRRGAJSA-N 1 0 313.442 0.898 10 0 DCAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000248829834 287101885 /nfs/dbraw/zinc/10/18/85/287101885.db2.gz LGSCDXRWEFIEFH-ZSBIGDGJSA-N 1 0 300.399 0.678 10 0 DCAERO CC[NH+](CC)CCN(CCOC)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248953352 287103956 /nfs/dbraw/zinc/10/39/56/287103956.db2.gz PXFCMIBKEAZXAL-KBPBESRZSA-N 1 0 322.471 0.784 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000248689527 287100098 /nfs/dbraw/zinc/10/00/98/287100098.db2.gz IQJZZDAQRPFFQM-MJBXVCDLSA-N 1 0 301.431 0.754 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000249097681 287106457 /nfs/dbraw/zinc/10/64/57/287106457.db2.gz OSEDRIMHJISFNC-HZSPNIEDSA-N 1 0 303.447 0.736 10 0 DCAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC000251640099 287119470 /nfs/dbraw/zinc/11/94/70/287119470.db2.gz HDGAGTGXOMILKS-GZBFAFLISA-N 1 0 311.426 0.422 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000251679455 287119548 /nfs/dbraw/zinc/11/95/48/287119548.db2.gz IXBWJJRZPRZGEQ-OLZOCXBDSA-N 1 0 300.399 0.803 10 0 DCAERO CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)CC[C@H]1C ZINC000251692791 287119583 /nfs/dbraw/zinc/11/95/83/287119583.db2.gz JNEWPTUKPSDHQP-VHDGCEQUSA-N 1 0 311.426 0.470 10 0 DCAERO O=C(COc1ccc(F)cc1Cl)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262057353 287127587 /nfs/dbraw/zinc/12/75/87/287127587.db2.gz AOVDFZPAQJSRBO-LDYMZIIASA-N 1 0 302.733 0.554 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)COCc2cccnc2)CC1 ZINC000358404641 287209479 /nfs/dbraw/zinc/20/94/79/287209479.db2.gz YFVPWTRRYIVMPX-UHFFFAOYSA-N 1 0 306.410 0.304 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCNC(=O)C1 ZINC000057201944 415336958 /nfs/dbraw/zinc/33/69/58/415336958.db2.gz HEYPRHSKRUVNTE-AWEZNQCLSA-N 1 0 304.394 0.301 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070576323 415404223 /nfs/dbraw/zinc/40/42/23/415404223.db2.gz ILERKSHOVLVXSS-SDDRHHMPSA-N 1 0 303.428 0.044 10 0 DCAERO Cc1csc(CN2CCO[C@H](CCNC(=O)C3C[NH2+]C3)C2)n1 ZINC000067649841 415379858 /nfs/dbraw/zinc/37/98/58/415379858.db2.gz SAXQGBYJJDTMFL-CYBMUJFWSA-N 1 0 324.450 0.378 10 0 DCAERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000332822250 415483208 /nfs/dbraw/zinc/48/32/08/415483208.db2.gz OQSAGRMHODOSAB-STQMWFEESA-N 1 0 323.466 0.474 10 0 DCAERO C[C@@H]1OCC[C@]1(O)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332991819 415522363 /nfs/dbraw/zinc/52/23/63/415522363.db2.gz AABWMEVUARSHAT-DUCPWMDDSA-N 1 0 311.426 0.841 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333355788 415620886 /nfs/dbraw/zinc/62/08/86/415620886.db2.gz CAXHICZBMLYTMR-CABNGKKXSA-N 1 0 307.398 0.547 10 0 DCAERO C[NH2+]CC1CCN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)CC1 ZINC000333356239 415623367 /nfs/dbraw/zinc/62/33/67/415623367.db2.gz CAZJHBSNUADCCU-CABCVRRESA-N 1 0 321.425 0.891 10 0 DCAERO Cc1cccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000106538734 415644156 /nfs/dbraw/zinc/64/41/56/415644156.db2.gz SZPUFTGTEPNRSJ-CQSZACIVSA-N 1 0 305.426 0.825 10 0 DCAERO Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000287191838 415645887 /nfs/dbraw/zinc/64/58/87/415645887.db2.gz UJEWGWQUILIDSG-CHWSQXEVSA-N 1 0 315.377 0.513 10 0 DCAERO O=S(=O)(N1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707490 415670728 /nfs/dbraw/zinc/67/07/28/415670728.db2.gz QZXYMABDOZZCID-CQSZACIVSA-N 1 0 317.455 0.514 10 0 DCAERO Cc1cc(N2CCC[C@H](NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)C2)n(C)n1 ZINC000333589891 415691741 /nfs/dbraw/zinc/69/17/41/415691741.db2.gz OKHMGLQRKRMWRE-FPMFFAJLSA-N 1 0 320.441 0.686 10 0 DCAERO CCC1(CC)[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[C@H](C)[C@H]1OC ZINC000333704650 415719103 /nfs/dbraw/zinc/71/91/03/415719103.db2.gz DTRJAOMKXFKHTL-QSLWVIQJSA-N 1 0 313.442 0.800 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3C[NH3+])C2)n(C)n1 ZINC000333637285 415701177 /nfs/dbraw/zinc/70/11/77/415701177.db2.gz UAEJLAFZZQZLAH-ZIAGYGMSSA-N 1 0 320.441 0.830 10 0 DCAERO C[N@H+](CCNC(=O)N[C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000112749208 415714272 /nfs/dbraw/zinc/71/42/72/415714272.db2.gz YSNCWQYXLBGQJK-GFCCVEGCSA-N 1 0 306.414 0.767 10 0 DCAERO Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333691291 415714549 /nfs/dbraw/zinc/71/45/49/415714549.db2.gz PUAIKOAKXCKCFT-SECBINFHSA-N 1 0 304.803 0.738 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000333789851 415739632 /nfs/dbraw/zinc/73/96/32/415739632.db2.gz GAYBHSYMVVAUJK-CYBMUJFWSA-N 1 0 304.398 0.450 10 0 DCAERO CN(C(=O)N[C@H]1CCCOc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333826332 415746510 /nfs/dbraw/zinc/74/65/10/415746510.db2.gz RYXIVIAAXAOAHM-IHRRRGAJSA-N 1 0 305.378 0.874 10 0 DCAERO Cc1noc([C@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCN2C)n1 ZINC000333876147 415756034 /nfs/dbraw/zinc/75/60/34/415756034.db2.gz VJMJMHSSEFITAW-QWHCGFSZSA-N 1 0 322.413 0.518 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000123210688 415839747 /nfs/dbraw/zinc/83/97/47/415839747.db2.gz GUBUYRHSVHYZBB-VXGBXAGGSA-N 1 0 303.428 0.009 10 0 DCAERO COCCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000121352513 415800860 /nfs/dbraw/zinc/80/08/60/415800860.db2.gz RNVJGJONUWYTTD-AWEZNQCLSA-N 1 0 300.424 0.725 10 0 DCAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000121856048 415820242 /nfs/dbraw/zinc/82/02/42/415820242.db2.gz BHAQWXZCTRSKAV-STQMWFEESA-N 1 0 321.425 0.680 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC000131273434 415927806 /nfs/dbraw/zinc/92/78/06/415927806.db2.gz MGLQFOHOTQJBME-CYBMUJFWSA-N 1 0 313.442 0.454 10 0 DCAERO C[NH+](C)Cc1ccnc(NC(=O)CNC(=O)c2cccnc2)c1 ZINC000124960259 415855852 /nfs/dbraw/zinc/85/58/52/415855852.db2.gz BSSUOSCJUBIDAZ-UHFFFAOYSA-N 1 0 313.361 0.907 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNc2cncc(OCCO)n2)CC1 ZINC000133154525 415940839 /nfs/dbraw/zinc/94/08/39/415940839.db2.gz OZUINUKJDDUYFW-CYBMUJFWSA-N 1 0 309.414 0.286 10 0 DCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCN1CCCC1=O ZINC000154919329 415991985 /nfs/dbraw/zinc/99/19/85/415991985.db2.gz DCPMCNYCVKIDKD-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173823103 416066238 /nfs/dbraw/zinc/06/62/38/416066238.db2.gz WKIQJSZOYNDWOJ-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@@H]1CN(C(=O)CN2CC[C@H](N3CCOCC3)C2)C[C@@H](C)O1 ZINC000173952895 416069145 /nfs/dbraw/zinc/06/91/45/416069145.db2.gz HCYBYQOTTWKONW-KFWWJZLASA-N 1 0 311.426 0.029 10 0 DCAERO CN(C[C@H]1CCCO1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000356973874 416014325 /nfs/dbraw/zinc/01/43/25/416014325.db2.gz GWRPDESETTWMMX-JALIKCBVSA-N 1 0 323.437 0.755 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CCN(c2cccnn2)CC1 ZINC000170649397 416027174 /nfs/dbraw/zinc/02/71/74/416027174.db2.gz HBIUPKRCBUOHDD-CQSZACIVSA-N 1 0 321.425 0.530 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000175166873 416100002 /nfs/dbraw/zinc/10/00/02/416100002.db2.gz PLMAPJRYVCHHLY-STQMWFEESA-N 1 0 314.430 0.298 10 0 DCAERO CN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000313382226 416107407 /nfs/dbraw/zinc/10/74/07/416107407.db2.gz RHDGTEWJSNZIAZ-GFCCVEGCSA-N 1 0 302.371 0.576 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175766738 416111599 /nfs/dbraw/zinc/11/15/99/416111599.db2.gz 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ZINC000177418088 416145654 /nfs/dbraw/zinc/14/56/54/416145654.db2.gz HKXAHRCPVOYGHA-JTQLQIEISA-N 1 0 324.347 0.791 10 0 DCAERO CC[C@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC[N@@H+]1CCOC ZINC000329053109 416146112 /nfs/dbraw/zinc/14/61/12/416146112.db2.gz XAGMXLGQMGGANF-STQMWFEESA-N 1 0 321.425 0.479 10 0 DCAERO O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCC[NH2+]1 ZINC000178736567 416170810 /nfs/dbraw/zinc/17/08/10/416170810.db2.gz GOOBPQHQWRTVDQ-LBPRGKRZSA-N 1 0 301.350 0.932 10 0 DCAERO CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000329589585 416178809 /nfs/dbraw/zinc/17/88/09/416178809.db2.gz ZLJBDCDCJKRPKV-HZSPNIEDSA-N 1 0 309.410 0.176 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000178961771 416179084 /nfs/dbraw/zinc/17/90/84/416179084.db2.gz DSNIRSBURNQFBC-PWSUYJOCSA-N 1 0 311.407 0.533 10 0 DCAERO CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000179114629 416182449 /nfs/dbraw/zinc/18/24/49/416182449.db2.gz SNQVCPFZVHXTPD-AWEZNQCLSA-N 1 0 303.410 0.267 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000179167226 416182553 /nfs/dbraw/zinc/18/25/53/416182553.db2.gz FNUDDXUKDRQWPV-TZMCWYRMSA-N 1 0 319.409 0.610 10 0 DCAERO Nc1nc(-n2cccn2)cc(N2CCN(c3cccnn3)CC2)[nH+]1 ZINC000179903997 416193858 /nfs/dbraw/zinc/19/38/58/416193858.db2.gz UYMSVSZBPHSARE-UHFFFAOYSA-N 1 0 323.364 0.361 10 0 DCAERO Cc1cc(N2CCC[C@H](NC3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000182356880 416219385 /nfs/dbraw/zinc/21/93/85/416219385.db2.gz BIOFFVIBNXSHEO-AWEZNQCLSA-N 1 0 305.426 0.908 10 0 DCAERO CCc1cc(C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc(=O)[nH]1 ZINC000182352263 416219553 /nfs/dbraw/zinc/21/95/53/416219553.db2.gz NULUMCJGSBIAED-AWEZNQCLSA-N 1 0 307.394 0.466 10 0 DCAERO COCc1nc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000182442540 416222579 /nfs/dbraw/zinc/22/25/79/416222579.db2.gz OQUKTYARBHWEDA-LBPRGKRZSA-N 1 0 312.414 0.741 10 0 DCAERO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1=O ZINC000182777423 416230690 /nfs/dbraw/zinc/23/06/90/416230690.db2.gz ZVLFHHKZIGRRDD-UKRRQHHQSA-N 1 0 315.377 0.143 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)C[C@H](C)O1 ZINC000329280846 416161329 /nfs/dbraw/zinc/16/13/29/416161329.db2.gz DUOAHCVLCOXORT-TUAOUCFPSA-N 1 0 314.411 0.901 10 0 DCAERO Cc1noc(CN2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)n1 ZINC000358516927 416248852 /nfs/dbraw/zinc/24/88/52/416248852.db2.gz BTCHAPABHVFAEO-LLVKDONJSA-N 1 0 310.402 0.155 10 0 DCAERO CC(=O)N1CCCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358672830 416265530 /nfs/dbraw/zinc/26/55/30/416265530.db2.gz WVNKHJOUVNRHFV-UHFFFAOYSA-N 1 0 308.426 0.902 10 0 DCAERO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000358691044 416269252 /nfs/dbraw/zinc/26/92/52/416269252.db2.gz YXKHAHLGLIINQP-JTQLQIEISA-N 1 0 310.398 0.163 10 0 DCAERO Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)ccc1F ZINC000190027177 416274637 /nfs/dbraw/zinc/27/46/37/416274637.db2.gz CPIRHWYEZWUWDI-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000193685748 416319032 /nfs/dbraw/zinc/31/90/32/416319032.db2.gz KSRBXLQGFKFAMO-OLZOCXBDSA-N 1 0 317.455 0.401 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC000247391866 416332859 /nfs/dbraw/zinc/33/28/59/416332859.db2.gz QMKHVYBKIXVZLU-UPJWGTAASA-N 1 0 319.471 0.790 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)CCO1 ZINC000248671073 416333996 /nfs/dbraw/zinc/33/39/96/416333996.db2.gz DUZFXKFUABFNOE-UKRRQHHQSA-N 1 0 323.437 0.757 10 0 DCAERO COCCN(CCOC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262423230 416336811 /nfs/dbraw/zinc/33/68/11/416336811.db2.gz FFDMIGDHRDZVOQ-XJKCOSOUSA-N 1 0 314.426 0.640 10 0 DCAERO Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000264824048 416339734 /nfs/dbraw/zinc/33/97/34/416339734.db2.gz GPWQNKWDGHKZCU-JTQLQIEISA-N 1 0 318.381 0.047 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000359579092 416351254 /nfs/dbraw/zinc/35/12/54/416351254.db2.gz DPOVPPGNCZYYAL-INIZCTEOSA-N 1 0 323.437 0.568 10 0 DCAERO [NH3+]CCCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000237814155 416328819 /nfs/dbraw/zinc/32/88/19/416328819.db2.gz BJHQJKFISHRFMB-UHFFFAOYSA-N 1 0 313.301 0.650 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCN1C(=O)NC(C)(C)C1=O ZINC000245414693 416331053 /nfs/dbraw/zinc/33/10/53/416331053.db2.gz COOKOONYHWOERB-OLZOCXBDSA-N 1 0 308.426 0.875 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246177434 416331657 /nfs/dbraw/zinc/33/16/57/416331657.db2.gz GSXNVTJWVHRBQC-KBPBESRZSA-N 1 0 301.456 0.438 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000359926010 416366698 /nfs/dbraw/zinc/36/66/98/416366698.db2.gz PEZZFCFZSJMIEL-LBPRGKRZSA-N 1 0 307.460 0.662 10 0 DCAERO Cc1c([C@H]2[C@H]([NH2+][C@H](C)Cn3cccn3)CC(=O)N2C)cnn1C ZINC000583623779 416480966 /nfs/dbraw/zinc/48/09/66/416480966.db2.gz RYPYHBMHQJOZBW-XFJVYGCCSA-N 1 0 316.409 0.875 10 0 DCAERO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COC[C@H]2CCCO2)C[C@H]1C ZINC000536560962 416543278 /nfs/dbraw/zinc/54/32/78/416543278.db2.gz GWERCFVVLAURJB-FXUDXRNXSA-N 1 0 300.443 0.957 10 0 DCAERO C[C@H](CNC(=O)NCc1ccn(C)n1)C[NH+]1CCN(C)CC1 ZINC000535022772 416513367 /nfs/dbraw/zinc/51/33/67/416513367.db2.gz VZRBQZYBDPAPPB-CYBMUJFWSA-N 1 0 308.430 0.103 10 0 DCAERO Cc1ncc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000438712548 416600765 /nfs/dbraw/zinc/60/07/65/416600765.db2.gz XERXHYCHEMITCW-UHFFFAOYSA-N 1 0 308.411 1.531 10 0 DCAERO C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000365345149 416602493 /nfs/dbraw/zinc/60/24/93/416602493.db2.gz QRHLBAIJRYPCPI-CQSZACIVSA-N 1 0 319.409 0.236 10 0 DCAERO C[C@H](C(=O)N(C)CCC[NH+](C)C)S(=O)(=O)C1CCOCC1 ZINC000538314691 416567340 /nfs/dbraw/zinc/56/73/40/416567340.db2.gz NQNMPYFEHAHYAD-GFCCVEGCSA-N 1 0 320.455 0.379 10 0 DCAERO CS[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1N(C)C ZINC000539482318 416579717 /nfs/dbraw/zinc/57/97/17/416579717.db2.gz DKOHLKJWAAPRPR-LJISPDSOSA-N 1 0 318.483 0.520 10 0 DCAERO C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000547691698 416682183 /nfs/dbraw/zinc/68/21/83/416682183.db2.gz NGPUPIFZLISNFK-YNEHKIRRSA-N 1 0 308.382 0.940 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000544463449 416655346 /nfs/dbraw/zinc/65/53/46/416655346.db2.gz HPZHAXKVEKGKPS-UHFFFAOYSA-N 1 0 317.433 0.965 10 0 DCAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000545383433 416674338 /nfs/dbraw/zinc/67/43/38/416674338.db2.gz MBQBILFJXWKDIY-DOTOQJQBSA-N 1 0 305.422 0.990 10 0 DCAERO CC(=O)[C@](C)(O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425530799 416713492 /nfs/dbraw/zinc/71/34/92/416713492.db2.gz BLTRSZCKOYERDN-QGZVFWFLSA-N 1 0 318.373 0.945 10 0 DCAERO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)N1CCSCC1 ZINC000442905161 416718849 /nfs/dbraw/zinc/71/88/49/416718849.db2.gz VHQMMYSNHJGFJE-AWEZNQCLSA-N 1 0 314.499 0.130 10 0 DCAERO c1nc2n(c1C[NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651967 416865322 /nfs/dbraw/zinc/86/53/22/416865322.db2.gz ZZCXIEQTNJEXMX-GFCCVEGCSA-N 1 0 324.392 0.636 10 0 DCAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000631961442 416836776 /nfs/dbraw/zinc/83/67/76/416836776.db2.gz PKDJHZDQFIADEN-LLVKDONJSA-N 1 0 324.468 0.097 10 0 DCAERO Cc1c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cnn1C ZINC000631977505 416846002 /nfs/dbraw/zinc/84/60/02/416846002.db2.gz RGJUFMYHPBEMSO-NSHDSACASA-N 1 0 300.428 0.785 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000369911995 416846401 /nfs/dbraw/zinc/84/64/01/416846401.db2.gz ZCYMCZGHWBILJM-HNNXBMFYSA-N 1 0 310.442 0.444 10 0 DCAERO Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000518348978 416848578 /nfs/dbraw/zinc/84/85/78/416848578.db2.gz JNHDAGRWKWHTLX-NWDGAFQWSA-N 1 0 300.355 0.495 10 0 DCAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000447347329 416990737 /nfs/dbraw/zinc/99/07/37/416990737.db2.gz KKMYSHOEVGMRRN-MJBXVCDLSA-N 1 0 302.415 0.389 10 0 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MPCHNJLUUGGNNO-YIYPIFLZSA-N 1 0 311.426 0.192 10 0 DCAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000408180519 417144992 /nfs/dbraw/zinc/14/49/92/417144992.db2.gz RQRLQNMFJIIWEL-ZIAGYGMSSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@@]1(C(N)=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000408326747 417153468 /nfs/dbraw/zinc/15/34/68/417153468.db2.gz PFVFVKDQGRYKPJ-CZUORRHYSA-N 1 0 309.410 0.354 10 0 DCAERO CC(=O)c1cn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nn1 ZINC000450009328 417192088 /nfs/dbraw/zinc/19/20/88/417192088.db2.gz LKUPGPQPSJDJIP-KGLIPLIRSA-N 1 0 319.409 0.954 10 0 DCAERO O=C(CNC(=O)NC1CC([NH+]2CCCCC2)C1)N1CCCC1 ZINC000526973364 417195917 /nfs/dbraw/zinc/19/59/17/417195917.db2.gz LDYPJEPFDOQUSR-UHFFFAOYSA-N 1 0 308.426 0.925 10 0 DCAERO COC[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H](C)O1 ZINC000527123978 417213302 /nfs/dbraw/zinc/21/33/02/417213302.db2.gz BTELLARMPCWOFZ-BARDWOONSA-N 1 0 303.399 0.279 10 0 DCAERO O=C(NCc1n[nH]cc1Br)[C@H]1C[NH2+]CCOC1 ZINC000643681783 417298601 /nfs/dbraw/zinc/29/86/01/417298601.db2.gz CLYBGBVONAVKRV-ZETCQYMHSA-N 1 0 303.160 0.024 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)CC12COC2 ZINC000451137507 417306833 /nfs/dbraw/zinc/30/68/33/417306833.db2.gz PCCQCXCKSIHOTM-KBPBESRZSA-N 1 0 315.410 0.531 10 0 DCAERO Cc1nn(C)cc1CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000451795354 417400843 /nfs/dbraw/zinc/40/08/43/417400843.db2.gz IOMRSGJZSWZKKD-UHFFFAOYSA-N 1 0 309.458 0.613 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC12COC2 ZINC000452227912 417460751 /nfs/dbraw/zinc/46/07/51/417460751.db2.gz URDBEOHDBPAYDD-ZDUSSCGKSA-N 1 0 322.405 0.653 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000633658396 417472392 /nfs/dbraw/zinc/47/23/92/417472392.db2.gz VOLWUFLDEJOFQH-LSDHHAIUSA-N 1 0 311.426 0.567 10 0 DCAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000638682175 417535456 /nfs/dbraw/zinc/53/54/56/417535456.db2.gz SKXKJIOHMZFQAX-RVMXOQNASA-N 1 0 300.424 0.682 10 0 DCAERO O=C(CC[NH2+][C@H]1CCCS(=O)(=O)CC1)N1CCCCC1 ZINC000634954186 417549559 /nfs/dbraw/zinc/54/95/59/417549559.db2.gz WCNHMCBCJDVVAJ-ZDUSSCGKSA-N 1 0 302.440 0.946 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)C(=O)N(C)C ZINC000127789647 299060552 /nfs/dbraw/zinc/06/05/52/299060552.db2.gz SQGRJANRAKVUSR-MJBXVCDLSA-N 1 0 321.425 0.549 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957976 417651130 /nfs/dbraw/zinc/65/11/30/417651130.db2.gz UYAXSPLDWYYELK-BZOOQXSSSA-N 1 0 322.453 0.269 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)c2ccc3nnnn3c2)CC1 ZINC000532318746 417671266 /nfs/dbraw/zinc/67/12/66/417671266.db2.gz NBZVTFDDDIWENE-UHFFFAOYSA-N 1 0 302.382 0.976 10 0 DCAERO O=C(NCCN1CCSCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653110256 418028543 /nfs/dbraw/zinc/02/85/43/418028543.db2.gz AFEVBUDTYAYLPL-NXEZZACHSA-N 1 0 311.373 0.549 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NCc1cccc(OC)c1)C(C)C ZINC000183639493 261116631 /nfs/dbraw/zinc/11/66/31/261116631.db2.gz NKOBTTJWSIEATJ-HNNXBMFYSA-N 1 0 307.394 0.672 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187935384 261125129 /nfs/dbraw/zinc/12/51/29/261125129.db2.gz LRMQFFAPPSBQKU-BBRMVZONSA-N 1 0 314.426 0.929 10 0 DCAERO O=C(CN1CC[NH+](CC[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000188585067 261129986 /nfs/dbraw/zinc/12/99/86/261129986.db2.gz CRRKVVBSWQNGNZ-OAHLLOKOSA-N 1 0 311.426 0.032 10 0 DCAERO CCc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)n(C)n1 ZINC000189787428 261133564 /nfs/dbraw/zinc/13/35/64/261133564.db2.gz KBINYLIMSPTLFB-UHFFFAOYSA-N 1 0 305.382 0.228 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(C(N)=O)nc2)n1 ZINC000191547299 261137343 /nfs/dbraw/zinc/13/73/43/261137343.db2.gz DHJSDUFKKXFOBD-UHFFFAOYSA-N 1 0 317.353 0.583 10 0 DCAERO C[C@@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000358847397 261706088 /nfs/dbraw/zinc/70/60/88/261706088.db2.gz IXPNHRXRQJIBTL-UPJWGTAASA-N 1 0 313.442 0.308 10 0 DCAERO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](CO)C2CC2)CCSC1 ZINC000358891859 261710006 /nfs/dbraw/zinc/71/00/06/261710006.db2.gz YJPSDFVHRGWFRT-GXTWGEPZSA-N 1 0 301.456 0.741 10 0 DCAERO CC(=O)c1ncc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000413632103 262220420 /nfs/dbraw/zinc/22/04/20/262220420.db2.gz QRMRALCINXPPNK-NSHDSACASA-N 1 0 311.407 0.922 10 0 DCAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367489916 271209823 /nfs/dbraw/zinc/20/98/23/271209823.db2.gz QCWJGPYFGXIZKS-FOCJUVANSA-N 1 0 311.426 0.382 10 0 DCAERO CC[C@@H](C)NC(=O)CN1CCN(Cc2ccnc(C)n2)CC1 ZINC000507142038 272394421 /nfs/dbraw/zinc/39/44/21/272394421.db2.gz HLZLNRKNXWCARV-CYBMUJFWSA-N 1 0 305.426 0.817 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1cccnc1N1CCOCC1 ZINC000537215061 287864468 /nfs/dbraw/zinc/86/44/68/287864468.db2.gz NCKXPGNXRBPFSF-UHFFFAOYSA-N 1 0 306.410 0.942 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)N(C)CCC[NH+](C)C)n1cccn1 ZINC000538314276 287877503 /nfs/dbraw/zinc/87/75/03/287877503.db2.gz CBGYFBQJORSWKZ-CYBMUJFWSA-N 1 0 309.414 0.313 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC000538318220 287877506 /nfs/dbraw/zinc/87/75/06/287877506.db2.gz YXKFNAMNBIWHLF-UHFFFAOYSA-N 1 0 317.393 0.592 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178535362 277019910 /nfs/dbraw/zinc/01/99/10/277019910.db2.gz DWKOFMQWAJFITP-XJKSGUPXSA-N 1 0 301.390 0.767 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000247560198 277044015 /nfs/dbraw/zinc/04/40/15/277044015.db2.gz ZYUGBCSHPLEXQT-BMFZPTHFSA-N 1 0 322.453 0.282 10 0 DCAERO CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000187476732 277089217 /nfs/dbraw/zinc/08/92/17/277089217.db2.gz DMCDRDZPYAZZJY-OAHLLOKOSA-N 1 0 303.362 0.518 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])[C@@H]1O ZINC000071607091 277207816 /nfs/dbraw/zinc/20/78/16/277207816.db2.gz VBMBXQGSXMXDJC-GARJFASQSA-N 1 0 316.398 0.883 10 0 DCAERO C[NH2+]CCN(C)C(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000237265363 277269156 /nfs/dbraw/zinc/26/91/56/277269156.db2.gz RJFLGOSTRYHZGF-UHFFFAOYSA-N 1 0 307.398 0.379 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183859371 277321849 /nfs/dbraw/zinc/32/18/49/277321849.db2.gz NHLQRSOLKHKMHN-UHFFFAOYSA-N 1 0 320.393 0.273 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000408465598 277356928 /nfs/dbraw/zinc/35/69/28/277356928.db2.gz JAAMLNROEPPRME-RFQIPJPRSA-N 1 0 310.394 0.507 10 0 DCAERO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408289332 277983685 /nfs/dbraw/zinc/98/36/85/277983685.db2.gz FGYMODWWWDUWNL-KGLIPLIRSA-N 1 0 317.455 0.447 10 0 DCAERO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408289331 277983910 /nfs/dbraw/zinc/98/39/10/277983910.db2.gz FGYMODWWWDUWNL-KBPBESRZSA-N 1 0 317.455 0.447 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000407998346 278143104 /nfs/dbraw/zinc/14/31/04/278143104.db2.gz OTTSGVXVOZANHD-CQSZACIVSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000091587556 278263823 /nfs/dbraw/zinc/26/38/23/278263823.db2.gz XPIJMIRBEUIUIN-DLBZAZTESA-N 1 0 311.470 0.894 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NC2CCC(C(N)=O)CC2)CC1 ZINC000547296131 288035983 /nfs/dbraw/zinc/03/59/83/288035983.db2.gz CYSQJPNTBXVFOQ-UHFFFAOYSA-N 1 0 308.426 0.982 10 0 DCAERO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000547732665 288073537 /nfs/dbraw/zinc/07/35/37/288073537.db2.gz RHUZZEPEGBYSBV-SUMWQHHRSA-N 1 0 319.405 0.200 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000236785299 278840970 /nfs/dbraw/zinc/84/09/70/278840970.db2.gz PNAQDJCKWSJVIT-UKRRQHHQSA-N 1 0 304.394 0.717 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408053301 279036162 /nfs/dbraw/zinc/03/61/62/279036162.db2.gz OEBSDIDCJQHWPM-HOCLYGCPSA-N 1 0 311.426 0.160 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000548122807 288113894 /nfs/dbraw/zinc/11/38/94/288113894.db2.gz HCUWQAOBHAUCJY-RYUDHWBXSA-N 1 0 312.439 0.980 10 0 DCAERO O=C(NCCN1CC[NH2+]CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333470505 279842389 /nfs/dbraw/zinc/84/23/89/279842389.db2.gz ARUQUCXKIDTXQC-GDBMZVCRSA-N 1 0 310.442 0.228 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000176936648 280368751 /nfs/dbraw/zinc/36/87/51/280368751.db2.gz MAVVYYGMUHVZGR-BPLDGKMQSA-N 1 0 311.426 0.158 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000172363572 280867510 /nfs/dbraw/zinc/86/75/10/280867510.db2.gz ITQIGSWPMIVZLM-LBPRGKRZSA-N 1 0 322.409 0.404 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000564847592 288776690 /nfs/dbraw/zinc/77/66/90/288776690.db2.gz OHCHFPOXUQLSCO-SWLSCSKDSA-N 1 0 318.377 0.899 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000337155328 289318145 /nfs/dbraw/zinc/31/81/45/289318145.db2.gz OTKGQEHZTJKVNW-YZUGKSJVSA-N 1 0 322.409 0.354 10 0 DCAERO C[C@H]1CC2(CN1S(=O)(=O)[C@H]1CCCOC1)CC[NH2+]CC2 ZINC000333625129 290363654 /nfs/dbraw/zinc/36/36/54/290363654.db2.gz UXMRPGFBGGUBAH-STQMWFEESA-N 1 0 302.440 0.959 10 0 DCAERO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000364951091 295151570 /nfs/dbraw/zinc/15/15/70/295151570.db2.gz PYCYZJAKDKWFKK-NWDGAFQWSA-N 1 0 323.359 0.714 10 0 DCAERO [NH3+]C1(CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCCCC1 ZINC000333688947 295207932 /nfs/dbraw/zinc/20/79/32/295207932.db2.gz CITAHZSXLIYFCM-NWDGAFQWSA-N 1 0 308.386 0.179 10 0 DCAERO COc1ccccc1[C@@H]1C[NH2+]CCN1CCN1C(=O)CCC1=O ZINC000262124519 295393935 /nfs/dbraw/zinc/39/39/35/295393935.db2.gz CHRTXABCMNDGGF-AWEZNQCLSA-N 1 0 317.389 0.791 10 0 DCAERO COc1ncccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117030733 295466295 /nfs/dbraw/zinc/46/62/95/295466295.db2.gz PWRXDAIYLSBZIY-ZDUSSCGKSA-N 1 0 308.382 0.562 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000245472999 297097489 /nfs/dbraw/zinc/09/74/89/297097489.db2.gz 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ZINC000158281735 523708525 /nfs/dbraw/zinc/70/85/25/523708525.db2.gz FNXRAXDPTUXFKN-KFWWJZLASA-N 1 0 312.410 0.504 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000157295596 524009737 /nfs/dbraw/zinc/00/97/37/524009737.db2.gz WOINQCARUNRXPI-CZUORRHYSA-N 1 0 307.369 0.504 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246355760 525330754 /nfs/dbraw/zinc/33/07/54/525330754.db2.gz FVQLMOPZRWTBEH-BXUZGUMPSA-N 1 0 307.394 0.707 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249031963 525932292 /nfs/dbraw/zinc/93/22/92/525932292.db2.gz MCRGZIZMGWMFFV-VXGBXAGGSA-N 1 0 313.467 0.939 10 0 DCAERO CC(=O)N(C)CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000330954541 526464445 /nfs/dbraw/zinc/46/44/45/526464445.db2.gz AMYZJIRJOYEIPR-HNNXBMFYSA-N 1 0 311.426 0.568 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1)N1CCOCC1 ZINC000249258265 526468284 /nfs/dbraw/zinc/46/82/84/526468284.db2.gz HQBDZHQGSYQZSK-NEPJUHHUSA-N 1 0 324.343 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/nfs/dbraw/zinc/06/12/84/527061284.db2.gz GANIIJIAEJSSSI-ZUZCIYMTSA-N 1 0 322.434 0.840 10 0 DCAERO [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 ZINC000159001360 527204673 /nfs/dbraw/zinc/20/46/73/527204673.db2.gz LJLGRRKSIIGRRM-JKSUJKDBSA-N 1 0 315.417 0.931 10 0 DCAERO Cn1ccnc1CC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000105903610 527427547 /nfs/dbraw/zinc/42/75/47/527427547.db2.gz WDDCMACATUXSOL-INIZCTEOSA-N 1 0 322.453 0.368 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@H]1CC ZINC000177216682 528736532 /nfs/dbraw/zinc/73/65/32/528736532.db2.gz HSUOKCQFYMOTBP-CYBMUJFWSA-N 1 0 309.414 0.697 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000175334872 529099272 /nfs/dbraw/zinc/09/92/72/529099272.db2.gz JJALGZLKXSPWTH-NSHDSACASA-N 1 0 316.427 0.530 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC000284883727 536479639 /nfs/dbraw/zinc/47/96/39/536479639.db2.gz GBRPCSSNWMTNQL-ZIAGYGMSSA-N 1 0 303.362 0.331 10 0 DCAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)N1CCNC(=O)C1 ZINC000075831541 545675449 /nfs/dbraw/zinc/67/54/49/545675449.db2.gz QNNNIEFHOIWFQW-CQSZACIVSA-N 1 0 309.410 0.368 10 0 DCAERO COc1cc(C[NH2+]C[C@](C)(O)CO)cc(Br)c1O ZINC000090286900 545716305 /nfs/dbraw/zinc/71/63/05/545716305.db2.gz XRVFYQZHLMJQHM-LBPRGKRZSA-N 1 0 320.183 0.996 10 0 DCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000136400951 545806580 /nfs/dbraw/zinc/80/65/80/545806580.db2.gz VNGLBDJAOITOQH-NWDGAFQWSA-N 1 0 305.444 0.148 10 0 DCAERO C[N@H+](CCN1CCN(C(=O)CO)CC1)Cc1ccc(F)cc1 ZINC000181774095 545903971 /nfs/dbraw/zinc/90/39/71/545903971.db2.gz QKSXDGIJAOUBCJ-UHFFFAOYSA-N 1 0 309.385 0.394 10 0 DCAERO CCc1nnc(C2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)[nH]1 ZINC000190719947 545924548 /nfs/dbraw/zinc/92/45/48/545924548.db2.gz JGRBIRAVBJOOLI-ZDUSSCGKSA-N 1 0 321.425 0.530 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248838557 545970252 /nfs/dbraw/zinc/97/02/52/545970252.db2.gz 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CCc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262233341 545981216 /nfs/dbraw/zinc/98/12/16/545981216.db2.gz KKNFAKSYAJRYSU-GOEBONIOSA-N 1 0 304.390 0.908 10 0 DCAERO COc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262215391 545981255 /nfs/dbraw/zinc/98/12/55/545981255.db2.gz JAYFWWVSSFBGNX-OLZOCXBDSA-N 1 0 308.378 0.333 10 0 DCAERO Cc1noc(-c2ccccc2C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262264797 545982000 /nfs/dbraw/zinc/98/20/00/545982000.db2.gz MLYRNWWPZZEJDK-MFKMUULPSA-N 1 0 302.334 0.355 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cn2)n1 ZINC000262246715 545982059 /nfs/dbraw/zinc/98/20/59/545982059.db2.gz LHFCACIAEQJBPA-ZIAGYGMSSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cnn1-c1ccc(F)cc1 ZINC000262337457 545983554 /nfs/dbraw/zinc/98/35/54/545983554.db2.gz SSRJVYFDVBXIPQ-XHDPSFHLSA-N 1 0 318.352 0.630 10 0 DCAERO Cc1nc2cc(F)cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)c2nc1C ZINC000262340465 545983816 /nfs/dbraw/zinc/98/38/16/545983816.db2.gz SZSMDRDYUCTLEB-HZMBPMFUSA-N 1 0 318.352 0.696 10 0 DCAERO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262360567 545984279 /nfs/dbraw/zinc/98/42/79/545984279.db2.gz VDWHIJXXJRXPKE-BXUZGUMPSA-N 1 0 316.361 0.395 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1Br ZINC000262359207 545984323 /nfs/dbraw/zinc/98/43/23/545984323.db2.gz VAAAFGGIGDHOOT-HQJQHLMTSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000262375448 545984486 /nfs/dbraw/zinc/98/44/86/545984486.db2.gz WNFLIVRQKNPAEH-YGRLFVJLSA-N 1 0 304.325 0.322 10 0 DCAERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OCC ZINC000262357974 545984600 /nfs/dbraw/zinc/98/46/00/545984600.db2.gz UZFOAMTZUFFAHS-OLZOCXBDSA-N 1 0 308.378 0.794 10 0 DCAERO O=C(CCOc1ccc(F)cc1Cl)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262394283 545984968 /nfs/dbraw/zinc/98/49/68/545984968.db2.gz YDRVVKSKZOZREB-BXKDBHETSA-N 1 0 316.760 0.945 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2c(cc1F)NC(=O)CC2 ZINC000262378028 545985298 /nfs/dbraw/zinc/98/52/98/545985298.db2.gz MNXDSOHXRVZKLO-NOZJJQNGSA-N 1 0 307.325 0.021 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262384964 545985365 /nfs/dbraw/zinc/98/53/65/545985365.db2.gz XHFSJEQYJCHPIJ-GDBMZVCRSA-N 1 0 322.453 0.785 10 0 DCAERO O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262413299 545985380 /nfs/dbraw/zinc/98/53/80/545985380.db2.gz ZKAMKTSZKIWBPJ-DZGCQCFKSA-N 1 0 317.389 0.274 10 0 DCAERO O=C(CCOc1ccc(F)cc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262394294 545985632 /nfs/dbraw/zinc/98/56/32/545985632.db2.gz YDRVVKSKZOZREB-SKDRFNHKSA-N 1 0 316.760 0.945 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c([C@H]2CCC[NH2+]C2)n1 ZINC000333579127 546085832 /nfs/dbraw/zinc/08/58/32/546085832.db2.gz NPRHMNHUKLBJCR-SGMGOOAPSA-N 1 0 306.410 0.778 10 0 DCAERO O[C@]1(Cn2ccnn2)CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000671552833 547247952 /nfs/dbraw/zinc/24/79/52/547247952.db2.gz YWNVSXRIPAITLZ-QGZVFWFLSA-N 1 0 314.389 0.893 10 0 DCAERO CC(C)CNC(=O)NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675072529 547659089 /nfs/dbraw/zinc/65/90/89/547659089.db2.gz DLGWOCQPPPZROH-WCQYABFASA-N 1 0 303.428 0.108 10 0 DCAERO COC[C@H]([NH3+])c1cnnn1CCN1C(=O)c2ccccc2C1=O ZINC000675080168 547659237 /nfs/dbraw/zinc/65/92/37/547659237.db2.gz LVNCCWMQWZGMNV-LBPRGKRZSA-N 1 0 315.333 0.221 10 0 DCAERO CN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1c1ncc[nH]1 ZINC000681853926 548307137 /nfs/dbraw/zinc/30/71/37/548307137.db2.gz WEVOTJUGJGYDSO-ZDUSSCGKSA-N 1 0 306.414 0.502 10 0 DCAERO CC[NH2+][C@@H](C(N)=O)[C@@H](C)n1cc(I)cn1 ZINC000710700662 548748880 /nfs/dbraw/zinc/74/88/80/548748880.db2.gz FGEHSNOBKPVFHH-HTRCEHHLSA-N 1 0 322.150 0.512 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC000888094563 661161685 /nfs/dbraw/zinc/16/16/85/661161685.db2.gz BOGHCEWTUOLFQE-AVRGHOLYSA-N 1 0 311.426 0.061 10 0 DCAERO 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395889105 /nfs/dbraw/zinc/88/91/05/395889105.db2.gz UKXQNXOTILUUEO-UHFFFAOYSA-N 1 0 316.405 0.898 10 0 DCAERO [NH3+]CCNC(=O)c1ccc(I)c(O)c1 ZINC000236246600 395893476 /nfs/dbraw/zinc/89/34/76/395893476.db2.gz SUSRMUKPJNUKEJ-UHFFFAOYSA-N 1 0 306.103 0.685 10 0 DCAERO CCN(CCCNC(=O)C[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000054308303 395896612 /nfs/dbraw/zinc/89/66/12/395896612.db2.gz NWZZDECRLHYZEQ-GFCCVEGCSA-N 1 0 305.444 0.164 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000245468865 395929555 /nfs/dbraw/zinc/92/95/55/395929555.db2.gz LESBRCDEULKZHU-ZBFHGGJFSA-N 1 0 324.469 0.482 10 0 DCAERO Cn1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1=O ZINC000133773440 395929575 /nfs/dbraw/zinc/92/95/75/395929575.db2.gz PJXQJHLABOUFMY-AWEZNQCLSA-N 1 0 322.409 0.960 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000237135214 395903479 /nfs/dbraw/zinc/90/34/79/395903479.db2.gz NQJRWWICSSSQGR-NSHDSACASA-N 1 0 312.391 0.893 10 0 DCAERO 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/nfs/dbraw/zinc/96/55/63/395965563.db2.gz HYDUNRPTXGGZFS-STQMWFEESA-N 1 0 315.377 0.191 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(N)=O)cn1 ZINC000247054954 395965872 /nfs/dbraw/zinc/96/58/72/395965872.db2.gz WQBPLRGZXXORHH-STQMWFEESA-N 1 0 302.378 0.879 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1nc2ccccn2c1=O ZINC000247084950 395966096 /nfs/dbraw/zinc/96/60/96/395966096.db2.gz HYDUNRPTXGGZFS-OLZOCXBDSA-N 1 0 315.377 0.191 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000247214942 395969055 /nfs/dbraw/zinc/96/90/55/395969055.db2.gz MPJQJZPVJNCSEK-BPLDGKMQSA-N 1 0 316.405 0.687 10 0 DCAERO CCCO[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000247215939 395969312 /nfs/dbraw/zinc/96/93/12/395969312.db2.gz SDRQRANFYFLNIJ-CVEARBPZSA-N 1 0 300.443 0.961 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)c1ccccn1 ZINC000247241875 395969801 /nfs/dbraw/zinc/96/98/01/395969801.db2.gz DHXCENOIFCVSLO-GXTWGEPZSA-N 1 0 304.394 0.610 10 0 DCAERO 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/nfs/dbraw/zinc/99/36/57/395993657.db2.gz VPTGOPFNGZISJS-MJBXVCDLSA-N 1 0 302.440 0.959 10 0 DCAERO CN(CC[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000248682532 395994506 /nfs/dbraw/zinc/99/45/06/395994506.db2.gz GCSDBPGFQJRWSG-CYBMUJFWSA-N 1 0 303.472 0.684 10 0 DCAERO COCCOCCS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000151888171 395995684 /nfs/dbraw/zinc/99/56/84/395995684.db2.gz LRKPNQAROXRSAQ-UHFFFAOYSA-N 1 0 320.455 0.539 10 0 DCAERO CC(=O)NC1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000248784830 395997158 /nfs/dbraw/zinc/99/71/58/395997158.db2.gz CJAVTMPCLWLTBA-CVEARBPZSA-N 1 0 316.405 0.962 10 0 DCAERO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](CCO)C1)C(=O)OC ZINC000252888614 396025055 /nfs/dbraw/zinc/02/50/55/396025055.db2.gz BBZCUWSJWASTNP-OUCADQQQSA-N 1 0 300.399 0.395 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000253548995 396030630 /nfs/dbraw/zinc/03/06/30/396030630.db2.gz NDEDFHPKENRRLP-UTUOFQBUSA-N 1 0 308.382 0.060 10 0 DCAERO 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/nfs/dbraw/zinc/04/61/30/396046130.db2.gz VBMBXQGSXMXDJC-VWYCJHECSA-N 1 0 316.398 0.883 10 0 DCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261603860 396047834 /nfs/dbraw/zinc/04/78/34/396047834.db2.gz AINYKZSUOXAVOZ-ZIAGYGMSSA-N 1 0 311.426 0.504 10 0 DCAERO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCOCC1 ZINC000261602477 396048077 /nfs/dbraw/zinc/04/80/77/396048077.db2.gz ABOWOMPCTASMRJ-GJZGRUSLSA-N 1 0 323.437 0.505 10 0 DCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261603857 396048267 /nfs/dbraw/zinc/04/82/67/396048267.db2.gz AINYKZSUOXAVOZ-KBPBESRZSA-N 1 0 311.426 0.504 10 0 DCAERO Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261661117 396053167 /nfs/dbraw/zinc/05/31/67/396053167.db2.gz GHCVMERYAWRFJA-CQSZACIVSA-N 1 0 318.421 0.720 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2(CCO)CCCC2)cn1 ZINC000261857287 396072808 /nfs/dbraw/zinc/07/28/08/396072808.db2.gz BVKCOFJMHHFFJJ-CABCVRRESA-N 1 0 320.437 0.782 10 0 DCAERO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261674023 396055298 /nfs/dbraw/zinc/05/52/98/396055298.db2.gz HIFYBSPSHBCPKT-STQMWFEESA-N 1 0 314.349 0.336 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCC(=O)N1CCOCC1 ZINC000261739707 396061620 /nfs/dbraw/zinc/06/16/20/396061620.db2.gz ZLCGGUHCCFTVCE-HFZWIWRYSA-N 1 0 323.437 0.648 10 0 DCAERO NC(=O)C1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000261779098 396064859 /nfs/dbraw/zinc/06/48/59/396064859.db2.gz WUDYPBCGUQKDRQ-WDIPEOLASA-N 1 0 301.390 0.861 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCO1 ZINC000152217848 396003306 /nfs/dbraw/zinc/00/33/06/396003306.db2.gz SCZDAEMEWKMKMR-OAHLLOKOSA-N 1 0 315.377 0.670 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000249307781 396006005 /nfs/dbraw/zinc/00/60/05/396006005.db2.gz ULHFTZFPGBZFKW-STQMWFEESA-N 1 0 319.409 0.962 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000152410953 396009124 /nfs/dbraw/zinc/00/91/24/396009124.db2.gz SBXLDRQKPLVBII-ZIAGYGMSSA-N 1 0 323.441 0.526 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000249716043 396011972 /nfs/dbraw/zinc/01/19/72/396011972.db2.gz ILYBQDGWJQRQIK-GOSISDBHSA-N 1 0 319.449 0.892 10 0 DCAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000251725887 396017621 /nfs/dbraw/zinc/01/76/21/396017621.db2.gz QCVUHNMCFLGXDC-AVGNSLFASA-N 1 0 305.444 0.272 10 0 DCAERO CC[N@H+](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C1CC1 ZINC000152987323 396018999 /nfs/dbraw/zinc/01/89/99/396018999.db2.gz ZELJPWGMXSBLIF-CYBMUJFWSA-N 1 0 305.426 0.989 10 0 DCAERO [NH3+]C1(C(=O)NCc2nnc3ccccn32)Cc2ccccc2C1 ZINC000163672824 396086746 /nfs/dbraw/zinc/08/67/46/396086746.db2.gz JMBCXTBWGIKNJA-UHFFFAOYSA-N 1 0 307.357 0.842 10 0 DCAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cn2c(n1)CCCC2 ZINC000261979590 396086796 /nfs/dbraw/zinc/08/67/96/396086796.db2.gz CLMIVQAZOCDQEC-LBPRGKRZSA-N 1 0 312.439 0.887 10 0 DCAERO COC(=O)c1cn([C@@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984066 396087678 /nfs/dbraw/zinc/08/76/78/396087678.db2.gz JMMIQLFHQPPHFL-IUODEOHRSA-N 1 0 307.398 0.701 10 0 DCAERO CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000262029866 396091336 /nfs/dbraw/zinc/09/13/36/396091336.db2.gz YPBTXGOJQLDGKH-UHFFFAOYSA-N 1 0 324.812 0.642 10 0 DCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000170873711 396099393 /nfs/dbraw/zinc/09/93/93/396099393.db2.gz TZUGIIMFDNDTMB-LLVKDONJSA-N 1 0 312.391 0.782 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000170867506 396099404 /nfs/dbraw/zinc/09/94/04/396099404.db2.gz YAYXXZQDEHMETH-OLZOCXBDSA-N 1 0 305.378 0.791 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)COc2ccccc2)C1 ZINC000170859732 396099590 /nfs/dbraw/zinc/09/95/90/396099590.db2.gz FGTZZNHYGWQSFS-ZDUSSCGKSA-N 1 0 305.378 0.344 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1c(F)cccc1F ZINC000262126033 396100994 /nfs/dbraw/zinc/10/09/94/396100994.db2.gz LBRADOAPYQIMDD-UHFFFAOYSA-N 1 0 311.332 0.398 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262144214 396103367 /nfs/dbraw/zinc/10/33/67/396103367.db2.gz HHWRKGKPFCUWTA-CQSZACIVSA-N 1 0 305.426 0.562 10 0 DCAERO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262148617 396104482 /nfs/dbraw/zinc/10/44/82/396104482.db2.gz HQLPIYRKBZMCKB-VNHYZAJKSA-N 1 0 317.389 0.274 10 0 DCAERO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3C[NH2+]C3)C2)nc1 ZINC000262295065 396119875 /nfs/dbraw/zinc/11/98/75/396119875.db2.gz YHDHOJHGDOQEEF-LBPRGKRZSA-N 1 0 302.378 0.787 10 0 DCAERO C[C@H](C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309256 396121312 /nfs/dbraw/zinc/12/13/12/396121312.db2.gz CSGLETYRSARVAC-FQLMCAECSA-N 1 0 309.454 0.942 10 0 DCAERO [NH3+]C1(C(=O)NCc2ccccc2-n2cccn2)CCOCC1 ZINC000262313915 396122113 /nfs/dbraw/zinc/12/21/13/396122113.db2.gz QAJCBXMDQZUJDD-UHFFFAOYSA-N 1 0 300.362 0.996 10 0 DCAERO CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C)C[NH3+])C2)no1 ZINC000262330338 396125271 /nfs/dbraw/zinc/12/52/71/396125271.db2.gz GOABJLAOKPDTPX-NWDGAFQWSA-N 1 0 309.414 0.821 10 0 DCAERO C=CC(=O)NCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000171831361 396125980 /nfs/dbraw/zinc/12/59/80/396125980.db2.gz TWFYXWZCYKWHBA-UHFFFAOYSA-N 1 0 305.378 0.659 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000172058537 396128548 /nfs/dbraw/zinc/12/85/48/396128548.db2.gz IOFNCHHBTWEIHF-UPJWGTAASA-N 1 0 315.439 0.106 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000262372016 396131524 /nfs/dbraw/zinc/13/15/24/396131524.db2.gz WVFLWBNHCYFTAE-WFASDCNBSA-N 1 0 307.394 0.754 10 0 DCAERO CC(C)[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000262425401 396139131 /nfs/dbraw/zinc/13/91/31/396139131.db2.gz SEJUHQCTUKLCFA-DOMZBBRYSA-N 1 0 317.393 0.921 10 0 DCAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261892530 396076499 /nfs/dbraw/zinc/07/64/99/396076499.db2.gz VQGRNERGRFJVGS-MEBBXXQBSA-N 1 0 308.426 0.838 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@]2(C)CCCC[C@H]2O)cn1 ZINC000261900628 396077400 /nfs/dbraw/zinc/07/74/00/396077400.db2.gz AEZPFVLMYCZXHT-JYYAWHABSA-N 1 0 320.437 0.781 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1=O ZINC000261901951 396078030 /nfs/dbraw/zinc/07/80/30/396078030.db2.gz HUUQEHPNXLBPKA-RDGWLKQMSA-N 1 0 307.438 0.742 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000261944559 396082480 /nfs/dbraw/zinc/08/24/80/396082480.db2.gz VKFGJIHGKSLWEN-UMPJEAMMSA-N 1 0 323.437 0.646 10 0 DCAERO [NH3+]CC1(C(=O)NCCC(=O)NC2CCCCC2)CCOCC1 ZINC000261951124 396083470 /nfs/dbraw/zinc/08/34/70/396083470.db2.gz OGRGWCBWEKRLRV-UHFFFAOYSA-N 1 0 311.426 0.697 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(-n3cncn3)cc2)n1 ZINC000263191559 396205325 /nfs/dbraw/zinc/20/53/25/396205325.db2.gz HYGVHZKVXRYPDZ-ZDUSSCGKSA-N 1 0 311.349 0.893 10 0 DCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262564746 396156275 /nfs/dbraw/zinc/15/62/75/396156275.db2.gz WIWWPITYPJZXKC-DSZLRUIBSA-N 1 0 311.426 0.359 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCO1 ZINC000177679619 396181022 /nfs/dbraw/zinc/18/10/22/396181022.db2.gz IWPUQARFPSGBKB-CYBMUJFWSA-N 1 0 309.341 0.553 10 0 DCAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-n2cncn2)cc1 ZINC000177802514 396184085 /nfs/dbraw/zinc/18/40/85/396184085.db2.gz YBWMGVFYWRHDJT-NSHDSACASA-N 1 0 309.395 0.467 10 0 DCAERO CC[NH+](CC)[C@H]1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000076053394 396194819 /nfs/dbraw/zinc/19/48/19/396194819.db2.gz MUSKTPUYYIIGDR-KBPBESRZSA-N 1 0 310.442 0.126 10 0 DCAERO C[C@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)cn2)C[C@H](C)O1 ZINC000263305091 396212470 /nfs/dbraw/zinc/21/24/70/396212470.db2.gz OEGMJTMWPIWUKW-RYUDHWBXSA-N 1 0 304.394 0.531 10 0 DCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(Oc2cnccn2)cc1 ZINC000263300667 396212506 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CCOCC[N@@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@H]1CC ZINC000183620914 396272515 /nfs/dbraw/zinc/27/25/15/396272515.db2.gz YZAAXWHKGHNGHK-OAHLLOKOSA-N 1 0 308.426 0.922 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000183622495 396272554 /nfs/dbraw/zinc/27/25/54/396272554.db2.gz WZALUXQCLJHMBQ-RYUDHWBXSA-N 1 0 314.430 0.296 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(=O)NCC2CC2)[C@H](C)C1 ZINC000183785337 396274490 /nfs/dbraw/zinc/27/44/90/396274490.db2.gz AFYPVGXHMHROJK-OCCSQVGLSA-N 1 0 310.442 0.884 10 0 DCAERO O=C(CN1CCC(NC(=O)C2C[NH2+]C2)CC1)Nc1ccccc1 ZINC000263346777 396214853 /nfs/dbraw/zinc/21/48/53/396214853.db2.gz ZHQQILYDTFMVOI-UHFFFAOYSA-N 1 0 316.405 0.425 10 0 DCAERO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2cnn(C)c2)cc1 ZINC000077261928 396216278 /nfs/dbraw/zinc/21/62/78/396216278.db2.gz HBQCDFFKBUMKBJ-QBPKDAKJSA-N 1 0 317.389 0.796 10 0 DCAERO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179064027 396220301 /nfs/dbraw/zinc/22/03/01/396220301.db2.gz WZHHGOQFHBXGBX-GWCFXTLKSA-N 1 0 311.407 0.476 10 0 DCAERO Nc1ncnc2c1ncn2CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000264439786 396280396 /nfs/dbraw/zinc/28/03/96/396280396.db2.gz QFMCKFRCIRAWLI-NSHDSACASA-N 1 0 315.381 0.105 10 0 DCAERO COc1ncnc(N(C)C)c1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179136233 396222023 /nfs/dbraw/zinc/22/20/23/396222023.db2.gz UEKCAUHHCHNQNX-LLVKDONJSA-N 1 0 320.397 0.863 10 0 DCAERO Cn1cc(-c2cc(CN3CCO[C@H](C[NH+](C)C)C3)on2)cn1 ZINC000185000185 396313126 /nfs/dbraw/zinc/31/31/26/396313126.db2.gz ONGXFQXCIFEOMG-CQSZACIVSA-N 1 0 305.382 0.838 10 0 DCAERO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000184989797 396313551 /nfs/dbraw/zinc/31/35/51/396313551.db2.gz DSBVIVLRDDCNNY-HUUCEWRRSA-N 1 0 319.405 0.122 10 0 DCAERO CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000184319365 396290361 /nfs/dbraw/zinc/29/03/61/396290361.db2.gz YQOHVBHCVZVWPK-QWHCGFSZSA-N 1 0 313.442 0.907 10 0 DCAERO C[C@H]1OCC[C@H]1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000184428366 396295063 /nfs/dbraw/zinc/29/50/63/396295063.db2.gz OSUBPNXFGOZOBB-ZIAGYGMSSA-N 1 0 319.471 0.063 10 0 DCAERO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184718167 396302092 /nfs/dbraw/zinc/30/20/92/396302092.db2.gz NWAKWKFAKAWZBK-OLZOCXBDSA-N 1 0 308.378 0.841 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000185597577 396331369 /nfs/dbraw/zinc/33/13/69/396331369.db2.gz RDUAKUDOPXPKHQ-YPMHNXCESA-N 1 0 312.414 0.016 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[NH+](C[C@H](O)CC)CC1 ZINC000186221833 396345575 /nfs/dbraw/zinc/34/55/75/396345575.db2.gz LYIQVSGXLMBXBA-CQSZACIVSA-N 1 0 324.425 0.485 10 0 DCAERO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000187385346 396368762 /nfs/dbraw/zinc/36/87/62/396368762.db2.gz JUWRHMNBESRIPD-NSHDSACASA-N 1 0 309.341 0.935 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)[C@@H](C)C1 ZINC000187529951 396370291 /nfs/dbraw/zinc/37/02/91/396370291.db2.gz GNJLALPAJNRIKL-FZMZJTMJSA-N 1 0 308.426 0.635 10 0 DCAERO Cc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000187713673 396372918 /nfs/dbraw/zinc/37/29/18/396372918.db2.gz ZGALZDQYCCATAI-CVEARBPZSA-N 1 0 308.422 0.733 10 0 DCAERO CCOC(=O)c1nn(C)cc1CNC[C@H]1CCC[N@@H+]1CCOC ZINC000186335123 396348148 /nfs/dbraw/zinc/34/81/48/396348148.db2.gz QHONMGJNAMCYBU-CQSZACIVSA-N 1 0 324.425 0.797 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC[NH2+]1 ZINC000188437903 396382266 /nfs/dbraw/zinc/38/22/66/396382266.db2.gz QVHKEHIMEGBIPH-GDBMZVCRSA-N 1 0 315.417 0.898 10 0 DCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000188801140 396386620 /nfs/dbraw/zinc/38/66/20/396386620.db2.gz RVLKXDBWUUGAEN-LLVKDONJSA-N 1 0 301.354 0.541 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188778796 396386657 /nfs/dbraw/zinc/38/66/57/396386657.db2.gz XOGFZVDUNVYGPN-UHFFFAOYSA-N 1 0 302.382 0.838 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189798069 396399644 /nfs/dbraw/zinc/39/96/44/396399644.db2.gz SOLFVLPQKYUUAA-UHFFFAOYSA-N 1 0 324.429 0.128 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000190211209 396402976 /nfs/dbraw/zinc/40/29/76/396402976.db2.gz OZSYEDYOSGFNKZ-GFCCVEGCSA-N 1 0 308.426 0.638 10 0 DCAERO CCc1nnc(C2CC[NH+](CCCS(N)(=O)=O)CC2)[nH]1 ZINC000190655281 396409890 /nfs/dbraw/zinc/40/98/90/396409890.db2.gz FMNXGQJTRLKQQL-UHFFFAOYSA-N 1 0 301.416 0.225 10 0 DCAERO COC(=O)CCCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190719086 396410797 /nfs/dbraw/zinc/41/07/97/396410797.db2.gz WYSLVLVZOKAIAW-CYBMUJFWSA-N 1 0 318.439 0.830 10 0 DCAERO CCN1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000191893593 396426346 /nfs/dbraw/zinc/42/63/46/396426346.db2.gz GWVASISDWRHDHZ-CHWSQXEVSA-N 1 0 312.414 0.317 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372221587 396497794 /nfs/dbraw/zinc/49/77/94/396497794.db2.gz JUXYUXSMWATCMB-AGIUHOORSA-N 1 0 303.428 0.168 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000193273177 396447520 /nfs/dbraw/zinc/44/75/20/396447520.db2.gz JXPDTZZCNSQMGD-UHFFFAOYSA-N 1 0 308.354 0.521 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000193314503 396448909 /nfs/dbraw/zinc/44/89/09/396448909.db2.gz UAGZGSNGRGEIBB-CYBMUJFWSA-N 1 0 311.407 0.404 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(CCOC)CC1 ZINC000193444276 396451290 /nfs/dbraw/zinc/45/12/90/396451290.db2.gz GQTYBOCYPFTVLW-AWEZNQCLSA-N 1 0 300.447 0.690 10 0 DCAERO CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000371647322 396473195 /nfs/dbraw/zinc/47/31/95/396473195.db2.gz RPIWSVXAWZRSTA-NWDGAFQWSA-N 1 0 315.439 0.087 10 0 DCAERO Cc1noc([C@]2(O)CCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000372868977 396551112 /nfs/dbraw/zinc/55/11/12/396551112.db2.gz LXMRRIYFQVAOLR-HNNXBMFYSA-N 1 0 308.382 0.530 10 0 DCAERO CCOC(=O)C1(COC)CCN(Cc2nnc(C)n2C)CC1 ZINC000373803413 396615096 /nfs/dbraw/zinc/61/50/96/396615096.db2.gz DEQCIETURUOTGR-UHFFFAOYSA-N 1 0 310.398 0.915 10 0 DCAERO COc1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)ccc1F ZINC000374086189 396638131 /nfs/dbraw/zinc/63/81/31/396638131.db2.gz GVAJVMXSUXJBHB-VIFPVBQESA-N 1 0 304.343 0.183 10 0 DCAERO CCOC(=O)C1(C(=O)N2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000586749117 396662296 /nfs/dbraw/zinc/66/22/96/396662296.db2.gz BRFGUQLLGPKJBB-UHFFFAOYSA-N 1 0 324.421 0.901 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000300157134 396714830 /nfs/dbraw/zinc/71/48/30/396714830.db2.gz BOSRUZAMQIEYGD-QJPTWQEYSA-N 1 0 304.412 0.294 10 0 DCAERO O=c1n2ccccc2nn1CC[N@@H+](CCO)Cc1ccccc1 ZINC000302932062 396724157 /nfs/dbraw/zinc/72/41/57/396724157.db2.gz JGTRTXRTWPMGAM-UHFFFAOYSA-N 1 0 312.373 0.991 10 0 DCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCN2CCOC[C@H]2C)C1 ZINC000375612206 396781027 /nfs/dbraw/zinc/78/10/27/396781027.db2.gz JJPKWXSFUPYJIA-KGLIPLIRSA-N 1 0 319.471 0.109 10 0 DCAERO COc1nc(N(C)CCOCC[NH3+])ncc1Br ZINC000305936219 396755000 /nfs/dbraw/zinc/75/50/00/396755000.db2.gz AIRKMZGZMXDTTQ-UHFFFAOYSA-N 1 0 305.176 0.659 10 0 DCAERO C[N@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312943468 396768193 /nfs/dbraw/zinc/76/81/93/396768193.db2.gz GSUVVPGOSDPJOW-ZIAGYGMSSA-N 1 0 304.456 0.893 10 0 DCAERO CC[NH+]1CCC(CNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000564688551 396856022 /nfs/dbraw/zinc/85/60/22/396856022.db2.gz JQWHWWDOLNOHER-HNNXBMFYSA-N 1 0 310.442 0.444 10 0 DCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)COc1ccccc1Cl ZINC000629611541 396810450 /nfs/dbraw/zinc/81/04/50/396810450.db2.gz ZZRAFRANQJLKSZ-RTXFEEFZSA-N 1 0 301.770 0.819 10 0 DCAERO COC(=O)[C@H](C)N(C[C@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC000564836039 396877620 /nfs/dbraw/zinc/87/76/20/396877620.db2.gz FXZZTYDPSUGBGQ-AEGPPILISA-N 1 0 315.410 0.959 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000569886970 396921564 /nfs/dbraw/zinc/92/15/64/396921564.db2.gz MWMSBJQATZWZAF-DFBGVHRSSA-N 1 0 321.421 0.223 10 0 DCAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC(CO)C1 ZINC000571494371 396956005 /nfs/dbraw/zinc/95/60/05/396956005.db2.gz GLFDWEICMQQBPW-UHFFFAOYSA-N 1 0 304.394 0.932 10 0 DCAERO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc2c1OCO2 ZINC000591716727 396988903 /nfs/dbraw/zinc/98/89/03/396988903.db2.gz MQPPAETYELZDFB-UHFFFAOYSA-N 1 0 312.391 0.931 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@](C)(C[NH3+])C1 ZINC000630360480 396994127 /nfs/dbraw/zinc/99/41/27/396994127.db2.gz GEAOCMKQOOBGGS-KCJUWKMLSA-N 1 0 322.818 0.200 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCC(C)CC2)[C@](C)(C[NH3+])C1 ZINC000630359352 396994212 /nfs/dbraw/zinc/99/42/12/396994212.db2.gz CMNKHEIGQUAGKR-STQMWFEESA-N 1 0 305.444 0.401 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630363679 396995014 /nfs/dbraw/zinc/99/50/14/396995014.db2.gz QDPNEFDUNRRZTJ-DGCLKSJQSA-N 1 0 302.371 0.953 10 0 DCAERO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591911563 397033146 /nfs/dbraw/zinc/03/31/46/397033146.db2.gz XKOCGZDMOSUKNI-ZIAGYGMSSA-N 1 0 320.389 0.935 10 0 DCAERO 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ZINC000602439761 397401220 /nfs/dbraw/zinc/40/12/20/397401220.db2.gz KDPMCCFTEMCYTN-CQSZACIVSA-N 1 0 307.394 0.515 10 0 DCAERO CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000370324663 397469385 /nfs/dbraw/zinc/46/93/85/397469385.db2.gz JEDRBUTYZMIYQY-GJZGRUSLSA-N 1 0 322.453 0.284 10 0 DCAERO Cc1nnc(CN2CCN([C@H](C)C(=O)NCC(C)C)CC2)[nH]1 ZINC000605422319 397664591 /nfs/dbraw/zinc/66/45/91/397664591.db2.gz VLZQZBAKYHYVPD-GFCCVEGCSA-N 1 0 308.430 0.391 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)CN1CCO[C@H](C(F)(F)F)C1 ZINC000606936278 397691183 /nfs/dbraw/zinc/69/11/83/397691183.db2.gz IVCKCMGMQHZJIL-SRVKXCTJSA-N 1 0 313.316 0.806 10 0 DCAERO COC1CCN(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000408285807 292163978 /nfs/dbraw/zinc/16/39/78/292163978.db2.gz HTFFCSHGVBWHIX-CYBMUJFWSA-N 1 0 313.442 0.994 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000246721196 297097277 /nfs/dbraw/zinc/09/72/77/297097277.db2.gz LKMRANKISASUKB-MNOVXSKESA-N 1 0 303.428 0.009 10 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/nfs/dbraw/zinc/03/42/41/158034241.db2.gz MZCPAPCKJGRZKY-UHFFFAOYSA-N 1 0 305.378 0.589 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000070060461 158046739 /nfs/dbraw/zinc/04/67/39/158046739.db2.gz UTRBPDSVJXAKCO-VXGBXAGGSA-N 1 0 307.460 0.791 10 0 DCAERO O=C(NCCN1C(=O)CCC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000073219643 158055845 /nfs/dbraw/zinc/05/58/45/158055845.db2.gz AILCEQSRAHBGBF-UHFFFAOYSA-N 1 0 308.382 0.015 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000076488556 158064461 /nfs/dbraw/zinc/06/44/61/158064461.db2.gz OXYPRPAUXDHSHQ-OLZOCXBDSA-N 1 0 309.410 0.714 10 0 DCAERO NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085372814 158090734 /nfs/dbraw/zinc/09/07/34/158090734.db2.gz XBWOCRSFUMGDIF-OLZOCXBDSA-N 1 0 311.407 0.120 10 0 DCAERO COC(=O)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701120 158121088 /nfs/dbraw/zinc/12/10/88/158121088.db2.gz KEVNMGYPTWFQSP-GFCCVEGCSA-N 1 0 318.439 0.543 10 0 DCAERO 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DMIWHQKSCAIUHI-GFCCVEGCSA-N 1 0 300.403 0.004 10 0 DCAERO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000119175918 158183959 /nfs/dbraw/zinc/18/39/59/158183959.db2.gz ODZHVRUXGAFXOD-WCQYABFASA-N 1 0 320.393 0.014 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC000120512653 158198874 /nfs/dbraw/zinc/19/88/74/158198874.db2.gz FIVWXTZOQVKOSN-HNNXBMFYSA-N 1 0 324.469 0.387 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000123825058 158234570 /nfs/dbraw/zinc/23/45/70/158234570.db2.gz JVPATYZIVXZRSO-AWEZNQCLSA-N 1 0 306.410 0.533 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000131884855 158306668 /nfs/dbraw/zinc/30/66/68/158306668.db2.gz WHDAFEQXORPTMT-SNVBAGLBSA-N 1 0 316.379 0.571 10 0 DCAERO CN1N=C(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCC1=O ZINC000132199670 158309365 /nfs/dbraw/zinc/30/93/65/158309365.db2.gz OMEUHUONCFVBBG-AWEZNQCLSA-N 1 0 316.405 0.884 10 0 DCAERO C[C@@H]1C[NH+](CCCNc2cncc(OCCO)n2)C[C@@H](C)O1 ZINC000133068954 158316204 /nfs/dbraw/zinc/31/62/04/158316204.db2.gz RQDUCOYAXAITQN-CHWSQXEVSA-N 1 0 310.398 0.759 10 0 DCAERO CC(C)(O)CN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000135405108 158336386 /nfs/dbraw/zinc/33/63/86/158336386.db2.gz AAONHYKILWUEFO-LBPRGKRZSA-N 1 0 306.410 0.745 10 0 DCAERO CCN1CCO[C@@H](C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000136826496 158344454 /nfs/dbraw/zinc/34/44/54/158344454.db2.gz JNABYHIIGWWKHT-CHWSQXEVSA-N 1 0 321.425 0.553 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)no1 ZINC000168457687 158372197 /nfs/dbraw/zinc/37/21/97/158372197.db2.gz DSAOQGQCFXXMEX-OLZOCXBDSA-N 1 0 321.425 0.794 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170736653 158376197 /nfs/dbraw/zinc/37/61/97/158376197.db2.gz ASBBREIFUBOVHH-ZDUSSCGKSA-N 1 0 323.418 0.644 10 0 DCAERO C[C@H]1C[NH+](CC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C[C@H](C)O1 ZINC000170936675 158378051 /nfs/dbraw/zinc/37/80/51/158378051.db2.gz ONVYCMCCYPCTMW-KCQAQPDRSA-N 1 0 323.437 0.613 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000171600193 158384590 /nfs/dbraw/zinc/38/45/90/158384590.db2.gz KLGRNGPKNBEEIU-UHFFFAOYSA-N 1 0 307.398 0.650 10 0 DCAERO CNS(=O)(=O)c1ccc(N2CCC[N@@H+](C3CC3)CC2)nc1 ZINC000171831675 158387595 /nfs/dbraw/zinc/38/75/95/158387595.db2.gz KMQOQXZUPKKPPX-UHFFFAOYSA-N 1 0 310.423 0.664 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000172262628 158392651 /nfs/dbraw/zinc/39/26/51/158392651.db2.gz VZTLHFQTBINDQB-LSDHHAIUSA-N 1 0 324.469 0.975 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC3)CC2)C1 ZINC000172275945 158393166 /nfs/dbraw/zinc/39/31/66/158393166.db2.gz JQEBRBNSOZNMFX-HNNXBMFYSA-N 1 0 310.442 0.585 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[N@@H+](C3CC3)CC2)C1 ZINC000172540100 158395669 /nfs/dbraw/zinc/39/56/69/158395669.db2.gz CBGCLOZWYVGBDU-HNNXBMFYSA-N 1 0 322.453 0.284 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C(C)C)C1 ZINC000172595333 158397001 /nfs/dbraw/zinc/39/70/01/158397001.db2.gz FUTARDIPTRLPPH-KGLIPLIRSA-N 1 0 301.431 0.659 10 0 DCAERO O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177684118 158449545 /nfs/dbraw/zinc/44/95/45/158449545.db2.gz OKAYQPUUELXAPP-CYBMUJFWSA-N 1 0 313.361 0.808 10 0 DCAERO Cn1cc([C@@H]2CNCCN2C(=O)CCC2CC[NH2+]CC2)cn1 ZINC000181360573 158485207 /nfs/dbraw/zinc/48/52/07/158485207.db2.gz DAEQIINVKGTFFI-HNNXBMFYSA-N 1 0 305.426 0.673 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261950461 158757512 /nfs/dbraw/zinc/75/75/12/158757512.db2.gz WEXBQOKYXDVYDJ-DMVWFOPNSA-N 1 0 323.437 0.646 10 0 DCAERO CCN(c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cn1)C(C)C ZINC000262121217 158775011 /nfs/dbraw/zinc/77/50/11/158775011.db2.gz FWQMLWMDWPMNDL-KBPBESRZSA-N 1 0 306.410 0.626 10 0 DCAERO NC(=O)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCOCC1 ZINC000262438418 158813978 /nfs/dbraw/zinc/81/39/78/158813978.db2.gz MQNGMVRRMUVRAH-AVGNSLFASA-N 1 0 309.410 0.305 10 0 DCAERO COc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1-n1cnnn1 ZINC000262560029 158825047 /nfs/dbraw/zinc/82/50/47/158825047.db2.gz QNJOZNUJOLUUHA-SECBINFHSA-N 1 0 302.338 0.465 10 0 DCAERO Cn1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000262656901 158832220 /nfs/dbraw/zinc/83/22/20/158832220.db2.gz CVTJWWHWCMRAOJ-BPUTZDHNSA-N 1 0 317.437 0.989 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262712901 158835650 /nfs/dbraw/zinc/83/56/50/158835650.db2.gz FYFOJJSPZQQMJT-UPJWGTAASA-N 1 0 319.409 0.534 10 0 DCAERO CN1CCO[C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C[C@@H]21 ZINC000328812870 159031452 /nfs/dbraw/zinc/03/14/52/159031452.db2.gz BOGZCUGRARYSBR-HZSPNIEDSA-N 1 0 318.439 0.290 10 0 DCAERO CN(C(=O)[C@H]1COCCN1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286326 159079228 /nfs/dbraw/zinc/07/92/28/159079228.db2.gz MBVCHTUNDQUXMU-ZIAGYGMSSA-N 1 0 309.410 0.176 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000329303698 159081499 /nfs/dbraw/zinc/08/14/99/159081499.db2.gz XMVZZDABTZCVKH-ZNMIVQPWSA-N 1 0 323.437 0.567 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccon2)CC1 ZINC000329511289 159098133 /nfs/dbraw/zinc/09/81/33/159098133.db2.gz KKSZVPDSKIMZHE-OAHLLOKOSA-N 1 0 306.410 0.846 10 0 DCAERO C[C@@H]1OCCC[C@H]1c1nc(CC(=O)N2CCN(C)CC2)no1 ZINC000329674319 159110671 /nfs/dbraw/zinc/11/06/71/159110671.db2.gz OLZUPPFVCZTFHG-NWDGAFQWSA-N 1 0 308.382 0.669 10 0 DCAERO O=S(=O)(Cc1ccc(F)cc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366981895 159302593 /nfs/dbraw/zinc/30/25/93/159302593.db2.gz LQUUHOPMVRHFRT-OLZOCXBDSA-N 1 0 300.355 0.328 10 0 DCAERO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1nnc2n1CCCC2 ZINC000408034271 160017382 /nfs/dbraw/zinc/01/73/82/160017382.db2.gz DGNIVGAIEXRPFA-QWHCGFSZSA-N 1 0 318.425 0.182 10 0 DCAERO CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000408035286 160018332 /nfs/dbraw/zinc/01/83/32/160018332.db2.gz KZTHOLQOLSFPTA-IHRRRGAJSA-N 1 0 321.425 0.723 10 0 DCAERO 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321.425 0.843 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)Nc1cccnc1N1CCOCC1 ZINC000333202735 415584103 /nfs/dbraw/zinc/58/41/03/415584103.db2.gz YJICVJVDLILEKY-LBPRGKRZSA-N 1 0 305.382 0.744 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000111212875 415690293 /nfs/dbraw/zinc/69/02/93/415690293.db2.gz CQLFARHFHGJKES-CYBMUJFWSA-N 1 0 320.393 0.495 10 0 DCAERO CC[C@@H]1CN(CC(=O)NCc2cccnc2)CC[N@@H+]1CCOC ZINC000111228157 415694392 /nfs/dbraw/zinc/69/43/92/415694392.db2.gz RWYJQVCFRIVUMO-MRXNPFEDSA-N 1 0 320.437 0.740 10 0 DCAERO CC(=O)N1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113583149 415721729 /nfs/dbraw/zinc/72/17/29/415721729.db2.gz ZWMTWLSBUQSCHS-IUODEOHRSA-N 1 0 308.426 0.875 10 0 DCAERO Cn1nc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C1CC1 ZINC000289879788 415732197 /nfs/dbraw/zinc/73/21/97/415732197.db2.gz AMPYZUPDJOVYLN-LBPRGKRZSA-N 1 0 317.393 0.543 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3C[NH3+])C2)n(C)n1 ZINC000333637283 415700416 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416035078 /nfs/dbraw/zinc/03/50/78/416035078.db2.gz SFRWHXPXJFWBKR-NSHDSACASA-N 1 0 300.403 0.857 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000170867512 416036858 /nfs/dbraw/zinc/03/68/58/416036858.db2.gz YAYXXZQDEHMETH-STQMWFEESA-N 1 0 305.378 0.791 10 0 DCAERO CCOCCO[C@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174630340 416081794 /nfs/dbraw/zinc/08/17/94/416081794.db2.gz HLWWNFBGUVCWSA-RBSFLKMASA-N 1 0 316.442 0.732 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000174869419 416088294 /nfs/dbraw/zinc/08/82/94/416088294.db2.gz AMILQAXINLSALW-GZBFAFLISA-N 1 0 324.421 0.945 10 0 DCAERO C[C@@H](O)CC(C)(C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175004115 416094573 /nfs/dbraw/zinc/09/45/73/416094573.db2.gz WHJREHLKZWCQFW-CHWSQXEVSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@@H]1CN([C@@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000175053244 416095913 /nfs/dbraw/zinc/09/59/13/416095913.db2.gz KRHRGQHSPOMHQB-NEPJUHHUSA-N 1 0 313.423 0.801 10 0 DCAERO 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416189829 /nfs/dbraw/zinc/18/98/29/416189829.db2.gz MATWMXYHXVSSIW-ZFWWWQNUSA-N 1 0 302.378 0.573 10 0 DCAERO CCc1nn(C)c(OC)c1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179707187 416192198 /nfs/dbraw/zinc/19/21/98/416192198.db2.gz OXEOYDNCTGLOIO-GFCCVEGCSA-N 1 0 321.425 0.981 10 0 DCAERO Cc1cc(C)n(C[C@H]2CN([C@@H](C)CN3CCOCC3)CCO2)n1 ZINC000180478734 416198252 /nfs/dbraw/zinc/19/82/52/416198252.db2.gz HDZBVVHMWVMATN-DLBZAZTESA-N 1 0 322.453 0.921 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCNC[C@@H]2c2cnn(C)c2)CC1 ZINC000181443827 416207316 /nfs/dbraw/zinc/20/73/16/416207316.db2.gz CGUSRCCIGASAKH-OAHLLOKOSA-N 1 0 305.426 0.625 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2cn[nH]c2)C1 ZINC000358201182 416210274 /nfs/dbraw/zinc/21/02/74/416210274.db2.gz UAGUPNQURLNMSR-CQSZACIVSA-N 1 0 309.414 0.608 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N1CCOCC1 ZINC000181856220 416211317 /nfs/dbraw/zinc/21/13/17/416211317.db2.gz LBOIQBBEXHYQGS-ZIAGYGMSSA-N 1 0 324.425 0.113 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000358212186 416212174 /nfs/dbraw/zinc/21/21/74/416212174.db2.gz MBTMACDBOZJDFJ-HNNXBMFYSA-N 1 0 310.442 0.658 10 0 DCAERO COCc1noc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000182073180 416214552 /nfs/dbraw/zinc/21/45/52/416214552.db2.gz RFEUJGJDSZNKQX-LBPRGKRZSA-N 1 0 310.398 0.901 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000182360877 416219836 /nfs/dbraw/zinc/21/98/36/416219836.db2.gz FLUXGSHIGVHDFY-SMDDNHRTSA-N 1 0 309.414 0.786 10 0 DCAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000330654005 416224180 /nfs/dbraw/zinc/22/41/80/416224180.db2.gz OGPGZKBPGBPTJQ-GXFFZTMASA-N 1 0 311.407 0.605 10 0 DCAERO COC(=O)c1coc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000183635235 416248627 /nfs/dbraw/zinc/24/86/27/416248627.db2.gz SIUILCVPTAIAOB-LLVKDONJSA-N 1 0 309.366 0.432 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000185008489 416251534 /nfs/dbraw/zinc/25/15/34/416251534.db2.gz 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/nfs/dbraw/zinc/33/47/16/416334716.db2.gz OFLPPWOGJLNDNX-MJBXVCDLSA-N 1 0 308.426 0.862 10 0 DCAERO CC(C)C(=O)NCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262405807 416336774 /nfs/dbraw/zinc/33/67/74/416336774.db2.gz CSNKSOTZOKHGBZ-HWWQOWPSSA-N 1 0 311.426 0.407 10 0 DCAERO C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O ZINC000359342651 416342041 /nfs/dbraw/zinc/34/20/41/416342041.db2.gz OMLJCTXPOSTQDH-ZJUUUORDSA-N 1 0 320.436 0.418 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195067163 416325029 /nfs/dbraw/zinc/32/50/29/416325029.db2.gz WGWBYFGSMGPPMP-CHWSQXEVSA-N 1 0 315.439 0.107 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000238052002 416329772 /nfs/dbraw/zinc/32/97/72/416329772.db2.gz VFLNJQTXMJJIBL-CYBMUJFWSA-N 1 0 301.456 0.310 10 0 DCAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000359926009 416366819 /nfs/dbraw/zinc/36/68/19/416366819.db2.gz PEZZFCFZSJMIEL-GFCCVEGCSA-N 1 0 307.460 0.662 10 0 DCAERO COC(=O)C1([N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000532741091 416454041 /nfs/dbraw/zinc/45/40/41/416454041.db2.gz BWZIPKMTASJAJT-ZIAGYGMSSA-N 1 0 315.410 0.961 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2nocc2C)CC1 ZINC000435484954 416524050 /nfs/dbraw/zinc/52/40/50/416524050.db2.gz ZTMSTCJRGWVHCC-UHFFFAOYSA-N 1 0 322.409 1.502 10 0 DCAERO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1C ZINC000536560968 416542952 /nfs/dbraw/zinc/54/29/52/416542952.db2.gz GWERCFVVLAURJB-YHUYYLMFSA-N 1 0 300.443 0.957 10 0 DCAERO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C(N)=O ZINC000459475517 416544253 /nfs/dbraw/zinc/54/42/53/416544253.db2.gz FQRHTERUSDJXLM-OAHLLOKOSA-N 1 0 307.350 0.843 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000361825965 416505566 /nfs/dbraw/zinc/50/55/66/416505566.db2.gz PULYTHRBCVJKBG-NSHDSACASA-N 1 0 307.398 0.550 10 0 DCAERO CS[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1N(C)C ZINC000539482316 416580467 /nfs/dbraw/zinc/58/04/67/416580467.db2.gz DKOHLKJWAAPRPR-BYNSBNAKSA-N 1 0 318.483 0.520 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)COCCNC(=O)c1ccccc1 ZINC000544242194 416653244 /nfs/dbraw/zinc/65/32/44/416653244.db2.gz XUQVFMFLZCEBCJ-UHFFFAOYSA-N 1 0 321.421 0.843 10 0 DCAERO CC[NH+](CC)CCOCCNC(=O)c1cn2cccnc2n1 ZINC000544585958 416657996 /nfs/dbraw/zinc/65/79/96/416657996.db2.gz CNQWFWNREZYGHR-UHFFFAOYSA-N 1 0 305.382 0.818 10 0 DCAERO CC(C)[C@H](CNC(=O)N(C)CCCO)[NH+]1CCN(C)CC1 ZINC000442376486 416693613 /nfs/dbraw/zinc/69/36/13/416693613.db2.gz YNPAERQBLLFTMF-AWEZNQCLSA-N 1 0 300.447 0.282 10 0 DCAERO C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1(CO)CCOCC1 ZINC000558863294 416795504 /nfs/dbraw/zinc/79/55/04/416795504.db2.gz BZYNGBVVGDKUMF-KGLIPLIRSA-N 1 0 303.399 0.016 10 0 DCAERO CC(C)[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000631924536 416804407 /nfs/dbraw/zinc/80/44/07/416804407.db2.gz YAHUKTNWWNXLSI-RYUDHWBXSA-N 1 0 308.469 0.378 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](C2CCC2)C1 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CCC[N@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024947894 261103704 /nfs/dbraw/zinc/10/37/04/261103704.db2.gz HWSFGWYNEOYDIQ-LBPRGKRZSA-N 1 0 306.362 0.348 10 0 DCAERO CC[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1CC(F)F ZINC000179567118 261112868 /nfs/dbraw/zinc/11/28/68/261112868.db2.gz OFHZDABPDCXBEE-JTQLQIEISA-N 1 0 306.357 0.623 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000183974038 261117324 /nfs/dbraw/zinc/11/73/24/261117324.db2.gz LKRQJFKPRJOTIL-MRXNPFEDSA-N 1 0 321.421 0.684 10 0 DCAERO CCc1cc(NC(=O)C(=O)NCC[N@H+](CC)CCO)ccc1C ZINC000185603118 261120348 /nfs/dbraw/zinc/12/03/48/261120348.db2.gz QCUHJJODOWMQOM-UHFFFAOYSA-N 1 0 321.421 0.926 10 0 DCAERO CO[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[C@H]1C ZINC000187623604 261123977 /nfs/dbraw/zinc/12/39/77/261123977.db2.gz SHHLEVNJZAUXBD-QLFBSQMISA-N 1 0 312.458 0.689 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187952173 261125132 /nfs/dbraw/zinc/12/51/32/261125132.db2.gz 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0.620 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000408044697 278017936 /nfs/dbraw/zinc/01/79/36/278017936.db2.gz WEOXVOGZRSDMCM-INIZCTEOSA-N 1 0 311.426 0.160 10 0 DCAERO C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000246146069 278197849 /nfs/dbraw/zinc/19/78/49/278197849.db2.gz LGBKPLKGZZOAOI-NWDGAFQWSA-N 1 0 324.425 0.553 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccn(C)n1 ZINC000546733367 288029049 /nfs/dbraw/zinc/02/90/49/288029049.db2.gz TWEINQPOXCCBKV-ZDUSSCGKSA-N 1 0 308.430 0.245 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CCCCCC2=O)C[C@@H]1C ZINC000174284834 278397411 /nfs/dbraw/zinc/39/74/11/278397411.db2.gz KLKLZXXNJZSYNC-UONOGXRCSA-N 1 0 311.426 0.303 10 0 DCAERO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000547768584 288077212 /nfs/dbraw/zinc/07/72/12/288077212.db2.gz BNVGORKAOLZGKV-LRDDRELGSA-N 1 0 311.426 0.613 10 0 DCAERO CC(C)CN(C(=O)CN1CC(=O)NC1=O)C1CC[NH+](C)CC1 ZINC000134934968 278806636 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298138674 /nfs/dbraw/zinc/13/86/74/298138674.db2.gz RSWUQZQSXGHNDD-DMWHSAMPSA-N 1 0 321.465 0.724 10 0 DCAERO NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000368496323 303337922 /nfs/dbraw/zinc/33/79/22/303337922.db2.gz NQESJQYDSQBNQT-PBHICJAKSA-N 1 0 323.437 0.622 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000237952375 303472592 /nfs/dbraw/zinc/47/25/92/303472592.db2.gz VJBMNDFDDDZLQP-BFHYXJOUSA-N 1 0 309.410 0.354 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C[N@@H+]1C1CC1 ZINC000582810911 337183199 /nfs/dbraw/zinc/18/31/99/337183199.db2.gz YWRNWBLYQUYOFM-CHWSQXEVSA-N 1 0 321.421 0.367 10 0 DCAERO COc1ccc(OC)c2c1CC[C@@]([NH3+])(C(=O)C[S@](C)=O)C2 ZINC000584654516 337377684 /nfs/dbraw/zinc/37/76/84/337377684.db2.gz AYUBMZINGWBZIY-BTYIYWSLSA-N 1 0 311.403 0.838 10 0 DCAERO COc1ccccc1OCC[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299753767 534200248 /nfs/dbraw/zinc/20/02/48/534200248.db2.gz ZGOSNQLNOYPESW-OAHLLOKOSA-N 1 0 308.378 0.632 10 0 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/nfs/dbraw/zinc/71/39/91/545713991.db2.gz ICLAEGCBRJIFLR-AGIUHOORSA-N 1 0 317.455 0.292 10 0 DCAERO O=C(Cn1nnc2ccccc2c1=O)N1CCN(C2CC2)CC1 ZINC000124829340 545761764 /nfs/dbraw/zinc/76/17/64/545761764.db2.gz OTAKTLGPRXAQTN-UHFFFAOYSA-N 1 0 313.361 0.098 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCCCN1CCCC1=O ZINC000177763002 545893203 /nfs/dbraw/zinc/89/32/03/545893203.db2.gz XNDNUHPRUVLLMF-HNNXBMFYSA-N 1 0 322.453 0.285 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)[C@H]1c1cccnc1 ZINC000247114482 545967170 /nfs/dbraw/zinc/96/71/70/545967170.db2.gz LVXWXIGWHPJYPS-VNHYZAJKSA-N 1 0 302.378 0.469 10 0 DCAERO O=C(COc1cccc2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262086086 545978223 /nfs/dbraw/zinc/97/82/23/545978223.db2.gz CRQKNRDSSPIGIX-ZFWWWQNUSA-N 1 0 300.358 0.915 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccn1Cc1cccs1 ZINC000262092717 545978533 /nfs/dbraw/zinc/97/85/33/545978533.db2.gz DDLKZJCJEUCSSB-RISCZKNCSA-N 1 0 305.403 0.908 10 0 DCAERO 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/nfs/dbraw/zinc/98/34/48/545983448.db2.gz QUFFVWJAYHTYTN-GXTWGEPZSA-N 1 0 303.362 0.124 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Br)cs1 ZINC000262314921 545983743 /nfs/dbraw/zinc/98/37/43/545983743.db2.gz QTVZPRRTLYEOBP-SVRRBLITSA-N 1 0 305.197 0.821 10 0 DCAERO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262371182 545984579 /nfs/dbraw/zinc/98/45/79/545984579.db2.gz WBTSWDWNCPTOPQ-NHYWBVRUSA-N 1 0 303.337 0.992 10 0 DCAERO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c12 ZINC000262372642 545984682 /nfs/dbraw/zinc/98/46/82/545984682.db2.gz WHYVPDPRAHMPEC-GXFFZTMASA-N 1 0 318.377 0.965 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000262417602 545985029 /nfs/dbraw/zinc/98/50/29/545985029.db2.gz ZTTFOLQQFZHSSZ-MFKMUULPSA-N 1 0 304.325 0.526 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262382384 545985492 /nfs/dbraw/zinc/98/54/92/545985492.db2.gz XEMXEGOBVKFCAF-ZFWWWQNUSA-N 1 0 308.426 0.395 10 0 DCAERO Cc1nnc2n1C[C@@H](CNC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000332875626 546064176 /nfs/dbraw/zinc/06/41/76/546064176.db2.gz DCPKLUHJRQGNDH-ZIAGYGMSSA-N 1 0 318.425 0.639 10 0 DCAERO [NH3+]C[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCO1 ZINC000333768646 546091792 /nfs/dbraw/zinc/09/17/92/546091792.db2.gz DYCIGANTVJXOBM-ILXRZTDVSA-N 1 0 311.426 0.206 10 0 DCAERO Cc1ccc2[nH]c(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)nc2c1 ZINC000358697898 546193705 /nfs/dbraw/zinc/19/37/05/546193705.db2.gz CKTGGAGURBRUHT-INIZCTEOSA-N 1 0 317.393 0.737 10 0 DCAERO [NH3+]C1(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000398146315 546223907 /nfs/dbraw/zinc/22/39/07/546223907.db2.gz DDBXSLDNXBPXOR-HNNXBMFYSA-N 1 0 303.406 0.885 10 0 DCAERO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000671492574 547226113 /nfs/dbraw/zinc/22/61/13/547226113.db2.gz UIKHCNZENQREGQ-INIZCTEOSA-N 1 0 316.361 0.686 10 0 DCAERO CN1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051418 547658246 /nfs/dbraw/zinc/65/82/46/547658246.db2.gz 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ZINC000309533466 657917991 /nfs/dbraw/zinc/91/79/91/657917991.db2.gz DEJJVAORGBJPMY-INIZCTEOSA-N 1 0 323.462 0.886 10 0 DCAERO COC(=O)C1CN(c2noc(C[C@H]([NH3+])c3cccs3)n2)C1 ZINC000757127325 658271420 /nfs/dbraw/zinc/27/14/20/658271420.db2.gz YPKAIOOKVAQORT-VIFPVBQESA-N 1 0 308.363 0.983 10 0 DCAERO COCC[N@@H+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1C ZINC000246966776 658512647 /nfs/dbraw/zinc/51/26/47/658512647.db2.gz DPYNTGMTQXMFHY-WBMJQRKESA-N 1 0 324.425 0.317 10 0 DCAERO C#CCNC(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1 ZINC000075053075 658528757 /nfs/dbraw/zinc/52/87/57/658528757.db2.gz CTUNUENQQONDMF-UHFFFAOYSA-N 1 0 324.388 0.505 10 0 DCAERO CN1C[C@H](CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000723379125 658658594 /nfs/dbraw/zinc/65/85/94/658658594.db2.gz PNADVCUEGODUBF-AGIUHOORSA-N 1 0 302.440 0.800 10 0 DCAERO CCn1cc(CC[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000888077431 658720545 /nfs/dbraw/zinc/72/05/45/658720545.db2.gz BBOHREYVMJFQAE-INIZCTEOSA-N 1 0 318.425 0.644 10 0 DCAERO CO[C@@H]1C[N@H+](Cc2cnc(N(C)C)n2C)C[C@H]1c1cn(C)nn1 ZINC000888078502 658726137 /nfs/dbraw/zinc/72/61/37/658726137.db2.gz WXIPIWQBVINXFB-GXTWGEPZSA-N 1 0 319.413 0.229 10 0 DCAERO CCCCN(C(=O)[C@H]([NH3+])CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000052808435 658826753 /nfs/dbraw/zinc/82/67/53/658826753.db2.gz AWLMWTYPTNYJMA-NWDGAFQWSA-N 1 0 306.428 0.166 10 0 DCAERO O=S(=O)(NCCCOC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000722233728 659396420 /nfs/dbraw/zinc/39/64/20/659396420.db2.gz UUQDVRNWOWKSLY-STQMWFEESA-N 1 0 306.428 0.244 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000261702612 661459382 /nfs/dbraw/zinc/45/93/82/661459382.db2.gz JIMSLAZVYKHMKD-HNNXBMFYSA-N 1 0 304.438 0.528 10 0 DCAERO COCCCn1cccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c1=O ZINC000222579865 661622016 /nfs/dbraw/zinc/62/20/16/661622016.db2.gz SPCXKQCPVJIEGE-HNNXBMFYSA-N 1 0 319.405 0.709 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341203594 662180211 /nfs/dbraw/zinc/18/02/11/662180211.db2.gz SFIBERBBPNLBFL-KBPBESRZSA-N 1 0 311.451 0.995 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000262950614 662604456 /nfs/dbraw/zinc/60/44/56/662604456.db2.gz BVHQSTUROUFEMR-AWEZNQCLSA-N 1 0 323.368 0.651 10 0 DCAERO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915529 663114214 /nfs/dbraw/zinc/11/42/14/663114214.db2.gz POXCFEXHLUVBTE-STQMWFEESA-N 1 0 303.362 0.930 10 0 DCAERO [NH3+]CCCNS(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000183115013 665980207 /nfs/dbraw/zinc/98/02/07/665980207.db2.gz LYAUPJDKTXCOEI-UHFFFAOYSA-N 1 0 300.380 0.388 10 0 DCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1c1cn[nH]n1 ZINC000911355736 664035409 /nfs/dbraw/zinc/03/54/09/664035409.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 0 319.409 0.762 10 0 DCAERO Nc1ncc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000062984662 664625141 /nfs/dbraw/zinc/62/51/41/664625141.db2.gz KJVCLVJDKSNRJE-NSHDSACASA-N 1 0 311.411 0.308 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)nc1 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/nfs/dbraw/zinc/28/09/42/944280942.db2.gz OXLOPPKAEBWEKY-HZSPNIEDSA-N 1 0 302.440 0.674 10 0 DCAERO NC(=O)NCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081935220 192342474 /nfs/dbraw/zinc/34/24/74/192342474.db2.gz BNRUCHDTLGHUFW-UHFFFAOYSA-N 1 0 312.414 0.054 10 0 DCAERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000333481761 300379718 /nfs/dbraw/zinc/37/97/18/300379718.db2.gz BNBSLBXUFCPZCX-WRWGMCAJSA-N 1 0 303.428 0.188 10 0 DCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000116900171 297230364 /nfs/dbraw/zinc/23/03/64/297230364.db2.gz FKZSITURPNCAAM-MGPQQGTHSA-N 1 0 319.471 0.472 10 0 DCAERO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CC1(CO)CC1 ZINC000188952678 282271132 /nfs/dbraw/zinc/27/11/32/282271132.db2.gz PYQBHPYWDZWULG-UHFFFAOYSA-N 1 0 308.426 0.769 10 0 DCAERO O[C@@H](C[NH+]1CCN(c2cncc3ncnn32)CC1)c1ccccc1 ZINC000272808710 210210202 /nfs/dbraw/zinc/21/02/02/210210202.db2.gz GMENZESZJBKQOE-HNNXBMFYSA-N 1 0 324.388 0.980 10 0 DCAERO 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ZINC000080157538 192007014 /nfs/dbraw/zinc/00/70/14/192007014.db2.gz DWUOBHYCCCVZRW-QWRGUYRKSA-N 1 0 322.409 0.986 10 0 DCAERO CN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000081279273 192243888 /nfs/dbraw/zinc/24/38/88/192243888.db2.gz SGYUOHUFQSHQFH-HOTGVXAUSA-N 1 0 305.422 0.606 10 0 DCAERO CCC[NH2+]CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000236918946 202069836 /nfs/dbraw/zinc/06/98/36/202069836.db2.gz ITGFVFGDSHKQDA-UHFFFAOYSA-N 1 0 324.425 0.699 10 0 DCAERO CC[C@@H](CNC(=O)[C@H]1COCCN1)[N@@H+]1CCc2ccccc2C1 ZINC000236973568 202103735 /nfs/dbraw/zinc/10/37/35/202103735.db2.gz SAVBPUJLLZCNCZ-DLBZAZTESA-N 1 0 317.433 0.928 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-n2cnnn2)cc1 ZINC000180487371 199165213 /nfs/dbraw/zinc/16/52/13/199165213.db2.gz IPJIQZGJFVWABW-SWLSCSKDSA-N 1 0 302.382 0.644 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1=O ZINC000186832845 200018820 /nfs/dbraw/zinc/01/88/20/200018820.db2.gz XAVFZUMBUSHEAS-GHMZBOCLSA-N 1 0 310.398 0.211 10 0 DCAERO OCC[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000178391831 237228136 /nfs/dbraw/zinc/22/81/36/237228136.db2.gz XTRSITZOAAXCIB-SJLPKXTDSA-N 1 0 320.433 0.661 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCCN2CCOCC2)CC1 ZINC000154459520 291213839 /nfs/dbraw/zinc/21/38/39/291213839.db2.gz DEKQNRVCDMJKNI-UHFFFAOYSA-N 1 0 312.458 0.740 10 0 DCAERO COCCOCCS(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000156398623 291224565 /nfs/dbraw/zinc/22/45/65/291224565.db2.gz KFSGITGQXOQPRQ-UHFFFAOYSA-N 1 0 322.471 0.689 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CCOCC1 ZINC000246698577 238160384 /nfs/dbraw/zinc/16/03/84/238160384.db2.gz ZGLWLMUYLWCWPN-OCCSQVGLSA-N 1 0 302.440 0.911 10 0 DCAERO C[C@@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C)C(=O)N(C)C ZINC000368832493 296047497 /nfs/dbraw/zinc/04/74/97/296047497.db2.gz FGHLWZFSBDHORM-CHWSQXEVSA-N 1 0 311.426 0.470 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000245458875 284017218 /nfs/dbraw/zinc/01/72/18/284017218.db2.gz 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/nfs/dbraw/zinc/13/91/77/194139177.db2.gz HUXWONCMPGTJSV-GFCCVEGCSA-N 1 0 322.434 0.909 10 0 DCAERO COCC[N@@H+]1CCN(Cc2cc(=O)n3ccccc3n2)C[C@H]1C ZINC000105832746 194140533 /nfs/dbraw/zinc/14/05/33/194140533.db2.gz MBCAYXTUYDODBC-CQSZACIVSA-N 1 0 316.405 0.847 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000058942956 184132661 /nfs/dbraw/zinc/13/26/61/184132661.db2.gz SYHIDNZGJLIFTN-HOCLYGCPSA-N 1 0 324.469 0.387 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H]1[NH+](C)C ZINC000333455991 252725464 /nfs/dbraw/zinc/72/54/64/252725464.db2.gz ZOKOUBASSJHTGN-NGFQHRJXSA-N 1 0 321.425 0.842 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nncn2C)C1 ZINC000333615715 252743962 /nfs/dbraw/zinc/74/39/62/252743962.db2.gz SQSXNXMBKMZJHL-UPJWGTAASA-N 1 0 322.413 0.381 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)CCO2)cn1 ZINC000333808798 252766123 /nfs/dbraw/zinc/76/61/23/252766123.db2.gz IWXHFHMNJBRFHD-UONOGXRCSA-N 1 0 307.398 0.645 10 0 DCAERO 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396030707 /nfs/dbraw/zinc/03/07/07/396030707.db2.gz ALCJPLFCWCJDTJ-GJZGRUSLSA-N 1 0 307.394 0.684 10 0 DCAERO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C1CCOCC1 ZINC000261602475 396047931 /nfs/dbraw/zinc/04/79/31/396047931.db2.gz ABOWOMPCTASMRJ-CABCVRRESA-N 1 0 323.437 0.505 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1cnc2ccccc2c1=O ZINC000155335551 396049668 /nfs/dbraw/zinc/04/96/68/396049668.db2.gz JTFYVUMCJXXQNT-STQMWFEESA-N 1 0 314.389 0.948 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000155542470 396053998 /nfs/dbraw/zinc/05/39/98/396053998.db2.gz JDOLHOLHNZDUCW-HUUCEWRRSA-N 1 0 312.458 0.737 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000068486298 396057246 /nfs/dbraw/zinc/05/72/46/396057246.db2.gz HDCPZRYJRSEIPB-AWEZNQCLSA-N 1 0 319.405 0.978 10 0 DCAERO CC(C)CNC(=O)NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261715287 396059151 /nfs/dbraw/zinc/05/91/51/396059151.db2.gz HTEJMQNVESPQGP-UHFFFAOYSA-N 1 0 320.437 0.972 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)[C@@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261723944 396060036 /nfs/dbraw/zinc/06/00/36/396060036.db2.gz RJNRHKQENLCLOU-QLFBSQMISA-N 1 0 310.419 0.922 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261857430 396073261 /nfs/dbraw/zinc/07/32/61/396073261.db2.gz QVZZNDZXKCYYLP-UHFFFAOYSA-N 1 0 312.458 0.374 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@H](C)OC)C2)CC1 ZINC000249579782 396009920 /nfs/dbraw/zinc/00/99/20/396009920.db2.gz NCVUVCLCSOBLLL-KBPBESRZSA-N 1 0 319.471 0.063 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000252443599 396018813 /nfs/dbraw/zinc/01/88/13/396018813.db2.gz DAVSCISGOWAXQN-NEPJUHHUSA-N 1 0 300.366 0.362 10 0 DCAERO CCN1CCO[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261839866 396070967 /nfs/dbraw/zinc/07/09/67/396070967.db2.gz ZZXZSIHZQORQQH-MRXNPFEDSA-N 1 0 305.422 0.737 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000261838475 396071051 /nfs/dbraw/zinc/07/10/51/396071051.db2.gz ZTLITXDWBCKKSD-AWEZNQCLSA-N 1 0 310.419 0.451 10 0 DCAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261978390 396086579 /nfs/dbraw/zinc/08/65/79/396086579.db2.gz RJKSVRRVFLJDFB-MCIONIFRSA-N 1 0 316.467 0.558 10 0 DCAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000164742899 396087305 /nfs/dbraw/zinc/08/73/05/396087305.db2.gz BRQNPZDAMICCHS-WDEREUQCSA-N 1 0 312.391 0.877 10 0 DCAERO CS(=O)(=O)C1(C(=O)NCC2CCCCC2)CC[NH2+]CC1 ZINC000262039707 396092186 /nfs/dbraw/zinc/09/21/86/396092186.db2.gz GAXPOLCDOWLKBX-UHFFFAOYSA-N 1 0 302.440 0.850 10 0 DCAERO C[C@@]1(CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000262047076 396094118 /nfs/dbraw/zinc/09/41/18/396094118.db2.gz PTZKDCCMSIJHIO-MRXNPFEDSA-N 1 0 323.462 0.993 10 0 DCAERO CC[NH2+]CCNS(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000262087099 396097967 /nfs/dbraw/zinc/09/79/67/396097967.db2.gz RHASHWBWGRXPNB-UHFFFAOYSA-N 1 0 318.395 0.600 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830783 396098889 /nfs/dbraw/zinc/09/88/89/396098889.db2.gz RZGVFXDTCPXNJY-GFCCVEGCSA-N 1 0 320.459 0.004 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000170863430 396099453 /nfs/dbraw/zinc/09/94/53/396099453.db2.gz ZTKWOBILQOUCIV-NSHDSACASA-N 1 0 301.346 0.445 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000170874623 396099691 /nfs/dbraw/zinc/09/96/91/396099691.db2.gz YZLUVYBPCOOBQR-NSHDSACASA-N 1 0 312.395 0.653 10 0 DCAERO C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123779 396101440 /nfs/dbraw/zinc/10/14/40/396101440.db2.gz XMNKZQCCXQAECF-BBRMVZONSA-N 1 0 315.425 0.634 10 0 DCAERO COc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1OC ZINC000070460961 396101766 /nfs/dbraw/zinc/10/17/66/396101766.db2.gz WANBAUINRJHKHS-UHFFFAOYSA-N 1 0 303.366 0.690 10 0 DCAERO [NH3+]C[C@@H]1CC[C@@H](Cn2cc(I)cn2)O1 ZINC000070678960 396103362 /nfs/dbraw/zinc/10/33/62/396103362.db2.gz XDMZBJZXSYQSQQ-IUCAKERBSA-N 1 0 307.135 0.994 10 0 DCAERO [NH3+]C[C@H]1CC[C@H](Cn2cc(I)cn2)O1 ZINC000070678957 396103414 /nfs/dbraw/zinc/10/34/14/396103414.db2.gz XDMZBJZXSYQSQQ-RKDXNWHRSA-N 1 0 307.135 0.994 10 0 DCAERO COCC[N@H+](C)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000171204061 396111376 /nfs/dbraw/zinc/11/13/76/396111376.db2.gz ZIKOKQGCCLMLPY-UHFFFAOYSA-N 1 0 313.373 0.695 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262292007 396119146 /nfs/dbraw/zinc/11/91/46/396119146.db2.gz OUHROPWVMSUELU-ARFHVFGLSA-N 1 0 303.406 0.348 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000171731623 396123341 /nfs/dbraw/zinc/12/33/41/396123341.db2.gz LFQOQIWWURPIHQ-LLVKDONJSA-N 1 0 313.423 0.794 10 0 DCAERO O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262333292 396125582 /nfs/dbraw/zinc/12/55/82/396125582.db2.gz SLGLPENEHWAMLE-WDEREUQCSA-N 1 0 322.390 0.427 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000262330363 396125601 /nfs/dbraw/zinc/12/56/01/396125601.db2.gz GOLZRASKQLHIJB-OLZOCXBDSA-N 1 0 320.393 0.541 10 0 DCAERO O=C(NCc1nccn1CCc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262342414 396127318 /nfs/dbraw/zinc/12/73/18/396127318.db2.gz ALOAPKQYIDRJEJ-GJZGRUSLSA-N 1 0 314.389 0.465 10 0 DCAERO [NH3+]CC(=O)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000262377328 396132680 /nfs/dbraw/zinc/13/26/80/396132680.db2.gz JRXWAAXGODTDSV-NSHDSACASA-N 1 0 305.334 0.154 10 0 DCAERO O=C(CN1CC[C@@H](N2CCOCC2)C1)NC(=O)NC1CCCC1 ZINC000173985100 396137127 /nfs/dbraw/zinc/13/71/27/396137127.db2.gz PNANLTQWUBYJPC-CQSZACIVSA-N 1 0 324.425 0.161 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262430928 396139129 /nfs/dbraw/zinc/13/91/29/396139129.db2.gz FWDCDHRRGOPKRK-VXGBXAGGSA-N 1 0 324.402 0.703 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175394015 396140318 /nfs/dbraw/zinc/14/03/18/396140318.db2.gz YJMNHZUFUPYQQF-LBPRGKRZSA-N 1 0 306.428 0.686 10 0 DCAERO O=C(CN1CC[NH2+]C[C@@H]1c1cccnc1)NC1CCOCC1 ZINC000261879065 396075318 /nfs/dbraw/zinc/07/53/18/396075318.db2.gz YIOAQBMGPZZSSU-OAHLLOKOSA-N 1 0 304.394 0.323 10 0 DCAERO Cn1c2ccc(NC(=O)C3(C[NH3+])CCOCC3)cc2oc1=O ZINC000261900607 396077364 /nfs/dbraw/zinc/07/73/64/396077364.db2.gz HQXFEXYXFLCDAS-UHFFFAOYSA-N 1 0 305.334 0.826 10 0 DCAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)N1CCCC[C@H]1C ZINC000261900609 396077564 /nfs/dbraw/zinc/07/75/64/396077564.db2.gz WMFNXXGFTWGXJC-DYEKYZERSA-N 1 0 311.426 0.646 10 0 DCAERO COc1ccc(C(=O)NCCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261957258 396084451 /nfs/dbraw/zinc/08/44/51/396084451.db2.gz ZVEREHCISIHRRQ-UHFFFAOYSA-N 1 0 321.377 0.049 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000175979009 396147926 /nfs/dbraw/zinc/14/79/26/396147926.db2.gz XTBMEEGVMDVCHL-SNVBAGLBSA-N 1 0 315.395 0.272 10 0 DCAERO CN(Cc1cnn(C)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262532000 396151784 /nfs/dbraw/zinc/15/17/84/396151784.db2.gz PSFOCXSSFHXIJL-HEHGZKQESA-N 1 0 306.410 0.911 10 0 DCAERO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](O)CO)CC1 ZINC000178827748 396209920 /nfs/dbraw/zinc/20/99/20/396209920.db2.gz DOTMAHPQPADMAL-ZDUSSCGKSA-N 1 0 322.409 0.303 10 0 DCAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC(CO)CO ZINC000073903054 396153585 /nfs/dbraw/zinc/15/35/85/396153585.db2.gz IHWDGKOOIDVGJY-INIZCTEOSA-N 1 0 321.421 0.694 10 0 DCAERO COC[C@]1(C(=O)NC[C@@H]2COc3ccccc3O2)CC[NH2+]C1 ZINC000262566098 396156103 /nfs/dbraw/zinc/15/61/03/396156103.db2.gz WQEZHBPOUQULOA-WBMJQRKESA-N 1 0 306.362 0.569 10 0 DCAERO COC(=O)COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(C)c1 ZINC000262568628 396156905 /nfs/dbraw/zinc/15/69/05/396156905.db2.gz YMJNPRUEPNISHB-MFKMUULPSA-N 1 0 308.334 0.208 10 0 DCAERO CSCC[C@H](NC(N)=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262579681 396158224 /nfs/dbraw/zinc/15/82/24/396158224.db2.gz IIHCPSYPMUGJRL-MNOVXSKESA-N 1 0 304.460 0.608 10 0 DCAERO Cn1nc(CC(=O)N2CCC[C@H]2C[NH3+])c2ccccc2c1=O ZINC000262589205 396158956 /nfs/dbraw/zinc/15/89/56/396158956.db2.gz BYPYMWUHQRGCCM-NSHDSACASA-N 1 0 300.362 0.426 10 0 DCAERO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CCO2)cn1 ZINC000279255049 396161594 /nfs/dbraw/zinc/16/15/94/396161594.db2.gz UYRIZFBKMZTOSF-CABCVRRESA-N 1 0 304.394 0.947 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc[nH]c2=O)CC1 ZINC000176894618 396162436 /nfs/dbraw/zinc/16/24/36/396162436.db2.gz RPLGPIOEXWFKOK-LBPRGKRZSA-N 1 0 307.394 0.952 10 0 DCAERO CCOC(=O)C(NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(=O)OCC ZINC000262632954 396165279 /nfs/dbraw/zinc/16/52/79/396165279.db2.gz UVPHKHKDPNAIGK-UWVGGRQHSA-N 1 0 300.355 0.115 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Oc2cnccn2)cc1 ZINC000263300671 396212956 /nfs/dbraw/zinc/21/29/56/396212956.db2.gz WZQSMMOKMIRCFQ-ZFWWWQNUSA-N 1 0 300.362 0.939 10 0 DCAERO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263285499 396210908 /nfs/dbraw/zinc/21/09/08/396210908.db2.gz UZCXCUPYGSAVMU-RNFRBKRXSA-N 1 0 315.242 0.263 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)CSC[C@@H](O)CO)c1ccccc1 ZINC000177408609 396174081 /nfs/dbraw/zinc/17/40/81/396174081.db2.gz HDCCDEUBXPADBX-UONOGXRCSA-N 1 0 312.435 0.492 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCO1 ZINC000177675452 396181245 /nfs/dbraw/zinc/18/12/45/396181245.db2.gz LALASULOTVYBGZ-LLVKDONJSA-N 1 0 309.341 0.553 10 0 DCAERO C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177801439 396183556 /nfs/dbraw/zinc/18/35/56/396183556.db2.gz WPVGAQPJKXCSEW-NWDGAFQWSA-N 1 0 307.394 0.820 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262814076 396184463 /nfs/dbraw/zinc/18/44/63/396184463.db2.gz YXHPHDBYIAZCQP-WPRPVWTQSA-N 1 0 302.352 0.343 10 0 DCAERO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@@H]1CCNC1=O ZINC000279594172 396185418 /nfs/dbraw/zinc/18/54/18/396185418.db2.gz DTOBNQVYIWGFNB-RWMBFGLXSA-N 1 0 309.389 0.153 10 0 DCAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000177851320 396185995 /nfs/dbraw/zinc/18/59/95/396185995.db2.gz WYSKORCDPZCOQR-HUUCEWRRSA-N 1 0 312.458 0.690 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178602814 396200094 /nfs/dbraw/zinc/20/00/94/396200094.db2.gz FREADVHVZOTKJZ-AWEZNQCLSA-N 1 0 302.378 0.508 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(Cn2ccc(C(F)(F)F)n2)n1 ZINC000263171344 396204202 /nfs/dbraw/zinc/20/42/02/396204202.db2.gz FTVUPWGHECAERJ-QMMMGPOBSA-N 1 0 316.287 0.909 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCNC(=O)C2CCCCC2)n1 ZINC000263308734 396212696 /nfs/dbraw/zinc/21/26/96/396212696.db2.gz YGFNXGBPRKSJQG-CYBMUJFWSA-N 1 0 321.425 0.885 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000180833966 396235485 /nfs/dbraw/zinc/23/54/85/396235485.db2.gz ZHPUQGXVYBVVRA-JKSUJKDBSA-N 1 0 319.453 0.937 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2n[nH]nc21 ZINC000182721826 396253352 /nfs/dbraw/zinc/25/33/52/396253352.db2.gz JUNZJZNKFWPVSA-UHFFFAOYSA-N 1 0 303.366 0.800 10 0 DCAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183026230 396259231 /nfs/dbraw/zinc/25/92/31/396259231.db2.gz 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/nfs/dbraw/zinc/28/91/80/396289180.db2.gz JZGRRVJNAYYQRX-GFCCVEGCSA-N 1 0 323.422 0.927 10 0 DCAERO CCN(C)C(=O)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184547021 396298588 /nfs/dbraw/zinc/29/85/88/396298588.db2.gz VWZKZNLYNHNYRK-UHFFFAOYSA-N 1 0 319.409 0.042 10 0 DCAERO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184732688 396303645 /nfs/dbraw/zinc/30/36/45/396303645.db2.gz UAXMCEVMMBIKRS-RAIGVLPGSA-N 1 0 310.419 0.449 10 0 DCAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000185925621 396336918 /nfs/dbraw/zinc/33/69/18/396336918.db2.gz OYAIXYMPZPEIBA-OLZOCXBDSA-N 1 0 319.796 0.933 10 0 DCAERO COC(=O)c1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)ccc1OC ZINC000188371881 396381807 /nfs/dbraw/zinc/38/18/07/396381807.db2.gz LAZZKLCJBIFYBI-CMPLNLGQSA-N 1 0 310.325 0.798 10 0 DCAERO CN(C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccco1 ZINC000188836792 396386991 /nfs/dbraw/zinc/38/69/91/396386991.db2.gz VUXXPLJWQIVWSH-LBPRGKRZSA-N 1 0 303.366 0.681 10 0 DCAERO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000189204811 396392368 /nfs/dbraw/zinc/39/23/68/396392368.db2.gz AXRKENKUIPOZDI-CHWSQXEVSA-N 1 0 311.426 0.600 10 0 DCAERO CC(=O)NC1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000190151617 396402589 /nfs/dbraw/zinc/40/25/89/396402589.db2.gz LRJQEAWDIDSFLS-ZDUSSCGKSA-N 1 0 324.425 0.017 10 0 DCAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(N)(=O)=O)C1 ZINC000190624511 396408983 /nfs/dbraw/zinc/40/89/83/396408983.db2.gz ALDWILJJKFMPOM-SNVBAGLBSA-N 1 0 304.441 0.409 10 0 DCAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000191170801 396416770 /nfs/dbraw/zinc/41/67/70/396416770.db2.gz YFOBDCLYEBRBRK-IPYPFGDCSA-N 1 0 310.394 0.509 10 0 DCAERO CC[N@H+](CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000192830925 396438742 /nfs/dbraw/zinc/43/87/42/396438742.db2.gz GXQWNHWKJCWVLS-AWEZNQCLSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCSCC2)C[N@@H+]1C1CC1 ZINC000580977395 396516570 /nfs/dbraw/zinc/51/65/70/396516570.db2.gz RRIRALVPJBUHEI-VXGBXAGGSA-N 1 0 311.451 0.693 10 0 DCAERO Cc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC000580905589 396510106 /nfs/dbraw/zinc/51/01/06/396510106.db2.gz MWZPFVGFRZKYRO-HUUCEWRRSA-N 1 0 321.425 0.676 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000193265354 396447539 /nfs/dbraw/zinc/44/75/39/396447539.db2.gz RGPLBGIVDGUYCA-ZYHUDNBSSA-N 1 0 303.362 0.958 10 0 DCAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000193265370 396447564 /nfs/dbraw/zinc/44/75/64/396447564.db2.gz RGPLBGIVDGUYCA-JQWIXIFHSA-N 1 0 303.362 0.958 10 0 DCAERO CCNS(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000193435703 396451474 /nfs/dbraw/zinc/45/14/74/396451474.db2.gz LCWSFZQERNJTIY-MFKMUULPSA-N 1 0 319.377 0.854 10 0 DCAERO CCOc1ccncc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000289272363 396457926 /nfs/dbraw/zinc/45/79/26/396457926.db2.gz ZRMGUUVQSFPJIT-LBPRGKRZSA-N 1 0 311.407 0.949 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000528752159 396564130 /nfs/dbraw/zinc/56/41/30/396564130.db2.gz DUKKKSKZXJXAPY-AIUMHDJVSA-N 1 0 311.426 0.467 10 0 DCAERO CCOCC[C@@H](O)C[NH+]1CCC(N2CCN(CC)C2=O)CC1 ZINC000373133118 396569018 /nfs/dbraw/zinc/56/90/18/396569018.db2.gz ODLRGVOFQKRXKX-OAHLLOKOSA-N 1 0 313.442 0.996 10 0 DCAERO CC(=O)N1CCN([C@@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536956880 396609825 /nfs/dbraw/zinc/60/98/25/396609825.db2.gz ANMJQEQYHUIVMX-KBPBESRZSA-N 1 0 311.426 0.470 10 0 DCAERO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCc2nccn2C1 ZINC000328638158 396829102 /nfs/dbraw/zinc/82/91/02/396829102.db2.gz OZFLHCPAMQNMCH-HUUCEWRRSA-N 1 0 308.426 0.070 10 0 DCAERO Cc1cc(CC(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)[nH]n1 ZINC000328639073 396829285 /nfs/dbraw/zinc/82/92/85/396829285.db2.gz PKIMXKIVHBIAIO-HNNXBMFYSA-N 1 0 306.410 0.830 10 0 DCAERO CNS(=O)(=O)CCC[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328646103 396829626 /nfs/dbraw/zinc/82/96/26/396829626.db2.gz SJBREJGVTMWFKO-GFCCVEGCSA-N 1 0 300.428 0.317 10 0 DCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000611522354 396878169 /nfs/dbraw/zinc/87/81/69/396878169.db2.gz XGGXTXJIGVYOJB-CYBMUJFWSA-N 1 0 314.411 0.283 10 0 DCAERO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332828610 396895085 /nfs/dbraw/zinc/89/50/85/396895085.db2.gz BWFRSUOBHZGMBC-MYLLAERPSA-N 1 0 323.437 0.394 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630363147 396995120 /nfs/dbraw/zinc/99/51/20/396995120.db2.gz XXESGYMIAPBAGP-OLZOCXBDSA-N 1 0 307.460 0.791 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618679209 397011399 /nfs/dbraw/zinc/01/13/99/397011399.db2.gz CNNGREQXXYFPGL-CHWSQXEVSA-N 1 0 317.455 0.353 10 0 DCAERO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000572343759 397047418 /nfs/dbraw/zinc/04/74/18/397047418.db2.gz DUSLUYUJRFCVDZ-OWCLPIDISA-N 1 0 316.442 0.195 10 0 DCAERO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000364425729 397199342 /nfs/dbraw/zinc/19/93/42/397199342.db2.gz NVUOPDBVERZVDV-HUUCEWRRSA-N 1 0 306.410 0.558 10 0 DCAERO C[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)N(C)Cc1ccccc1 ZINC000390706983 397301577 /nfs/dbraw/zinc/30/15/77/397301577.db2.gz RMJBMFDAFWPQTJ-WMZOPIPTSA-N 1 0 321.465 0.790 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000408044764 397344721 /nfs/dbraw/zinc/34/47/21/397344721.db2.gz ORXDKSCWRFWRIH-MJBXVCDLSA-N 1 0 320.455 0.178 10 0 DCAERO CC(C)N1CCN(c2ccnc(N3CCOCC3)n2)CC1=O ZINC000577793698 397362221 /nfs/dbraw/zinc/36/22/21/397362221.db2.gz RZGBUWLFBYSCCL-UHFFFAOYSA-N 1 0 305.382 0.370 10 0 DCAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc2nnnn2c1 ZINC000577374525 397327440 /nfs/dbraw/zinc/32/74/40/397327440.db2.gz BVHOWCBCODIRQR-CQSZACIVSA-N 1 0 308.345 0.823 10 0 DCAERO C[C@@H](OCc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000404395420 397329599 /nfs/dbraw/zinc/32/95/99/397329599.db2.gz WEDSUKFGYSVROA-CYBMUJFWSA-N 1 0 305.378 0.140 10 0 DCAERO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCCO ZINC000578139614 397396181 /nfs/dbraw/zinc/39/61/81/397396181.db2.gz FACHHDNZXMFASN-UHFFFAOYSA-N 1 0 323.393 0.536 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000579700880 397588501 /nfs/dbraw/zinc/58/85/01/397588501.db2.gz OHJLGGSNMXBFKM-IUCAKERBSA-N 1 0 301.368 0.092 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)CN1CCO[C@@H](C(F)(F)F)C1 ZINC000606936277 397691355 /nfs/dbraw/zinc/69/13/55/397691355.db2.gz IVCKCMGMQHZJIL-SDDRHHMPSA-N 1 0 313.316 0.806 10 0 DCAERO Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)cc1 ZINC000263331010 292198198 /nfs/dbraw/zinc/19/81/98/292198198.db2.gz UWZNQMNXVIPLGQ-MRXNPFEDSA-N 1 0 303.406 0.704 10 0 DCAERO CCOCCOCC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000056972637 158024208 /nfs/dbraw/zinc/02/42/08/158024208.db2.gz OFBXSQFTELQOEJ-HNNXBMFYSA-N 1 0 315.458 0.428 10 0 DCAERO CCN(C)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000072709874 158052716 /nfs/dbraw/zinc/05/27/16/158052716.db2.gz RPLRAWOOKCNNBH-CQSZACIVSA-N 1 0 318.487 0.285 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000079490992 158078935 /nfs/dbraw/zinc/07/89/35/158078935.db2.gz DDMNHVXLYSCIFM-AWEZNQCLSA-N 1 0 314.430 0.265 10 0 DCAERO CCCS(=O)(=O)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715552 158082291 /nfs/dbraw/zinc/08/22/91/158082291.db2.gz GJYGIQFKTBSUPU-YHWZYXNKSA-N 1 0 302.440 0.943 10 0 DCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000081364395 158084779 /nfs/dbraw/zinc/08/47/79/158084779.db2.gz ZOQJTXHOQSBTBE-LBPRGKRZSA-N 1 0 324.425 0.507 10 0 DCAERO COCCCOC1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000091211915 158108235 /nfs/dbraw/zinc/10/82/35/158108235.db2.gz VLOCNWBCLZNJMY-ZDUSSCGKSA-N 1 0 311.426 0.918 10 0 DCAERO CCC[N@@H+](CC(=O)OCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701125 158120063 /nfs/dbraw/zinc/12/00/63/158120063.db2.gz JRBBJJRFENGTOX-ZDUSSCGKSA-N 1 0 320.455 0.933 10 0 DCAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000102190734 158126561 /nfs/dbraw/zinc/12/65/61/158126561.db2.gz AKYMVRHEWWDCKC-CQSZACIVSA-N 1 0 307.394 0.821 10 0 DCAERO O=C(CC[NH+]1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000105805641 158130342 /nfs/dbraw/zinc/13/03/42/158130342.db2.gz FDSQRRDQUKQDCM-UHFFFAOYSA-N 1 0 319.409 0.602 10 0 DCAERO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105903509 158132241 /nfs/dbraw/zinc/13/22/41/158132241.db2.gz QFPLLLKCWWBRAH-INIZCTEOSA-N 1 0 310.442 0.714 10 0 DCAERO CCS(=O)(=O)NCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000109327107 158137027 /nfs/dbraw/zinc/13/70/27/158137027.db2.gz LUSPOKGEHFYSRD-GFCCVEGCSA-N 1 0 316.427 0.572 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819018 158138900 /nfs/dbraw/zinc/13/89/00/158138900.db2.gz XXVPNVJAKDRKCB-AWEZNQCLSA-N 1 0 324.425 0.115 10 0 DCAERO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116467512 158166222 /nfs/dbraw/zinc/16/62/22/158166222.db2.gz FMYMAIQQLBZGDQ-WFASDCNBSA-N 1 0 304.394 0.544 10 0 DCAERO CC(C)c1noc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000116793630 158167750 /nfs/dbraw/zinc/16/77/50/158167750.db2.gz AGOSBOUFEMLUMJ-GFCCVEGCSA-N 1 0 310.398 0.915 10 0 DCAERO COc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000117028797 158169811 /nfs/dbraw/zinc/16/98/11/158169811.db2.gz BNIYOUWBBHHEKL-ZDUSSCGKSA-N 1 0 308.382 0.562 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@@H]1CC ZINC000117026534 158170582 /nfs/dbraw/zinc/17/05/82/158170582.db2.gz WQAUYHWXYNAKRN-ZDUSSCGKSA-N 1 0 314.430 0.217 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000120579041 158200701 /nfs/dbraw/zinc/20/07/01/158200701.db2.gz OSAROVCENALYQE-ZIAGYGMSSA-N 1 0 323.441 0.670 10 0 DCAERO NC(=O)N1CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000121086003 158206982 /nfs/dbraw/zinc/20/69/82/158206982.db2.gz GDTPJVWKENQLQO-ZDUSSCGKSA-N 1 0 308.426 0.864 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000121914128 158216739 /nfs/dbraw/zinc/21/67/39/158216739.db2.gz JVFTVCKVKOZVEK-VXGBXAGGSA-N 1 0 323.397 0.371 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCS(C)(=O)=O)[C@H](C)C1 ZINC000122257099 158219885 /nfs/dbraw/zinc/21/98/85/158219885.db2.gz JVHFZDSABQGMHP-CHWSQXEVSA-N 1 0 304.456 1.000 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000122956439 158224949 /nfs/dbraw/zinc/22/49/49/158224949.db2.gz DBVVCSZUYIEEBQ-IJLUTSLNSA-N 1 0 300.403 0.049 10 0 DCAERO C[C@@H]1CN(CC(=O)NC2CCCCCCC2)C[C@H](C(N)=O)O1 ZINC000122874408 158225325 /nfs/dbraw/zinc/22/53/25/158225325.db2.gz IQIZRWXZVHJNGG-TZMCWYRMSA-N 1 0 311.426 0.790 10 0 DCAERO C[C@H](CNC(=O)c1cc(C(N)=O)cn1C)C[NH+]1CCCCC1 ZINC000124241762 158239851 /nfs/dbraw/zinc/23/98/51/158239851.db2.gz DMKYYCIGWHFAFA-GFCCVEGCSA-N 1 0 306.410 0.976 10 0 DCAERO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000125955118 158261145 /nfs/dbraw/zinc/26/11/45/158261145.db2.gz ZPGWOSOMPIDWLB-GWCFXTLKSA-N 1 0 311.407 0.338 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000129843914 158291804 /nfs/dbraw/zinc/29/18/04/158291804.db2.gz PAUIVSCMNTZCJY-UONOGXRCSA-N 1 0 318.425 0.791 10 0 DCAERO C[C@@H]1C[NH2+]CCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000131227141 158300422 /nfs/dbraw/zinc/30/04/22/158300422.db2.gz GHPLXJPJXFEDFS-MRXNPFEDSA-N 1 0 316.449 0.625 10 0 DCAERO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000135757902 158340416 /nfs/dbraw/zinc/34/04/16/158340416.db2.gz FDVBWBIHKFZRMY-BFHYXJOUSA-N 1 0 302.440 0.911 10 0 DCAERO Cn1cc(CN2CCCN(C(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000136735179 158344446 /nfs/dbraw/zinc/34/44/46/158344446.db2.gz RXPIXUGLMXSFMO-UHFFFAOYSA-N 1 0 317.397 0.893 10 0 DCAERO Cc1noc([C@@H](C)N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)n1 ZINC000168114946 158371269 /nfs/dbraw/zinc/37/12/69/158371269.db2.gz RIECARPZCMTPBG-GFCCVEGCSA-N 1 0 321.425 0.973 10 0 DCAERO COCC[NH2+]CC(=O)NCCc1csc(N2CCCC2)n1 ZINC000168959579 158372516 /nfs/dbraw/zinc/37/25/16/158372516.db2.gz 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158610288 /nfs/dbraw/zinc/61/02/88/158610288.db2.gz HFRYIDYBZSYDSJ-NSHDSACASA-N 1 0 316.361 0.755 10 0 DCAERO [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CCOCC1 ZINC000261804835 158740830 /nfs/dbraw/zinc/74/08/30/158740830.db2.gz JBCRFIXRRBSVLR-CYBMUJFWSA-N 1 0 309.410 0.355 10 0 DCAERO [NH3+]CC1(C(=O)Nc2ccc(N3CCOCC3)nc2)CCOCC1 ZINC000261818946 158741987 /nfs/dbraw/zinc/74/19/87/158741987.db2.gz HDBKLYAPONHGPF-UHFFFAOYSA-N 1 0 320.393 0.612 10 0 DCAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000261894631 158751284 /nfs/dbraw/zinc/75/12/84/158751284.db2.gz VWHNDRNZHYEXKT-NCZKRNLISA-N 1 0 316.405 0.797 10 0 DCAERO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)C1CCOCC1 ZINC000261934188 158755474 /nfs/dbraw/zinc/75/54/74/158755474.db2.gz IWDRRRQHDKMFHA-GJZGRUSLSA-N 1 0 323.437 0.601 10 0 DCAERO Cc1csc(N2CCC(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)CC2)n1 ZINC000262082371 158771632 /nfs/dbraw/zinc/77/16/32/158771632.db2.gz CMYSMXIDEQRYBY-CHWSQXEVSA-N 1 0 324.450 0.364 10 0 DCAERO COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262530252 158821476 /nfs/dbraw/zinc/82/14/76/158821476.db2.gz PKBMKAGNCWQEKR-STQMWFEESA-N 1 0 323.368 0.206 10 0 DCAERO COc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1-n1nnnc1C ZINC000262579505 158827167 /nfs/dbraw/zinc/82/71/67/158827167.db2.gz UEUFTQJGRLDYQZ-SECBINFHSA-N 1 0 316.365 0.773 10 0 DCAERO COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000328749628 159026234 /nfs/dbraw/zinc/02/62/34/159026234.db2.gz MKFDCMKEJGFAIC-AWEZNQCLSA-N 1 0 319.405 0.813 10 0 DCAERO CS[C@@H]1CN(C(=O)c2c(C)nn(C)c2N)C[C@H]1[NH+]1CCCC1 ZINC000329091913 159061057 /nfs/dbraw/zinc/06/10/57/159061057.db2.gz JRQUSUCBLYEFCO-VXGBXAGGSA-N 1 0 323.466 0.963 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC000329205902 159073679 /nfs/dbraw/zinc/07/36/79/159073679.db2.gz XGCIALWGHIECSY-ZIAGYGMSSA-N 1 0 301.350 0.274 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CCCCC1 ZINC000329374587 159086456 /nfs/dbraw/zinc/08/64/56/159086456.db2.gz 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ZINC000408144262 160047709 /nfs/dbraw/zinc/04/77/09/160047709.db2.gz HYRRQTPYBXVIPI-LSDHHAIUSA-N 1 0 323.437 0.568 10 0 DCAERO CCC[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408234805 160065386 /nfs/dbraw/zinc/06/53/86/160065386.db2.gz FXMUJHQQYPWWRO-CHWSQXEVSA-N 1 0 319.471 0.804 10 0 DCAERO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000408308855 160082485 /nfs/dbraw/zinc/08/24/85/160082485.db2.gz WUQUGOPOQSHSNI-KBPBESRZSA-N 1 0 304.456 0.941 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000408363465 160092066 /nfs/dbraw/zinc/09/20/66/160092066.db2.gz XHHVVJJSNVUIHL-JHJVBQTASA-N 1 0 317.455 0.545 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)NC1CCCC1 ZINC000408379269 160095667 /nfs/dbraw/zinc/09/56/67/160095667.db2.gz JYEWWPQGZPBORZ-UHFFFAOYSA-N 1 0 318.487 0.333 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000408405749 160101808 /nfs/dbraw/zinc/10/18/08/160101808.db2.gz RWASQJZVSUPQAC-MCIONIFRSA-N 1 0 319.471 0.803 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408411792 160102773 /nfs/dbraw/zinc/10/27/73/160102773.db2.gz KWAAGTUPKNNEHU-UHFFFAOYSA-N 1 0 317.437 0.956 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[S@@](=O)C2)CC1 ZINC000408427577 160106181 /nfs/dbraw/zinc/10/61/81/160106181.db2.gz PNUBRHVVUFBJHG-AKIQGSOASA-N 1 0 301.456 0.927 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000079252227 286923842 /nfs/dbraw/zinc/92/38/42/286923842.db2.gz IPZOGTYZRXDITI-LSDHHAIUSA-N 1 0 314.474 0.983 10 0 DCAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCNS(=O)(=O)CC)C1 ZINC000132220610 287004222 /nfs/dbraw/zinc/00/42/22/287004222.db2.gz UYFGTTSXBFSFCB-ZDUSSCGKSA-N 1 0 319.471 0.697 10 0 DCAERO C[N@H+](CCCO)C1CCN(c2cncc(OCCO)n2)CC1 ZINC000132776995 287007130 /nfs/dbraw/zinc/00/71/30/287007130.db2.gz VKQZYUUPARQRQF-UHFFFAOYSA-N 1 0 310.398 0.131 10 0 DCAERO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)CC(C)C ZINC000152906657 287045068 /nfs/dbraw/zinc/04/50/68/287045068.db2.gz 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287084611 /nfs/dbraw/zinc/08/46/11/287084611.db2.gz YAAVBTZBPNMPCV-MGPQQGTHSA-N 1 0 319.471 0.757 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000246562037 287085476 /nfs/dbraw/zinc/08/54/76/287085476.db2.gz WUTDTMUYSVDZQZ-NWDGAFQWSA-N 1 0 306.428 0.541 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C2(C)CC2)CC1 ZINC000408460608 287086085 /nfs/dbraw/zinc/08/60/85/287086085.db2.gz PRTVJXNUSYNHNQ-GFCCVEGCSA-N 1 0 304.456 0.893 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C ZINC000246620859 287086245 /nfs/dbraw/zinc/08/62/45/287086245.db2.gz DDOPDIKRZLXHCO-OLZOCXBDSA-N 1 0 311.426 0.206 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247120885 287091366 /nfs/dbraw/zinc/09/13/66/287091366.db2.gz JRPQGSCXUCKQHN-QPSCCSFWSA-N 1 0 313.442 0.009 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000247279563 287092483 /nfs/dbraw/zinc/09/24/83/287092483.db2.gz DTFBILUSPATBOZ-JHJVBQTASA-N 1 0 312.414 0.193 10 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287113375 /nfs/dbraw/zinc/11/33/75/287113375.db2.gz FSJKFPWBIDBVTG-VXGBXAGGSA-N 1 0 311.407 0.602 10 0 DCAERO CC[C@H]1CN(C(=O)c2cccc3n[nH]nc32)CC[N@@H+]1C[C@H](C)O ZINC000249454922 287111235 /nfs/dbraw/zinc/11/12/35/287111235.db2.gz DFXGGWHCFUKJOR-RYUDHWBXSA-N 1 0 317.393 0.875 10 0 DCAERO Cc1ccc(OC[C@H](O)CN2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000249604459 287116088 /nfs/dbraw/zinc/11/60/88/287116088.db2.gz ZGALZDQYCCATAI-JKSUJKDBSA-N 1 0 308.422 0.733 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000262057442 287127889 /nfs/dbraw/zinc/12/78/89/287127889.db2.gz APWPDHNHZNYROP-UKRRQHHQSA-N 1 0 300.362 0.242 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000174902821 287220898 /nfs/dbraw/zinc/22/08/98/287220898.db2.gz OIVVMDQVUXHLPC-YNEHKIRRSA-N 1 0 317.455 0.688 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192023670 287225125 /nfs/dbraw/zinc/22/51/25/287225125.db2.gz YVOJDEPSOUQAGO-YNEHKIRRSA-N 1 0 317.455 0.352 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000248684958 287230925 /nfs/dbraw/zinc/23/09/25/287230925.db2.gz YVOJDEPSOUQAGO-XQQFMLRXSA-N 1 0 317.455 0.352 10 0 DCAERO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000268973519 415247869 /nfs/dbraw/zinc/24/78/69/415247869.db2.gz OENSDNUCOUYWNS-ILXRZTDVSA-N 1 0 322.430 0.778 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CCCS1(=O)=O ZINC000064254038 415349846 /nfs/dbraw/zinc/34/98/46/415349846.db2.gz FRRIVIFVDGGBRC-LBPRGKRZSA-N 1 0 320.459 0.051 10 0 DCAERO CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)S(C)(=O)=O ZINC000070130544 415406828 /nfs/dbraw/zinc/40/68/28/415406828.db2.gz JIYITSGAUZGUER-NEPJUHHUSA-N 1 0 302.440 0.800 10 0 DCAERO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C[NH3+])[C@@H]1O ZINC000071607083 415410814 /nfs/dbraw/zinc/41/08/14/415410814.db2.gz VBMBXQGSXMXDJC-GMTAPVOTSA-N 1 0 316.398 0.883 10 0 DCAERO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333024774 415534565 /nfs/dbraw/zinc/53/45/65/415534565.db2.gz KIVXJIAKAHYMLR-JJRVBVJISA-N 1 0 321.421 0.368 10 0 DCAERO CN(C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333133828 415567877 /nfs/dbraw/zinc/56/78/77/415567877.db2.gz CBEOMVRVSIYOGK-RDBSUJKOSA-N 1 0 311.426 0.842 10 0 DCAERO CN(CC1CC[NH+](C)CC1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000103453440 415618423 /nfs/dbraw/zinc/61/84/23/415618423.db2.gz BLQAXQVPAODOHD-UHFFFAOYSA-N 1 0 310.398 0.117 10 0 DCAERO CCc1ncc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000285823232 415621614 /nfs/dbraw/zinc/62/16/14/415621614.db2.gz FKJLIBOJYXGARF-CHWSQXEVSA-N 1 0 305.382 0.976 10 0 DCAERO COCCN(CC[NH+](C)C)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000104771960 415625741 /nfs/dbraw/zinc/62/57/41/415625741.db2.gz XRKSWHKRANPZIU-UHFFFAOYSA-N 1 0 318.377 0.573 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[NH+](CCCCCO)CC2)n1 ZINC000105919235 415635417 /nfs/dbraw/zinc/63/54/17/415635417.db2.gz XAMSNRXWTQBFGK-UHFFFAOYSA-N 1 0 318.425 0.956 10 0 DCAERO Cc1cccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000106538732 415643816 /nfs/dbraw/zinc/64/38/16/415643816.db2.gz SZPUFTGTEPNRSJ-AWEZNQCLSA-N 1 0 305.426 0.825 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000111212877 415691212 /nfs/dbraw/zinc/69/12/12/415691212.db2.gz CQLFARHFHGJKES-ZDUSSCGKSA-N 1 0 320.393 0.495 10 0 DCAERO Cn1ncc2c1nc(N1CCC([C@@H]3CCC[NH2+]3)CC1)nc2N ZINC000333584205 415691279 /nfs/dbraw/zinc/69/12/79/415691279.db2.gz UMMOTPDZOCROFH-LBPRGKRZSA-N 1 0 301.398 0.914 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000114975805 415725276 /nfs/dbraw/zinc/72/52/76/415725276.db2.gz VEDHMAIZADNSKS-STQMWFEESA-N 1 0 320.441 0.891 10 0 DCAERO COCC1(CNC(=O)N2CCN(C3CC3)CC2)CC[NH2+]CC1 ZINC000333734415 415725232 /nfs/dbraw/zinc/72/52/32/415725232.db2.gz WRHSBCXWSVQANV-UHFFFAOYSA-N 1 0 310.442 0.492 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCO1 ZINC000116790091 415729326 /nfs/dbraw/zinc/72/93/26/415729326.db2.gz FLJMEZCKXVDSLD-ZFWWWQNUSA-N 1 0 318.373 0.557 10 0 DCAERO Cn1nc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C1CC1 ZINC000289879783 415730456 /nfs/dbraw/zinc/73/04/56/415730456.db2.gz AMPYZUPDJOVYLN-GFCCVEGCSA-N 1 0 317.393 0.543 10 0 DCAERO CN(C(=O)N[C@@H]1CCN(c2ccccc2F)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333670914 415711724 /nfs/dbraw/zinc/71/17/24/415711724.db2.gz YGWVMUBAEXUGQZ-UGFHNGPFSA-N 1 0 322.384 0.379 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333678876 415712484 /nfs/dbraw/zinc/71/24/84/415712484.db2.gz OMAIXKLZVVTZRY-KBPBESRZSA-N 1 0 324.425 0.161 10 0 DCAERO CN([C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1C[NH2+]C[C@@H]1O ZINC000333867568 415755450 /nfs/dbraw/zinc/75/54/50/415755450.db2.gz RHRCYUHGEXVRBD-RDBSUJKOSA-N 1 0 309.797 0.710 10 0 DCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000334021032 415785336 /nfs/dbraw/zinc/78/53/36/415785336.db2.gz DAZZACBOWXMQHN-XGUBFFRZSA-N 1 0 311.426 0.772 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)C1 ZINC000334122893 415810552 /nfs/dbraw/zinc/81/05/52/415810552.db2.gz MTBOCMGKRGDXRM-CHWSQXEVSA-N 1 0 322.413 0.470 10 0 DCAERO O=C(NC[C@@H]1CNC(=O)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334133479 415812596 /nfs/dbraw/zinc/81/25/96/415812596.db2.gz WIXPTVDQBYTULJ-KBPBESRZSA-N 1 0 308.426 0.782 10 0 DCAERO O=C([C@@H]1C[C@@H](F)C[N@H+]1CC1CCOCC1)N1CCOCC1 ZINC000344541140 415943201 /nfs/dbraw/zinc/94/32/01/415943201.db2.gz UYCRINCEASWXQR-KGLIPLIRSA-N 1 0 300.374 0.684 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000134131247 415953508 /nfs/dbraw/zinc/95/35/08/415953508.db2.gz GGQGPUIMDDBRAO-JTQLQIEISA-N 1 0 317.411 0.648 10 0 DCAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000153295369 415978906 /nfs/dbraw/zinc/97/89/06/415978906.db2.gz ASTNGOQMOADEIS-ZDUSSCGKSA-N 1 0 305.378 0.419 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000155288455 415996685 /nfs/dbraw/zinc/99/66/85/415996685.db2.gz TXYZZVCVHKTTSE-NEPJUHHUSA-N 1 0 322.413 0.305 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000132657889 415935971 /nfs/dbraw/zinc/93/59/71/415935971.db2.gz GZBRYPPFKAJVRH-LBPRGKRZSA-N 1 0 319.409 0.062 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC2CCOCC2)CCO1 ZINC000173163990 416054142 /nfs/dbraw/zinc/05/41/42/416054142.db2.gz MLYONHXXWABDBP-ZDUSSCGKSA-N 1 0 306.428 0.005 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173884854 416068175 /nfs/dbraw/zinc/06/81/75/416068175.db2.gz MSTBYJRBLKSZJR-HOTGVXAUSA-N 1 0 324.469 0.834 10 0 DCAERO c1ccc(-n2nnnc2CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173946188 416069436 /nfs/dbraw/zinc/06/94/36/416069436.db2.gz FBNNPOZIZWELGZ-HNNXBMFYSA-N 1 0 314.393 0.569 10 0 DCAERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nc1 ZINC000301233141 416077206 /nfs/dbraw/zinc/07/72/06/416077206.db2.gz KHODXEWZXBKEBB-LBPRGKRZSA-N 1 0 310.423 0.664 10 0 DCAERO 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NDEDFHPKENRRLP-IJLUTSLNSA-N 1 0 308.382 0.060 10 0 DCAERO Cc1nccn1CCCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175001250 416094327 /nfs/dbraw/zinc/09/43/27/416094327.db2.gz TVXYNIXOABIMHH-AWEZNQCLSA-N 1 0 323.441 0.992 10 0 DCAERO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](CC(N)=O)C3)C2=O)n(C)n1 ZINC000175264643 416100626 /nfs/dbraw/zinc/10/06/26/416100626.db2.gz CUKIHTMQENPMSP-CHWSQXEVSA-N 1 0 319.409 0.421 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN1C(=O)N[C@](C)(CC)C1=O ZINC000175543973 416109647 /nfs/dbraw/zinc/10/96/47/416109647.db2.gz AWTPWVBEBJQRGH-BLLLJJGKSA-N 1 0 324.425 0.650 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000175786946 416113786 /nfs/dbraw/zinc/11/37/86/416113786.db2.gz LVUZRLOKAFXWQP-SDDRHHMPSA-N 1 0 313.316 0.542 10 0 DCAERO CCCC[C@H](NC(N)=O)C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328625008 416122917 /nfs/dbraw/zinc/12/29/17/416122917.db2.gz KFXGLPAMBLFGHO-QWRGUYRKSA-N 1 0 308.386 0.997 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000176367916 416124702 /nfs/dbraw/zinc/12/47/02/416124702.db2.gz BLMMJHORTZVFBT-NEPJUHHUSA-N 1 0 303.428 0.299 10 0 DCAERO Cc1cc(C)n([C@H](C)C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)n1 ZINC000328632493 416125791 /nfs/dbraw/zinc/12/57/91/416125791.db2.gz RZQKTUZZCPKAEP-CHWSQXEVSA-N 1 0 302.382 1.431 10 0 DCAERO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)[nH]1 ZINC000176763735 416135433 /nfs/dbraw/zinc/13/54/33/416135433.db2.gz DWKNXUXWHSHWGY-CQSZACIVSA-N 1 0 306.410 0.669 10 0 DCAERO CN(C[C@H]1CCOC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000177301489 416144097 /nfs/dbraw/zinc/14/40/97/416144097.db2.gz XLJUILKNGUGVOW-CQSZACIVSA-N 1 0 318.421 0.942 10 0 DCAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177657221 416149597 /nfs/dbraw/zinc/14/95/97/416149597.db2.gz BGZWWJZDPWFYPQ-CYBMUJFWSA-N 1 0 319.409 0.755 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000177804555 416152573 /nfs/dbraw/zinc/15/25/73/416152573.db2.gz UBURLBBQCMZOHS-LBPRGKRZSA-N 1 0 305.444 0.547 10 0 DCAERO CC[NH+]1CCN(CCC(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357921460 416152722 /nfs/dbraw/zinc/15/27/22/416152722.db2.gz MCKYMHNAWNTGLM-AWEZNQCLSA-N 1 0 310.442 0.093 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177940086 416154204 /nfs/dbraw/zinc/15/42/04/416154204.db2.gz KCQMVNLFVYAFKZ-ZDUSSCGKSA-N 1 0 305.382 0.442 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000178646762 416167475 /nfs/dbraw/zinc/16/74/75/416167475.db2.gz WNPTWNZPAZCFSC-TZMCWYRMSA-N 1 0 304.394 0.930 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000178676452 416169140 /nfs/dbraw/zinc/16/91/40/416169140.db2.gz XLMKHSGRTYPXBC-LLVKDONJSA-N 1 0 310.398 0.437 10 0 DCAERO O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCC[NH2+]1 ZINC000178736574 416170458 /nfs/dbraw/zinc/17/04/58/416170458.db2.gz GOOBPQHQWRTVDQ-GFCCVEGCSA-N 1 0 301.350 0.932 10 0 DCAERO CCn1cc(CN2CCCN(C(=O)N[C@@H]3CCOC3)CC2)cn1 ZINC000178746827 416170525 /nfs/dbraw/zinc/17/05/25/416170525.db2.gz BEYXZTDEBOQQOP-OAHLLOKOSA-N 1 0 321.425 0.909 10 0 DCAERO COC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000345952159 416174483 /nfs/dbraw/zinc/17/44/83/416174483.db2.gz KWSIQASINQBFOH-RWMBFGLXSA-N 1 0 316.377 0.230 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC000329577449 416177683 /nfs/dbraw/zinc/17/76/83/416177683.db2.gz WBEIJAXKRUWUBI-HRCADAONSA-N 1 0 323.437 0.709 10 0 DCAERO CN(C)c1ncc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000179085873 416182675 /nfs/dbraw/zinc/18/26/75/416182675.db2.gz KILCQISLDNRBAW-UHFFFAOYSA-N 1 0 320.397 0.083 10 0 DCAERO COC(=O)CSCCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358161211 416204610 /nfs/dbraw/zinc/20/46/10/416204610.db2.gz DVCLKVYXGVPQCK-UHFFFAOYSA-N 1 0 315.439 0.844 10 0 DCAERO CN1CCO[C@H](C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C1 ZINC000181503157 416207619 /nfs/dbraw/zinc/20/76/19/416207619.db2.gz GURRZYSFOYWRII-KGLIPLIRSA-N 1 0 312.410 0.899 10 0 DCAERO CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@]2(CCOC2)O1 ZINC000358236526 416216720 /nfs/dbraw/zinc/21/67/20/416216720.db2.gz OSLPWLJXGDLPPU-YOEHRIQHSA-N 1 0 323.437 0.173 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)CCO1 ZINC000182933570 416232367 /nfs/dbraw/zinc/23/23/67/416232367.db2.gz UMVRGMRSDDXSJV-INIZCTEOSA-N 1 0 316.409 0.484 10 0 DCAERO COCCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185801131 416254445 /nfs/dbraw/zinc/25/44/45/416254445.db2.gz IDTPVWMQEIQGGC-UONOGXRCSA-N 1 0 301.431 0.900 10 0 DCAERO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000186517567 416256601 /nfs/dbraw/zinc/25/66/01/416256601.db2.gz BRKFUMJFTLTYSI-KKUMJFAQSA-N 1 0 315.797 0.645 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189537675 416265279 /nfs/dbraw/zinc/26/52/79/416265279.db2.gz WYFBLYKDNMAVJZ-WDEREUQCSA-N 1 0 313.361 0.627 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CCCNC(=O)[C@H]2C)CC1 ZINC000189319290 416265886 /nfs/dbraw/zinc/26/58/86/416265886.db2.gz JVNXFVBZKPNVEL-CYBMUJFWSA-N 1 0 310.442 0.186 10 0 DCAERO 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0.982 10 0 DCAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190604273 280321747 /nfs/dbraw/zinc/32/17/47/280321747.db2.gz BPSKQDFSNPZQPK-HNNXBMFYSA-N 1 0 311.426 0.470 10 0 DCAERO Cc1cc(Cn2nnc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2C)no1 ZINC000552011089 288258354 /nfs/dbraw/zinc/25/83/54/288258354.db2.gz JIUFNAOAZHXGHI-ZDUSSCGKSA-N 1 0 318.381 0.755 10 0 DCAERO CC[C@H]1CN(C(=O)N2CCC(OC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000408283981 281133790 /nfs/dbraw/zinc/13/37/90/281133790.db2.gz RJQUBGGUAJFSGC-KBPBESRZSA-N 1 0 313.442 0.994 10 0 DCAERO COCc1cccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000556039399 288368117 /nfs/dbraw/zinc/36/81/17/288368117.db2.gz ZBEHGPXYYPUBKF-UHFFFAOYSA-N 1 0 321.421 0.859 10 0 DCAERO CN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333679826 288861745 /nfs/dbraw/zinc/86/17/45/288861745.db2.gz ZMZQARNXJNXQCE-HTOAHKCRSA-N 1 0 309.410 0.308 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000075873428 289067248 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/nfs/dbraw/zinc/42/52/40/303425240.db2.gz SUKHJFXWPVUFRZ-RBSFLKMASA-N 1 0 323.437 0.601 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000261841512 303425575 /nfs/dbraw/zinc/42/55/75/303425575.db2.gz VARODJPKJXYVAE-SYQHCUMBSA-N 1 0 314.451 0.930 10 0 DCAERO O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000176831034 341901234 /nfs/dbraw/zinc/90/12/34/341901234.db2.gz NDNRQEBBFQEACT-GXTWGEPZSA-N 1 0 320.389 0.981 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000189139316 533967010 /nfs/dbraw/zinc/96/70/10/533967010.db2.gz XRYVCDQYPGHRPT-STQMWFEESA-N 1 0 319.471 0.757 10 0 DCAERO C[C@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000173650993 534292993 /nfs/dbraw/zinc/29/29/93/534292993.db2.gz BYSOPEYWGNPHFD-OLZOCXBDSA-N 1 0 317.455 0.401 10 0 DCAERO COc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(C(N)=O)cc1OC ZINC000262623325 518139356 /nfs/dbraw/zinc/13/93/56/518139356.db2.gz OVEHBNVUOOBDAR-RKDXNWHRSA-N 1 0 307.350 0.869 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](CO)O1 ZINC000187977809 534376426 /nfs/dbraw/zinc/37/64/26/534376426.db2.gz MJVIMYHCIOHLBF-SNPRPXQTSA-N 1 0 312.410 0.238 10 0 DCAERO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246630586 519731290 /nfs/dbraw/zinc/73/12/90/519731290.db2.gz KHONPKNVBVOXDV-UPJWGTAASA-N 1 0 317.455 0.351 10 0 DCAERO CCOC[C@@H](O)C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000105894522 520097621 /nfs/dbraw/zinc/09/76/21/520097621.db2.gz XLUHXIWASJYDCR-LBPRGKRZSA-N 1 0 318.368 0.793 10 0 DCAERO CC1(C)C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCO1 ZINC000158360207 520519185 /nfs/dbraw/zinc/51/91/85/520519185.db2.gz NZHYDXOBCIZPPK-AWEZNQCLSA-N 1 0 313.442 0.948 10 0 DCAERO CCC[C@@H](C(=O)NCCC(=O)NCc1cccnc1)[NH+](C)C ZINC000161953871 520587391 /nfs/dbraw/zinc/58/73/91/520587391.db2.gz NXXIWJDFIRSDPL-AWEZNQCLSA-N 1 0 306.410 0.934 10 0 DCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000262094035 521111813 /nfs/dbraw/zinc/11/18/13/521111813.db2.gz BBTVNDBKUUTZSK-STQMWFEESA-N 1 0 310.394 0.795 10 0 DCAERO CCC[NH+](CCC)CCCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000157362441 521645327 /nfs/dbraw/zinc/64/53/27/521645327.db2.gz ANBYPLVFEAMQEG-UHFFFAOYSA-N 1 0 324.425 0.603 10 0 DCAERO C[NH2+]CCN(C)C(=O)[C@@H](Cc1cccc(OC)c1)NC(C)=O ZINC000237301554 522001667 /nfs/dbraw/zinc/00/16/67/522001667.db2.gz QWGZAQTYEKZYDT-OAHLLOKOSA-N 1 0 307.394 0.420 10 0 DCAERO COCCc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190816656 522015159 /nfs/dbraw/zinc/01/51/59/522015159.db2.gz SMQGMEIRBNSZFD-CQSZACIVSA-N 1 0 319.405 0.977 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(CC)c1 ZINC000190349902 523479685 /nfs/dbraw/zinc/47/96/85/523479685.db2.gz WLZQAOHKQREWLA-ZIAGYGMSSA-N 1 0 319.409 0.927 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccnc1 ZINC000163532804 523831040 /nfs/dbraw/zinc/83/10/40/523831040.db2.gz ZPSISGFWGFKPOR-AWEZNQCLSA-N 1 0 320.393 0.038 10 0 DCAERO CO[C@H]1CC[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000364999452 524001846 /nfs/dbraw/zinc/00/18/46/524001846.db2.gz FLURDTRMRWZILX-SJORKVTESA-N 1 0 311.470 0.940 10 0 DCAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000105933530 524548915 /nfs/dbraw/zinc/54/89/15/524548915.db2.gz GCMOXQNTWCNTKT-GOEBONIOSA-N 1 0 305.422 0.920 10 0 DCAERO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H](C)[NH3+])c(C)s1 ZINC000157789760 525407979 /nfs/dbraw/zinc/40/79/79/525407979.db2.gz GUUPSKGQHQRZLZ-MRVPVSSYSA-N 1 0 305.425 0.107 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N(C)CC(=O)NC1CC1 ZINC000245767901 525560159 /nfs/dbraw/zinc/56/01/59/525560159.db2.gz KRDVOYLSNLUSGZ-MYPMTAMASA-N 1 0 323.437 0.659 10 0 DCAERO Cc1ccn2ncc(C(=O)NCCC[NH+]3CCC(O)CC3)c2n1 ZINC000136139670 525622114 /nfs/dbraw/zinc/62/21/14/525622114.db2.gz ZYBGBEYTWGFCDQ-UHFFFAOYSA-N 1 0 317.393 0.614 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@H]1C ZINC000365978206 525762006 /nfs/dbraw/zinc/76/20/06/525762006.db2.gz LGVOJWHTCYPLSB-AGIUHOORSA-N 1 0 306.410 0.743 10 0 DCAERO O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N[C@@H]1CC[NH2+]C1 ZINC000127925736 526578118 /nfs/dbraw/zinc/57/81/18/526578118.db2.gz AZPAZVSLCBGHNE-RKFFSXRUSA-N 1 0 324.402 0.434 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc4n[nH]nc43)[C@H]2C1 ZINC000284928615 536469342 /nfs/dbraw/zinc/46/93/42/536469342.db2.gz IXYYKOVLHFEOKM-STQMWFEESA-N 1 0 319.340 0.642 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000153907715 527258306 /nfs/dbraw/zinc/25/83/06/527258306.db2.gz HQGZNMURAXBKMU-UHFFFAOYSA-N 1 0 319.409 0.693 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCOc2ccccc2)cn1 ZINC000261882773 527321800 /nfs/dbraw/zinc/32/18/00/527321800.db2.gz FPMAKSGGJVFWNO-CVEARBPZSA-N 1 0 314.389 0.918 10 0 DCAERO [NH3+][C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 ZINC000238046446 527332901 /nfs/dbraw/zinc/33/29/01/527332901.db2.gz ABQLXWLZJOJBSF-LBPRGKRZSA-N 1 0 306.757 0.783 10 0 DCAERO CC[N@H+](CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)C1CC1 ZINC000276512213 527897860 /nfs/dbraw/zinc/89/78/60/527897860.db2.gz CLVONTWNWDCYLS-CQSZACIVSA-N 1 0 305.426 0.720 10 0 DCAERO OCC(CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000087753021 545709929 /nfs/dbraw/zinc/70/99/29/545709929.db2.gz XCLGODGRRXJDOC-VIFPVBQESA-N 1 0 310.177 0.676 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089453729 545713074 /nfs/dbraw/zinc/71/30/74/545713074.db2.gz FTRDIEJOVRDJMO-YPMHNXCESA-N 1 0 311.407 0.789 10 0 DCAERO COc1cc(C[NH2+]C[C@@](C)(O)CO)cc(Br)c1O ZINC000090286899 545717028 /nfs/dbraw/zinc/71/70/28/545717028.db2.gz XRVFYQZHLMJQHM-GFCCVEGCSA-N 1 0 320.183 0.996 10 0 DCAERO CCNS(=O)(=O)c1ccccc1NC[C@H]1CN(C)CCO1 ZINC000091673792 545718377 /nfs/dbraw/zinc/71/83/77/545718377.db2.gz ZGKXBMKXNMZILV-LBPRGKRZSA-N 1 0 313.423 0.727 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnc2ccccn2c1=O ZINC000101684967 545730764 /nfs/dbraw/zinc/73/07/64/545730764.db2.gz WSVWZTJVAYOFIH-GFCCVEGCSA-N 1 0 312.373 0.909 10 0 DCAERO CC(C)(C)n1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000178881284 545896472 /nfs/dbraw/zinc/89/64/72/545896472.db2.gz ORHNWNSIJAJSCK-ZDUSSCGKSA-N 1 0 319.409 0.883 10 0 DCAERO O=C(NCCCn1ccnn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182473558 545905209 /nfs/dbraw/zinc/90/52/09/545905209.db2.gz VDXGCEAYEDSQMK-CQSZACIVSA-N 1 0 322.413 0.032 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000183665097 545908111 /nfs/dbraw/zinc/90/81/11/545908111.db2.gz QGIKWHQANUMLOJ-NWDGAFQWSA-N 1 0 305.444 0.018 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C(C)C ZINC000183634902 545908667 /nfs/dbraw/zinc/90/86/67/545908667.db2.gz AJZLGBLOVLHPAA-KCQAQPDRSA-N 1 0 311.426 0.517 10 0 DCAERO CNC(=O)[C@H]([NH2+]CCn1cnc2ccccc2c1=O)C(C)C ZINC000183645544 545908841 /nfs/dbraw/zinc/90/88/41/545908841.db2.gz QVTPATGIHBXIOU-CQSZACIVSA-N 1 0 302.378 0.757 10 0 DCAERO C[C@@H](CNC(=O)c1[nH]nnc1-c1ccccc1)N1CCOCC1 ZINC000189054285 545919293 /nfs/dbraw/zinc/91/92/93/545919293.db2.gz NRNYUHVLKLPCHI-LBPRGKRZSA-N 1 0 315.377 0.922 10 0 DCAERO O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189789554 545922073 /nfs/dbraw/zinc/92/20/73/545922073.db2.gz PYGFGBXXKJQBET-UHFFFAOYSA-N 1 0 315.377 0.599 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000194663436 545933581 /nfs/dbraw/zinc/93/35/81/545933581.db2.gz KDLHBYCENVKBLQ-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248624979 545969064 /nfs/dbraw/zinc/96/90/64/545969064.db2.gz URKBHMMELSXKIB-XNRPHZJLSA-N 1 0 319.405 0.747 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249029314 545970275 /nfs/dbraw/zinc/97/02/75/545970275.db2.gz FBBDSKHZFHJGQF-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000262119278 545979025 /nfs/dbraw/zinc/97/90/25/545979025.db2.gz FVASATMRJUTUDU-GDBMZVCRSA-N 1 0 303.406 0.987 10 0 DCAERO CN(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000262142495 545979369 /nfs/dbraw/zinc/97/93/69/545979369.db2.gz HHQAOWOJDVRCJX-UBHSHLNASA-N 1 0 311.813 0.639 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000262154379 545980228 /nfs/dbraw/zinc/98/02/28/545980228.db2.gz HZCQUJDCRVJATE-IINYFYTJSA-N 1 0 304.325 0.526 10 0 DCAERO O=C(Cc1coc(-c2cccs2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262214021 545981243 /nfs/dbraw/zinc/98/12/43/545981243.db2.gz IZFHUFGOTYASLN-KOLCDFICSA-N 1 0 307.375 0.642 10 0 DCAERO CCN(CC)C(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262227564 545981350 /nfs/dbraw/zinc/98/13/50/545981350.db2.gz KAQKPAWJVHCAHU-GJZGRUSLSA-N 1 0 319.405 0.479 10 0 DCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1nccs1 ZINC000262236980 545981414 /nfs/dbraw/zinc/98/14/14/545981414.db2.gz KQLBUJIGLIDQFW-AAEUAGOBSA-N 1 0 320.418 0.861 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)NC(=O)CS2 ZINC000262268152 545982077 /nfs/dbraw/zinc/98/20/77/545982077.db2.gz MSRRAIVICBIKLH-KOLCDFICSA-N 1 0 307.375 0.041 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262272027 545982160 /nfs/dbraw/zinc/98/21/60/545982160.db2.gz NAWUQVMGODXXON-YGRLFVJLSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)c(F)c1 ZINC000262343431 545983508 /nfs/dbraw/zinc/98/35/08/545983508.db2.gz TXPJCCAEGNAAIY-KCJUWKMLSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(Cc1csc(-c2ccoc2)n1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262330276 545983864 /nfs/dbraw/zinc/98/38/64/545983864.db2.gz SDYIMTSSKYWFOD-ZYHUDNBSSA-N 1 0 307.375 0.642 10 0 DCAERO COc1ccc(C(C)(C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262346546 545984305 /nfs/dbraw/zinc/98/43/05/545984305.db2.gz UDFQBYZRTYUPTP-AAEUAGOBSA-N 1 0 322.405 0.678 10 0 DCAERO CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000330199500 546056623 /nfs/dbraw/zinc/05/66/23/546056623.db2.gz VNIXEWWAAINZQN-OCCSQVGLSA-N 1 0 307.398 0.652 10 0 DCAERO [NH3+]CCn1cc(C(=O)NCCCCOCc2ccccc2)nn1 ZINC000390704244 546220176 /nfs/dbraw/zinc/22/01/76/546220176.db2.gz FNOQRYLRRFVBES-UHFFFAOYSA-N 1 0 317.393 0.964 10 0 DCAERO COC[C@@H]([NH3+])c1cnnn1CCN1C(=O)c2ccccc2C1=O ZINC000675080165 547658641 /nfs/dbraw/zinc/65/86/41/547658641.db2.gz LVNCCWMQWZGMNV-GFCCVEGCSA-N 1 0 315.333 0.221 10 0 DCAERO CCC[C@H](C)C(=O)N1C[C@@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072469 547658848 /nfs/dbraw/zinc/65/88/48/547658848.db2.gz CUVOKBXYSYJCPE-OUCADQQQSA-N 1 0 302.440 0.787 10 0 DCAERO CC(C)([NH3+])c1cn(CCOC2CCS(=O)(=O)CC2)nn1 ZINC000725270154 548750325 /nfs/dbraw/zinc/75/03/25/548750325.db2.gz HTARQPBRVGCFQT-UHFFFAOYSA-N 1 0 302.400 0.066 10 0 DCAERO CN(Cc1cn(C)nn1)C(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000685942540 548748093 /nfs/dbraw/zinc/74/80/93/548748093.db2.gz OKUROGFFMHRFOS-LBPRGKRZSA-N 1 0 303.370 0.625 10 0 DCAERO COCCCS(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710137093 667445956 /nfs/dbraw/zinc/44/59/56/667445956.db2.gz DIUDEEVCIJCCFD-UHFFFAOYSA-N 1 0 305.425 0.326 10 0 DCAERO CCOC(=O)C1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722240928 660478442 /nfs/dbraw/zinc/47/84/42/660478442.db2.gz MXBRDRJBWITBFN-GFCCVEGCSA-N 1 0 304.412 0.343 10 0 DCAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000722313314 660701081 /nfs/dbraw/zinc/70/10/81/660701081.db2.gz XEQCSGRMAFXAQV-JQWIXIFHSA-N 1 0 300.380 0.974 10 0 DCAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccccc2)CC1 ZINC000309533470 657935209 /nfs/dbraw/zinc/93/52/09/657935209.db2.gz DEJJVAORGBJPMY-MRXNPFEDSA-N 1 0 323.462 0.886 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000725117401 658148360 /nfs/dbraw/zinc/14/83/60/658148360.db2.gz SKBQYZIASCWOEN-UHFFFAOYSA-N 1 0 303.453 0.548 10 0 DCAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000888077794 658721101 /nfs/dbraw/zinc/72/11/01/658721101.db2.gz VERLPQGPPONNJJ-KRWDZBQOSA-N 1 0 316.405 0.877 10 0 DCAERO Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150711987 659324680 /nfs/dbraw/zinc/32/46/80/659324680.db2.gz ZERHNMVPRBUKFE-OLZOCXBDSA-N 1 0 305.378 0.423 10 0 DCAERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000188458919 659336784 /nfs/dbraw/zinc/33/67/84/659336784.db2.gz CXZKEWYIWTXFBO-GFCCVEGCSA-N 1 0 322.365 0.754 10 0 DCAERO COC(=O)CCN(CC(C)C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722230881 659390085 /nfs/dbraw/zinc/39/00/85/659390085.db2.gz SBGOMMYEUFMVJX-GFCCVEGCSA-N 1 0 306.428 0.589 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)N1CCC(OCCC(=O)NC)CC1 ZINC000261614495 661323728 /nfs/dbraw/zinc/32/37/28/661323728.db2.gz BCOUFFLDYKVMKZ-UHFFFAOYSA-N 1 0 313.442 0.895 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)NCCS(C)(=O)=O)CC1 ZINC000178651247 661442489 /nfs/dbraw/zinc/44/24/89/661442489.db2.gz XDYHWFBRPZPVQM-UHFFFAOYSA-N 1 0 305.444 0.451 10 0 DCAERO CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262000895 661952305 /nfs/dbraw/zinc/95/23/05/661952305.db2.gz UBRDWOICSBHXLE-UHFFFAOYSA-N 1 0 302.422 0.234 10 0 DCAERO Cc1csc(NCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000909445927 662097323 /nfs/dbraw/zinc/09/73/23/662097323.db2.gz ROTVFWTXCRGCLI-NEPJUHHUSA-N 1 0 310.423 0.843 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000262241351 662213191 /nfs/dbraw/zinc/21/31/91/662213191.db2.gz HTMOTFPVZQIMCV-BXUZGUMPSA-N 1 0 305.378 0.964 10 0 DCAERO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]1Cn1cccn1 ZINC000896200255 662251058 /nfs/dbraw/zinc/25/10/58/662251058.db2.gz AQSJMNUXXWLISL-MRXNPFEDSA-N 1 0 318.421 0.985 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070576609 665856771 /nfs/dbraw/zinc/85/67/71/665856771.db2.gz QTBSXIUMYIAJTM-AVGNSLFASA-N 1 0 317.455 0.292 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728155018 662358312 /nfs/dbraw/zinc/35/83/12/662358312.db2.gz OHEUISNSJKFKJL-KKUMJFAQSA-N 1 0 315.410 0.628 10 0 DCAERO O=C(NC[C@@H]1CCc2nccn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897466860 662763086 /nfs/dbraw/zinc/76/30/86/662763086.db2.gz DFWXQLAWGLSRTQ-GXTWGEPZSA-N 1 0 304.394 0.282 10 0 DCAERO CCOC(=O)c1cnc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000897535829 662855874 /nfs/dbraw/zinc/85/58/74/662855874.db2.gz PIXWGMDZAPMJDC-JQWIXIFHSA-N 1 0 322.365 0.399 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NC1CCC2(CC1)OCCO2 ZINC000729590586 662904008 /nfs/dbraw/zinc/90/40/08/662904008.db2.gz MXJACMBVDXIURB-UHFFFAOYSA-N 1 0 320.393 0.900 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NCc1nc(C2CC2)no1 ZINC000729608715 662905336 /nfs/dbraw/zinc/90/53/36/662905336.db2.gz CWQFALXWQDOAKL-UHFFFAOYSA-N 1 0 302.338 0.675 10 0 DCAERO C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[N@@H+]1C ZINC000897615041 662914790 /nfs/dbraw/zinc/91/47/90/662914790.db2.gz OVKUQSJMLWNFMJ-ONGXEEELSA-N 1 0 301.354 0.474 10 0 DCAERO CO[C@@H]1C[C@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)C12CCC2 ZINC000721241227 664355262 /nfs/dbraw/zinc/35/52/62/664355262.db2.gz FCKGQKGKMBULII-XQQFMLRXSA-N 1 0 303.424 0.737 10 0 DCAERO COc1ccc2c(c1)N(CN1CC[C@H]([NH+](C)C)C1)C(=O)C2=O ZINC000170843105 665329496 /nfs/dbraw/zinc/32/94/96/665329496.db2.gz BHTGSSGCEUCINT-NSHDSACASA-N 1 0 303.362 0.818 10 0 DCAERO CCOC(=O)[C@]1(C)CC(=O)N(CN2CC[NH+](C3CC3)CC2)C1 ZINC000184867618 666298040 /nfs/dbraw/zinc/29/80/40/666298040.db2.gz BFUMNAWDDBJTMI-MRXNPFEDSA-N 1 0 309.410 0.526 10 0 DCAERO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1scnc1Cl ZINC000721312191 666597665 /nfs/dbraw/zinc/59/76/65/666597665.db2.gz YXMIMZAESJFPQX-UHFFFAOYSA-N 1 0 300.771 0.971 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000702348560 666939794 /nfs/dbraw/zinc/93/97/94/666939794.db2.gz CQJARZINQBJPJH-ZBFHGGJFSA-N 1 0 304.438 0.608 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000703026739 667030481 /nfs/dbraw/zinc/03/04/81/667030481.db2.gz MYZCHWDZHWCRRA-UTUOFQBUSA-N 1 0 303.428 0.044 10 0 DCAERO [NH3+]C1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000703494895 667092846 /nfs/dbraw/zinc/09/28/46/667092846.db2.gz KUAINEGOPBPLIJ-GPANFISMSA-N 1 0 303.406 0.741 10 0 DCAERO C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)CS1 ZINC000709741269 667445054 /nfs/dbraw/zinc/44/50/54/667445054.db2.gz KFNVOHFSLILLTB-NWDGAFQWSA-N 1 0 308.469 0.522 10 0 DCAERO C[C@]1(C(F)(F)F)CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000709606110 667445500 /nfs/dbraw/zinc/44/55/00/667445500.db2.gz LOKVBHSLKCHGHY-VIFPVBQESA-N 1 0 301.334 0.411 10 0 DCAERO CCN(C(=O)c1c(Br)nnn1C)[C@H]1CC[N@H+](C)C1 ZINC000710535220 667445678 /nfs/dbraw/zinc/44/56/78/667445678.db2.gz HFAMMYREPOCJQC-QMMMGPOBSA-N 1 0 316.203 0.744 10 0 DCAERO CS(=O)(=O)CC1(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000709880956 667445871 /nfs/dbraw/zinc/44/58/71/667445871.db2.gz LMKOGYRJJGMVDX-NXEZZACHSA-N 1 0 314.373 0.880 10 0 DCAERO CN(CCCCCC[NH3+])C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000710778703 667446156 /nfs/dbraw/zinc/44/61/56/667446156.db2.gz BOMLRAGJAGOUKM-GFCCVEGCSA-N 1 0 305.444 0.388 10 0 DCAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710739502 667446188 /nfs/dbraw/zinc/44/61/88/667446188.db2.gz CWNUNTBUNZDEOA-OUCADQQQSA-N 1 0 302.440 0.782 10 0 DCAERO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccnn2C)C[C@@H]1C ZINC000122128013 667563462 /nfs/dbraw/zinc/56/34/62/667563462.db2.gz CUNRNTLOUDTXQH-BETUJISGSA-N 1 0 309.414 0.671 10 0 DCAERO COCCn1cc(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)cn1 ZINC000886085602 667730065 /nfs/dbraw/zinc/73/00/65/667730065.db2.gz UUOIJOJKNMIQDP-CABCVRRESA-N 1 0 319.413 0.108 10 0 DCAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3cn[nH]n3)C2)ccn1 ZINC000886088859 667730898 /nfs/dbraw/zinc/73/08/98/667730898.db2.gz ZDIDLBKUVDWBJN-OAHLLOKOSA-N 1 0 302.382 0.915 10 0 DCAERO O=C(COC1CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000717737290 667878866 /nfs/dbraw/zinc/87/88/66/667878866.db2.gz HWJAGJKKOKSILX-QGZVFWFLSA-N 1 0 304.390 0.919 10 0 DCAERO C[C@@H](NC(=O)CNC(=O)C[NH3+])c1cccc(Br)c1 ZINC000037626925 668145719 /nfs/dbraw/zinc/14/57/19/668145719.db2.gz DMUFJDYYCMFKTI-MRVPVSSYSA-N 1 0 314.183 0.701 10 0 DCAERO 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0.934 10 0 DCAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)CCCC2 ZINC000275709531 130367697 /nfs/dbraw/zinc/36/76/97/130367697.db2.gz QTHIUADWYCAANL-CMPLNLGQSA-N 1 0 319.409 0.901 10 0 DCAERO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000283966517 131037471 /nfs/dbraw/zinc/03/74/71/131037471.db2.gz GSATWYODYUXCSE-AEGPPILISA-N 1 0 305.378 0.780 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)NCCCn3cccn3)C[C@@H]21 ZINC000284189387 131057543 /nfs/dbraw/zinc/05/75/43/131057543.db2.gz YDWNYWZRXDIBFC-UONOGXRCSA-N 1 0 307.398 0.388 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3nnc4ccccc4n3)[C@H]2C1 ZINC000285058257 131134560 /nfs/dbraw/zinc/13/45/60/131134560.db2.gz QQMIXRUWVVUVKU-KBPBESRZSA-N 1 0 313.361 0.570 10 0 DCAERO Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H](C)C2C[NH2+]C2)c1C ZINC000163967355 132125933 /nfs/dbraw/zinc/12/59/33/132125933.db2.gz CLCYHXFXFUQHEW-SNVBAGLBSA-N 1 0 311.407 0.745 10 0 DCAERO C[C@H]([C@H](C)NC(=O)CNC(=O)c1cccnc1)N1CCOCC1 ZINC000163961845 132128344 /nfs/dbraw/zinc/12/83/44/132128344.db2.gz PAYYSEGTFPLXFO-QWHCGFSZSA-N 1 0 320.393 0.037 10 0 DCAERO C[C@@H](NC(=O)CNC(=O)c1cccnc1)[C@H](C)N1CCOCC1 ZINC000163962186 132128389 /nfs/dbraw/zinc/12/83/89/132128389.db2.gz PAYYSEGTFPLXFO-OLZOCXBDSA-N 1 0 320.393 0.037 10 0 DCAERO C[NH2+]CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000121056424 132151738 /nfs/dbraw/zinc/15/17/38/132151738.db2.gz WMBDBLIUXNQALU-UHFFFAOYSA-N 1 0 304.438 0.530 10 0 DCAERO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000037015550 395725797 /nfs/dbraw/zinc/72/57/97/395725797.db2.gz HRCQEDFFBWZEHA-GXFFZTMASA-N 1 0 311.407 0.653 10 0 DCAERO C[NH+](C)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555216 395727956 /nfs/dbraw/zinc/72/79/56/395727956.db2.gz DVIVCEPJFWZKFF-UHFFFAOYSA-N 1 0 302.787 0.828 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc(Cl)cc1 ZINC000038031247 395730899 /nfs/dbraw/zinc/73/08/99/395730899.db2.gz HKNUWJHTEBBTFD-UHFFFAOYSA-N 1 0 309.797 0.773 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(c3cncc(C(N)=O)n3)CC2)CCO1 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ZINC000273541356 395929091 /nfs/dbraw/zinc/92/90/91/395929091.db2.gz TWDQDXFBBGZEHG-SGMGOOAPSA-N 1 0 321.425 0.884 10 0 DCAERO COCCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054307741 395896672 /nfs/dbraw/zinc/89/66/72/395896672.db2.gz BFJSCXVSIMLKFD-CHWSQXEVSA-N 1 0 318.439 0.038 10 0 DCAERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000054887078 395907642 /nfs/dbraw/zinc/90/76/42/395907642.db2.gz VGWZULQIGSMZNU-OAHLLOKOSA-N 1 0 323.437 0.570 10 0 DCAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000237242655 395908587 /nfs/dbraw/zinc/90/85/87/395908587.db2.gz PDTHJEPUDXYQBI-FUNVUKJBSA-N 1 0 323.418 0.689 10 0 DCAERO C[C@@H]1C[NH2+]CCN1c1ncc(I)cn1 ZINC000126353520 395912604 /nfs/dbraw/zinc/91/26/04/395912604.db2.gz AALJWFRJPGYOHF-SSDOTTSWSA-N 1 0 304.135 0.879 10 0 DCAERO C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000126748581 395913305 /nfs/dbraw/zinc/91/33/05/395913305.db2.gz UBJGVXDNCLEBEQ-STQMWFEESA-N 1 0 317.455 0.547 10 0 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ZINC000247135111 395968083 /nfs/dbraw/zinc/96/80/83/395968083.db2.gz JOPJGRUBOMMWJT-ZJUUUORDSA-N 1 0 322.331 0.543 10 0 DCAERO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)CO ZINC000247178416 395968623 /nfs/dbraw/zinc/96/86/23/395968623.db2.gz LPAQHMFQDQSFPT-YIYPIFLZSA-N 1 0 301.431 0.802 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000247248486 395970421 /nfs/dbraw/zinc/97/04/21/395970421.db2.gz SYWZBXLWMSJWQJ-CHWSQXEVSA-N 1 0 314.430 0.263 10 0 DCAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)CN1CCOCC1 ZINC000247323342 395971782 /nfs/dbraw/zinc/97/17/82/395971782.db2.gz IKDBXZOIUCSBEE-CVEARBPZSA-N 1 0 324.469 0.834 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000247465404 395974144 /nfs/dbraw/zinc/97/41/44/395974144.db2.gz REEZSRDSVHTRBQ-DOMZBBRYSA-N 1 0 312.377 0.971 10 0 DCAERO CC[C@H](COC)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248508074 395988627 /nfs/dbraw/zinc/98/86/27/395988627.db2.gz XXPOWHAHVMCAOX-BFHYXJOUSA-N 1 0 301.431 0.898 10 0 DCAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000248552839 395989518 /nfs/dbraw/zinc/98/95/18/395989518.db2.gz AKBROCYQQOLZMI-OPDFLTKYSA-N 1 0 300.399 0.847 10 0 DCAERO C[N@H+](CCCCO)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000276413703 395994701 /nfs/dbraw/zinc/99/47/01/395994701.db2.gz PWIQNQGNSBOVKY-GFCCVEGCSA-N 1 0 306.362 0.348 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@@H]1C ZINC000248732653 395996134 /nfs/dbraw/zinc/99/61/34/395996134.db2.gz NFWSEHITRZESOU-RYUDHWBXSA-N 1 0 318.381 0.648 10 0 DCAERO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)n1 ZINC000067741886 396032608 /nfs/dbraw/zinc/03/26/08/396032608.db2.gz UFRGOLGZOKLTPG-BDAKNGLRSA-N 1 0 317.315 0.152 10 0 DCAERO COCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000154167847 396033932 /nfs/dbraw/zinc/03/39/32/396033932.db2.gz CFKTYKWJPGWVAE-ZFWWWQNUSA-N 1 0 313.442 0.948 10 0 DCAERO [NH3+][C@H](C(=O)NC[C@H]1COc2ccccc2O1)C1CCOCC1 ZINC000261607622 396048662 /nfs/dbraw/zinc/04/86/62/396048662.db2.gz AWJGAKGWDYNRHH-WFASDCNBSA-N 1 0 306.362 0.697 10 0 DCAERO [NH3+][C@H](C(=O)NC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000261607619 396048780 /nfs/dbraw/zinc/04/87/80/396048780.db2.gz AWJGAKGWDYNRHH-DOMZBBRYSA-N 1 0 306.362 0.697 10 0 DCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@@H]([NH3+])C2CCOCC2)no1 ZINC000261620036 396049647 /nfs/dbraw/zinc/04/96/47/396049647.db2.gz CDUVFUFWLYPIFN-ZDUSSCGKSA-N 1 0 310.354 0.134 10 0 DCAERO COCC(=O)N[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000155504853 396053315 /nfs/dbraw/zinc/05/33/15/396053315.db2.gz XACTULROTSIMKQ-IPYPFGDCSA-N 1 0 313.442 0.619 10 0 DCAERO COc1ccccc1N1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261725352 396060314 /nfs/dbraw/zinc/06/03/14/396060314.db2.gz MIQAMBDATYKPBU-UHFFFAOYSA-N 1 0 319.405 0.852 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148577 396065709 /nfs/dbraw/zinc/06/57/09/396065709.db2.gz ZXCFBNVCNPIYOB-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@H](NC(=O)CNC(=O)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000159286187 396066634 /nfs/dbraw/zinc/06/66/34/396066634.db2.gz XRMMOSYXJPTAAR-LBPRGKRZSA-N 1 0 306.410 0.904 10 0 DCAERO CNC(=O)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000261799826 396067297 /nfs/dbraw/zinc/06/72/97/396067297.db2.gz MNKQKOXMUHKZCJ-TXEJJXNPSA-N 1 0 302.378 0.513 10 0 DCAERO [NH3+]C1(C(=O)NCc2cccc(N3CCCC3=O)c2)CCOCC1 ZINC000261804981 396067909 /nfs/dbraw/zinc/06/79/09/396067909.db2.gz JDNRKDPAYSDAFE-UHFFFAOYSA-N 1 0 317.389 0.938 10 0 DCAERO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249435762 396008375 /nfs/dbraw/zinc/00/83/75/396008375.db2.gz IJXIDLNGZJZCSN-JTQLQIEISA-N 1 0 320.365 0.617 10 0 DCAERO [NH3+][C@@H](C(=O)NCCC(=O)NC1CCCCC1)C1CCOCC1 ZINC000262006266 396089204 /nfs/dbraw/zinc/08/92/04/396089204.db2.gz NUQUYRARURBJLP-OAHLLOKOSA-N 1 0 311.426 0.696 10 0 DCAERO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)cc1 ZINC000262011892 396089896 /nfs/dbraw/zinc/08/98/96/396089896.db2.gz HOZWIYSMMJKISE-QWRGUYRKSA-N 1 0 313.423 0.602 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000069779058 396090332 /nfs/dbraw/zinc/09/03/32/396090332.db2.gz CYSGYBOKXOAMNW-CYBMUJFWSA-N 1 0 309.414 0.238 10 0 DCAERO Cc1noc(C2CCC(NC(=O)C[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000262029998 396091568 /nfs/dbraw/zinc/09/15/68/396091568.db2.gz BLZKZVKCTDNNKS-WXRRBKDZSA-N 1 0 308.382 0.899 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262027615 396091590 /nfs/dbraw/zinc/09/15/90/396091590.db2.gz NLWGJGSRVGKSPQ-NSHDSACASA-N 1 0 300.362 0.296 10 0 DCAERO CC(C)S(=O)(=O)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787725 396092853 /nfs/dbraw/zinc/09/28/53/396092853.db2.gz IYFOQSRKDMLDJB-LBPRGKRZSA-N 1 0 315.439 0.011 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(c3ccccc3F)CC2)CCOCC1 ZINC000262045844 396093294 /nfs/dbraw/zinc/09/32/94/396093294.db2.gz CHWXCLFJQBDGRL-UHFFFAOYSA-N 1 0 307.369 0.982 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N3CC[C@H]([NH+](C)C)C3)n2)cc1 ZINC000170858581 396098910 /nfs/dbraw/zinc/09/89/10/396098910.db2.gz IPCZGVNMGVFSKR-AWEZNQCLSA-N 1 0 314.393 0.811 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000170866672 396099499 /nfs/dbraw/zinc/09/94/99/396099499.db2.gz IJJMWIYMCWIINB-JTQLQIEISA-N 1 0 317.436 0.189 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)COc2ccccc2)C1 ZINC000170859730 396099775 /nfs/dbraw/zinc/09/97/75/396099775.db2.gz FGTZZNHYGWQSFS-CYBMUJFWSA-N 1 0 305.378 0.344 10 0 DCAERO c1nnn(-c2ccc3c(c2)OCCO3)c1CN1CC[NH2+]CC1 ZINC000070460969 396101767 /nfs/dbraw/zinc/10/17/67/396101767.db2.gz SQVTWQVBPJJSMJ-UHFFFAOYSA-N 1 0 301.350 0.444 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)C[C@@H]1CCOC1 ZINC000262161491 396105866 /nfs/dbraw/zinc/10/58/66/396105866.db2.gz ZXRXFSNQICCDFE-BFKVFCTQSA-N 1 0 302.440 0.848 10 0 DCAERO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000262452559 396142059 /nfs/dbraw/zinc/14/20/59/396142059.db2.gz GGTRTDCMUDRJJA-XGUBFFRZSA-N 1 0 309.410 0.271 10 0 DCAERO O=C(CN1CC[NH2+]C[C@H]1c1cccnc1)NCC(F)(F)F ZINC000262171579 396106422 /nfs/dbraw/zinc/10/64/22/396106422.db2.gz HTYMYPVBUUGYRK-NSHDSACASA-N 1 0 302.300 0.706 10 0 DCAERO CN1CCO[C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000171287408 396112572 /nfs/dbraw/zinc/11/25/72/396112572.db2.gz ATJFUMHFKXGZIR-AWEZNQCLSA-N 1 0 321.421 0.687 10 0 DCAERO O=C(CSCC(=O)c1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262294568 396119841 /nfs/dbraw/zinc/11/98/41/396119841.db2.gz OXZKHXOECKCSNL-QWHCGFSZSA-N 1 0 308.403 0.299 10 0 DCAERO Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1S(N)(=O)=O ZINC000171627250 396120205 /nfs/dbraw/zinc/12/02/05/396120205.db2.gz QMEIRCVWCDHBAE-ZDUSSCGKSA-N 1 0 323.418 0.563 10 0 DCAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1 ZINC000171625421 396120304 /nfs/dbraw/zinc/12/03/04/396120304.db2.gz RUMBNMYCKPUIHV-LBPRGKRZSA-N 1 0 307.398 0.928 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000262317210 396122901 /nfs/dbraw/zinc/12/29/01/396122901.db2.gz PWSSAFMBABXVNV-RKDXNWHRSA-N 1 0 312.420 0.968 10 0 DCAERO COc1ccccc1N1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262330387 396125655 /nfs/dbraw/zinc/12/56/55/396125655.db2.gz GOWPLPOOVBZVAH-KBPBESRZSA-N 1 0 319.405 0.769 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCc1cnn(-c2ccccc2)c1 ZINC000262352001 396128523 /nfs/dbraw/zinc/12/85/23/396128523.db2.gz VJWMDBRIJCAFOW-CQSZACIVSA-N 1 0 300.362 0.867 10 0 DCAERO COc1ccc(CCNC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000262378006 396132823 /nfs/dbraw/zinc/13/28/23/396132823.db2.gz YIJNUSLZKBVDBD-UHFFFAOYSA-N 1 0 308.378 0.870 10 0 DCAERO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[NH3+] ZINC000262465025 396143573 /nfs/dbraw/zinc/14/35/73/396143573.db2.gz CAPYJNVMBCIMES-LBPRGKRZSA-N 1 0 303.370 0.318 10 0 DCAERO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262405540 396136708 /nfs/dbraw/zinc/13/67/08/396136708.db2.gz ORJUKVVHVLYEQT-OLZOCXBDSA-N 1 0 305.378 0.876 10 0 DCAERO Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)n1 ZINC000278769971 396140346 /nfs/dbraw/zinc/14/03/46/396140346.db2.gz CGIIGFJHRAZMSY-LRDDRELGSA-N 1 0 317.393 0.128 10 0 DCAERO NC(=O)Nc1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261908977 396078266 /nfs/dbraw/zinc/07/82/66/396078266.db2.gz XITDSCFTFSEUOW-ZDUSSCGKSA-N 1 0 306.366 0.547 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000162068413 396079364 /nfs/dbraw/zinc/07/93/64/396079364.db2.gz RNMBTIKEVCYLIH-UHFFFAOYSA-N 1 0 316.405 0.898 10 0 DCAERO O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccco1 ZINC000261923407 396080061 /nfs/dbraw/zinc/08/00/61/396080061.db2.gz KQVAGUOHNVRJFN-MJBXVCDLSA-N 1 0 307.394 0.756 10 0 DCAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000261940259 396081455 /nfs/dbraw/zinc/08/14/55/396081455.db2.gz LEVAFBPJRNMBPK-KBPBESRZSA-N 1 0 305.378 0.620 10 0 DCAERO CN1C[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CCC1=O ZINC000162873350 396083810 /nfs/dbraw/zinc/08/38/10/396083810.db2.gz AKPURWGJNRZPIM-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO CCOc1ccnc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261960292 396084418 /nfs/dbraw/zinc/08/44/18/396084418.db2.gz HFPJGKNCKHOYHM-MRXNPFEDSA-N 1 0 305.426 0.997 10 0 DCAERO C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)NC(=O)C1CCCC1 ZINC000263225114 396206695 /nfs/dbraw/zinc/20/66/95/396206695.db2.gz MQHPLRDBUHZKGT-DGCLKSJQSA-N 1 0 321.425 0.883 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2ccc3c(c2)OCO3)n1 ZINC000263227142 396206723 /nfs/dbraw/zinc/20/67/23/396206723.db2.gz MYGXFHHKBLRVTN-LLVKDONJSA-N 1 0 302.334 0.965 10 0 DCAERO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263229834 396207842 /nfs/dbraw/zinc/20/78/42/396207842.db2.gz NGNJHVQZNNILDD-OUCADQQQSA-N 1 0 302.440 0.787 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262489620 396146696 /nfs/dbraw/zinc/14/66/96/396146696.db2.gz WGRHFOCLZVFTHP-NDBYEHHHSA-N 1 0 315.439 0.057 10 0 DCAERO CCNC(=O)CN(CC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262564699 396156089 /nfs/dbraw/zinc/15/60/89/396156089.db2.gz WIQGTYFRACWAMH-PVXIVEMSSA-N 1 0 311.426 0.504 10 0 DCAERO CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262596281 396159892 /nfs/dbraw/zinc/15/98/92/396159892.db2.gz XBJAKBXEWZYSLN-DZGCQCFKSA-N 1 0 317.389 0.629 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000262600854 396160338 /nfs/dbraw/zinc/16/03/38/396160338.db2.gz CAVXOAKEPCJSFG-HZSPNIEDSA-N 1 0 309.410 0.211 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000176963965 396163348 /nfs/dbraw/zinc/16/33/48/396163348.db2.gz ZJOCSTOLJALCLX-NSHDSACASA-N 1 0 310.398 0.260 10 0 DCAERO COCCOc1cc2c(cc1CNC[C@@H]1C[NH2+]C[C@@H]1O)OCO2 ZINC000263263113 396210547 /nfs/dbraw/zinc/21/05/47/396210547.db2.gz RFQULHXUWLORKB-OLZOCXBDSA-N 1 0 324.377 0.110 10 0 DCAERO CCOC(=O)C(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)OCC ZINC000262632953 396165345 /nfs/dbraw/zinc/16/53/45/396165345.db2.gz UVPHKHKDPNAIGK-NXEZZACHSA-N 1 0 300.355 0.115 10 0 DCAERO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000177236804 396170094 /nfs/dbraw/zinc/17/00/94/396170094.db2.gz WTVBZZNRKAWDQL-CJNGLKHVSA-N 1 0 303.406 0.938 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000262742328 396177883 /nfs/dbraw/zinc/17/78/83/396177883.db2.gz CSNMHQVPNVMIHA-ZJUUUORDSA-N 1 0 316.379 0.733 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262772579 396180940 /nfs/dbraw/zinc/18/09/40/396180940.db2.gz MQCFJPZTIMETKD-DTWKUNHWSA-N 1 0 318.420 0.811 10 0 DCAERO CC(C)n1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697095 396182155 /nfs/dbraw/zinc/18/21/55/396182155.db2.gz SOQCZBQXWUNVBL-GFCCVEGCSA-N 1 0 305.382 0.709 10 0 DCAERO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000262785049 396182341 /nfs/dbraw/zinc/18/23/41/396182341.db2.gz PYRTXVIHXGHXLI-WPRPVWTQSA-N 1 0 316.383 0.005 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000177804731 396184863 /nfs/dbraw/zinc/18/48/63/396184863.db2.gz FRRRBBBPBXEIQU-GFCCVEGCSA-N 1 0 323.422 0.857 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CC(=O)NCc2ccc(C)cc2)CC1 ZINC000075959614 396189788 /nfs/dbraw/zinc/18/97/88/396189788.db2.gz BVYOTIFXDLIPEB-KRWDZBQOSA-N 1 0 319.449 1.000 10 0 DCAERO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178295408 396192723 /nfs/dbraw/zinc/19/27/23/396192723.db2.gz GDVNRGXRZHHKHX-ZDUSSCGKSA-N 1 0 308.382 0.335 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181523566 396240016 /nfs/dbraw/zinc/24/00/16/396240016.db2.gz KSJCCAHPMWAERP-GVXVVHGQSA-N 1 0 322.409 0.354 10 0 DCAERO COc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc2c1OCCO2 ZINC000078639066 396250944 /nfs/dbraw/zinc/25/09/44/396250944.db2.gz BDRRVBPVOLNHLH-JTQLQIEISA-N 1 0 315.391 0.989 10 0 DCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCn1ccnn1 ZINC000182906885 396256776 /nfs/dbraw/zinc/25/67/76/396256776.db2.gz YNNAAADJXNTEJA-CQSZACIVSA-N 1 0 309.414 0.578 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)C(C)C ZINC000183657262 396272866 /nfs/dbraw/zinc/27/28/66/396272866.db2.gz CUVNDBPVUBKQDT-NSHDSACASA-N 1 0 310.398 0.211 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)C(C)C ZINC000183683324 396273274 /nfs/dbraw/zinc/27/32/74/396273274.db2.gz AGOTXVMZCYNPGD-AWEZNQCLSA-N 1 0 309.435 0.993 10 0 DCAERO Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@](C)(C(N)=O)C3)C2=O)n(C)n1 ZINC000280769384 396220313 /nfs/dbraw/zinc/22/03/13/396220313.db2.gz PBQFXCGIDJXWKF-XHDPSFHLSA-N 1 0 305.382 0.031 10 0 DCAERO Cc1ccc([C@H](C)NC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1C ZINC000179171725 396223319 /nfs/dbraw/zinc/22/33/19/396223319.db2.gz NCWCTFGZISGRRX-NUEKZKHPSA-N 1 0 306.406 0.908 10 0 DCAERO CCC[C@@H](C)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000179629144 396228627 /nfs/dbraw/zinc/22/86/27/396228627.db2.gz VZHAPFWBVSXZAC-CQSZACIVSA-N 1 0 311.426 0.426 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184407393 396294080 /nfs/dbraw/zinc/29/40/80/396294080.db2.gz LZLOJNWOAOWZTI-GFCCVEGCSA-N 1 0 307.398 0.529 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2c1cccc2F ZINC000185665979 396332523 /nfs/dbraw/zinc/33/25/23/396332523.db2.gz USEJWHAAXGDBSJ-NSHDSACASA-N 1 0 305.353 0.925 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CC(C)C)C(=O)C2)C1 ZINC000187068649 396362537 /nfs/dbraw/zinc/36/25/37/396362537.db2.gz ZGQWTHBBMSMYIP-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187076783 396363095 /nfs/dbraw/zinc/36/30/95/396363095.db2.gz HJZYNTDIFWWTAV-AWEZNQCLSA-N 1 0 308.426 0.781 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCc1ccc(Cl)cn1 ZINC000187403581 396369335 /nfs/dbraw/zinc/36/93/35/396369335.db2.gz LRZUEVLIEVCFNC-UHFFFAOYSA-N 1 0 300.790 0.848 10 0 DCAERO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)n1 ZINC000187527840 396370350 /nfs/dbraw/zinc/37/03/50/396370350.db2.gz WEYQACXJFFXKOR-CYBMUJFWSA-N 1 0 314.345 0.672 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186561542 396352531 /nfs/dbraw/zinc/35/25/31/396352531.db2.gz GHIKECMLHJDMTF-GFCCVEGCSA-N 1 0 302.378 0.554 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000188469233 396382438 /nfs/dbraw/zinc/38/24/38/396382438.db2.gz NGHWHJQXNJSBTB-HUUCEWRRSA-N 1 0 311.426 0.350 10 0 DCAERO O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[NH+]2CCC1CC2 ZINC000188605605 396383425 /nfs/dbraw/zinc/38/34/25/396383425.db2.gz CYYURIIAIRNBFU-QWRGUYRKSA-N 1 0 319.327 0.750 10 0 DCAERO O=C(NCc1ccc(F)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188845694 396386999 /nfs/dbraw/zinc/38/69/99/396386999.db2.gz PALKUMCOWRWXOR-UHFFFAOYSA-N 1 0 305.353 0.749 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCC(F)(F)CN)ccn2)CC1 ZINC000190216102 396403445 /nfs/dbraw/zinc/40/34/45/396403445.db2.gz WSCRLOAFCPQGLR-UHFFFAOYSA-N 1 0 313.352 0.157 10 0 DCAERO C[C@@H](C(=O)N1CCN(Cc2nccn2C(F)F)CC1)[C@H](C)[NH3+] ZINC000192104635 396429449 /nfs/dbraw/zinc/42/94/49/396429449.db2.gz YCWBSROAEGSBRD-MNOVXSKESA-N 1 0 315.368 0.906 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000193067262 396442699 /nfs/dbraw/zinc/44/26/99/396442699.db2.gz MGYVJGKPWFMSOM-FRRDWIJNSA-N 1 0 300.399 0.563 10 0 DCAERO CCc1ccc(CS(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000372201161 396496538 /nfs/dbraw/zinc/49/65/38/396496538.db2.gz LFVQNENYHBGJFV-OAHLLOKOSA-N 1 0 312.435 0.999 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000193416707 396450668 /nfs/dbraw/zinc/45/06/68/396450668.db2.gz JDVRLJRGOAMBRD-WCBMZHEXSA-N 1 0 308.354 0.425 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370209 396548860 /nfs/dbraw/zinc/54/88/60/396548860.db2.gz MWSGYLYVYDVGAX-RHSMWYFYSA-N 1 0 322.453 0.141 10 0 DCAERO C[C@@H](NC(=O)N1CCO[C@@]2(CCOC2)C1)C1=CC[N@H+](C)CC1 ZINC000373235841 396576888 /nfs/dbraw/zinc/57/68/88/396576888.db2.gz WJNVALIEUKVEOV-CJNGLKHVSA-N 1 0 309.410 0.838 10 0 DCAERO Cn1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000561862319 396648213 /nfs/dbraw/zinc/64/82/13/396648213.db2.gz VQYKLQHRXCRMCJ-UHFFFAOYSA-N 1 0 321.425 0.369 10 0 DCAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCS(N)(=O)=O)CC2 ZINC000374325767 396655286 /nfs/dbraw/zinc/65/52/86/396655286.db2.gz DRGHVNCGABOKJN-UHFFFAOYSA-N 1 0 310.419 0.968 10 0 DCAERO CC(C)[N@H+](C)CCNC(=O)NCCCN1CCCS1(=O)=O ZINC000587118601 396670633 /nfs/dbraw/zinc/67/06/33/396670633.db2.gz QSCHKHHPRIFNBN-UHFFFAOYSA-N 1 0 320.459 0.051 10 0 DCAERO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374533106 396671098 /nfs/dbraw/zinc/67/10/98/396671098.db2.gz AFUIXFHKRUPCGU-QGZVFWFLSA-N 1 0 317.389 0.564 10 0 DCAERO CC[C@H](C)[C@H](NC(=O)CN1CCOCC[C@H]1C)C(=O)OC ZINC000374990186 396702514 /nfs/dbraw/zinc/70/25/14/396702514.db2.gz RZWPMWBXQUNNPG-SCRDCRAPSA-N 1 0 300.399 0.801 10 0 DCAERO CSC1(CNC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000589087151 396703591 /nfs/dbraw/zinc/70/35/91/396703591.db2.gz AYBIJWGANXATGI-GFCCVEGCSA-N 1 0 311.451 0.695 10 0 DCAERO Cc1cc(C)n(-c2cncc(N3CC[NH+](C[C@@H](C)O)CC3)n2)n1 ZINC000302558447 396720411 /nfs/dbraw/zinc/72/04/11/396720411.db2.gz SQYAYRRONPFLPS-CQSZACIVSA-N 1 0 316.409 0.782 10 0 DCAERO COC(=O)c1cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c[nH]1 ZINC000610652100 396743244 /nfs/dbraw/zinc/74/32/44/396743244.db2.gz ABOBTCNRWZNGOM-ZDUSSCGKSA-N 1 0 321.377 0.671 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Cl)cc1 ZINC000311990751 396761383 /nfs/dbraw/zinc/76/13/83/396761383.db2.gz OJMYSRXBLYFIPY-LBPRGKRZSA-N 1 0 304.799 0.748 10 0 DCAERO Cc1[nH]ccc1C(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000375886749 396840331 /nfs/dbraw/zinc/84/03/31/396840331.db2.gz ZCFGSMRKMIRZDK-AWEZNQCLSA-N 1 0 306.410 0.412 10 0 DCAERO CCOC(=O)C1(O)CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000611430186 396867303 /nfs/dbraw/zinc/86/73/03/396867303.db2.gz NWQWILJEKYLYMQ-OKILXGFUSA-N 1 0 312.410 0.240 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333790900 396932455 /nfs/dbraw/zinc/93/24/55/396932455.db2.gz GFGJRKJPDWSXGB-QWHCGFSZSA-N 1 0 317.455 0.737 10 0 DCAERO Cc1ccncc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000376569591 396947495 /nfs/dbraw/zinc/94/74/95/396947495.db2.gz HCPCCAZITVCYGN-KRWDZBQOSA-N 1 0 304.438 0.886 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2ccccc2F)[C@](C)(C[NH3+])C1 ZINC000630359412 396993750 /nfs/dbraw/zinc/99/37/50/396993750.db2.gz DCSZWHMAPBBQQO-GWCFXTLKSA-N 1 0 302.371 0.953 10 0 DCAERO Cn1nncc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000612730624 397129214 /nfs/dbraw/zinc/12/92/14/397129214.db2.gz HCHZCHXVWLYGKQ-SWLSCSKDSA-N 1 0 303.410 0.833 10 0 DCAERO c1c(C[NH2+]CCCOC[C@@H]2CCCO2)nnn1C[C@H]1CCOC1 ZINC000631036671 397158145 /nfs/dbraw/zinc/15/81/45/397158145.db2.gz GQZLDFSOMLOWFV-ZBFHGGJFSA-N 1 0 324.425 0.990 10 0 DCAERO c1c(C[NH2+]CC2(N3CCOCC3)CC2)nnn1C[C@H]1CCOC1 ZINC000631122462 397173247 /nfs/dbraw/zinc/17/32/47/397173247.db2.gz PSKIAYCGXNZSCR-CQSZACIVSA-N 1 0 321.425 0.269 10 0 DCAERO CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000619276094 397110779 /nfs/dbraw/zinc/11/07/79/397110779.db2.gz ROVRHCRNZRDIJC-UXIGCNINSA-N 1 0 319.409 0.433 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000386315290 397287838 /nfs/dbraw/zinc/28/78/38/397287838.db2.gz SWSFMMZOYQLPDD-AVGNSLFASA-N 1 0 300.399 0.393 10 0 DCAERO O=C1CC[C@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCN12 ZINC000390715794 397301855 /nfs/dbraw/zinc/30/18/55/397301855.db2.gz CJMWWNOUPSEUQY-HOTGVXAUSA-N 1 0 304.390 0.871 10 0 DCAERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000614329312 397420354 /nfs/dbraw/zinc/42/03/54/397420354.db2.gz FZDCLBOTTVLVDZ-LBPRGKRZSA-N 1 0 315.381 0.614 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)CCO1 ZINC000370169730 397450242 /nfs/dbraw/zinc/45/02/42/397450242.db2.gz BALHTYWTQSAADI-RDBSUJKOSA-N 1 0 306.410 0.906 10 0 DCAERO COc1cccc(CCNC(=O)NCCOCC[NH+](C)C)n1 ZINC000471648351 397451676 /nfs/dbraw/zinc/45/16/76/397451676.db2.gz UHOSRBZTVLWMIX-UHFFFAOYSA-N 1 0 310.398 0.510 10 0 DCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000441695523 397413895 /nfs/dbraw/zinc/41/38/95/397413895.db2.gz RDSWONFMRGAEDR-OCCSQVGLSA-N 1 0 308.382 0.409 10 0 DCAERO C=Cn1cc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cn1 ZINC000578290356 397415094 /nfs/dbraw/zinc/41/50/94/397415094.db2.gz YTPMDBSJPPCEQS-CQSZACIVSA-N 1 0 314.393 0.998 10 0 DCAERO COC[C@@]1(C(=O)N2CCC(c3ccnn3C)CC2)CC[NH2+]C1 ZINC000579350409 397554633 /nfs/dbraw/zinc/55/46/33/397554633.db2.gz LUTCWYCDWIUBBD-MRXNPFEDSA-N 1 0 306.410 0.752 10 0 DCAERO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000371342431 397574389 /nfs/dbraw/zinc/57/43/89/397574389.db2.gz AIVVIQVMIGESOH-KGLIPLIRSA-N 1 0 323.437 0.567 10 0 DCAERO CCc1nc(C(C)(C)NC(=O)NC[C@H]2C[N@H+](C)CCN2C)no1 ZINC000579911512 397597333 /nfs/dbraw/zinc/59/73/33/397597333.db2.gz JOVROODCUWILDX-NSHDSACASA-N 1 0 324.429 0.412 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000603594323 397617511 /nfs/dbraw/zinc/61/75/11/397617511.db2.gz PLQDHEVGTNDWEX-ZDUSSCGKSA-N 1 0 306.414 0.331 10 0 DCAERO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)[nH]1 ZINC000604376508 397638041 /nfs/dbraw/zinc/63/80/41/397638041.db2.gz NGNRSCLXIYRMJP-HNNXBMFYSA-N 1 0 320.437 0.768 10 0 DCAERO COc1cc(OC)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262755929 286241689 /nfs/dbraw/zinc/24/16/89/286241689.db2.gz HWCWFSKSAUUFRG-YGRLFVJLSA-N 1 0 314.407 0.980 10 0 DCAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CN2CCOCC2)C12CCC2 ZINC000121008720 286247396 /nfs/dbraw/zinc/24/73/96/286247396.db2.gz DWNRHWVNXWNLGS-ARFHVFGLSA-N 1 0 312.454 0.959 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCOCC2 ZINC000186497683 286386840 /nfs/dbraw/zinc/38/68/40/286386840.db2.gz WAYUOYKOXSYLFJ-UONOGXRCSA-N 1 0 322.409 0.703 10 0 DCAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000174474316 300059548 /nfs/dbraw/zinc/05/95/48/300059548.db2.gz HHRZEVMKZJOWJH-STQMWFEESA-N 1 0 319.471 0.505 10 0 DCAERO COCCCS(=O)(=O)NCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177771966 292373127 /nfs/dbraw/zinc/37/31/27/292373127.db2.gz KIQYWLYXUOUZSX-CQSZACIVSA-N 1 0 319.471 0.112 10 0 DCAERO CCCC(=O)NCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050797333 158012220 /nfs/dbraw/zinc/01/22/20/158012220.db2.gz LVNKPNXRFDUBKC-UHFFFAOYSA-N 1 0 324.469 0.578 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000070969181 158048727 /nfs/dbraw/zinc/04/87/27/158048727.db2.gz DTUKMWXPSMSSGT-NSHDSACASA-N 1 0 308.382 0.875 10 0 DCAERO C[C@H](CNC(=O)N(C)C[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657004 158059336 /nfs/dbraw/zinc/05/93/36/158059336.db2.gz OPQMTNVMHGMYOB-HUUCEWRRSA-N 1 0 312.458 0.690 10 0 DCAERO O=C(CCOC[C@H]1CCCO1)NCCCC[NH+]1CCOCC1 ZINC000077728380 158069124 /nfs/dbraw/zinc/06/91/24/158069124.db2.gz KNRWPCQYWZCZNR-OAHLLOKOSA-N 1 0 314.426 0.801 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000078378309 158072347 /nfs/dbraw/zinc/07/23/47/158072347.db2.gz SODZOCMAINGKEY-CYBMUJFWSA-N 1 0 317.455 0.401 10 0 DCAERO COC(=O)CNC(=O)CC[N@H+](C)CCc1ccccc1OC ZINC000078641849 158074329 /nfs/dbraw/zinc/07/43/29/158074329.db2.gz KOTDPNMWHOKKPS-UHFFFAOYSA-N 1 0 308.378 0.849 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000091768236 158109431 /nfs/dbraw/zinc/10/94/31/158109431.db2.gz UVZRTEWAZSWSTL-UONOGXRCSA-N 1 0 318.425 0.791 10 0 DCAERO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(=O)n(C)c1=O ZINC000092788888 158117552 /nfs/dbraw/zinc/11/75/52/158117552.db2.gz XYOKDKOEVWTICE-LLVKDONJSA-N 1 0 320.418 0.920 10 0 DCAERO CC(C)[N@H+](CCc1nccs1)Cc1cn(C)c(=O)n(C)c1=O ZINC000093764310 158120916 /nfs/dbraw/zinc/12/09/16/158120916.db2.gz LMZQIIAYOFTTIJ-UHFFFAOYSA-N 1 0 322.434 0.994 10 0 DCAERO Cc1nc(CN2CCC[N@@H+](C[C@H](O)COC(C)C)CC2)no1 ZINC000105903405 158132460 /nfs/dbraw/zinc/13/24/60/158132460.db2.gz HYTJXKZMFCOELQ-AWEZNQCLSA-N 1 0 312.414 0.672 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C)COC3)CC2)CCO1 ZINC000112753093 158143435 /nfs/dbraw/zinc/14/34/35/158143435.db2.gz ZPGBCNBGALRVPZ-CYBMUJFWSA-N 1 0 311.426 0.918 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112753065 158144038 /nfs/dbraw/zinc/14/40/38/158144038.db2.gz PUQBSNBVUCNHAA-OAHLLOKOSA-N 1 0 324.469 0.834 10 0 DCAERO CO[C@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415415 158152822 /nfs/dbraw/zinc/15/28/22/158152822.db2.gz AOIDGGQEYBWEGL-CYBMUJFWSA-N 1 0 306.410 0.827 10 0 DCAERO CC[NH+]1CCN(c2ccc(C(=O)NC(C)(CO)CO)cc2)CC1 ZINC000120515013 158199711 /nfs/dbraw/zinc/19/97/11/158199711.db2.gz LUOCKSOXJZUCFA-UHFFFAOYSA-N 1 0 321.421 0.302 10 0 DCAERO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC2CCOCC2)CCN1C ZINC000122071980 158219069 /nfs/dbraw/zinc/21/90/69/158219069.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 1 0 300.443 0.957 10 0 DCAERO C[C@H]1CN(C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112368 158238823 /nfs/dbraw/zinc/23/88/23/158238823.db2.gz UUOXIBWSNWWFMK-ZDUSSCGKSA-N 1 0 309.410 0.321 10 0 DCAERO O=C(C[C@H]1CCOc2ccccc21)NCCN1CC[NH2+]CC1 ZINC000125648672 158257942 /nfs/dbraw/zinc/25/79/42/158257942.db2.gz RIZSEVCYORERHB-CQSZACIVSA-N 1 0 303.406 0.964 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(CCO)CCOC1 ZINC000130119103 158293711 /nfs/dbraw/zinc/29/37/11/158293711.db2.gz IBPJQMYXCDQEKV-ZBFHGGJFSA-N 1 0 313.442 0.949 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130321323 158294723 /nfs/dbraw/zinc/29/47/23/158294723.db2.gz BZXRGJGKDGHRPM-ZDUSSCGKSA-N 1 0 310.442 0.886 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134735645 158330056 /nfs/dbraw/zinc/33/00/56/158330056.db2.gz HSILQKOYHDKUQZ-OAHLLOKOSA-N 1 0 322.409 0.823 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)CC)[C@H](C)C1 ZINC000135650148 158338493 /nfs/dbraw/zinc/33/84/93/158338493.db2.gz IXPWSZFVQQFYHN-VXGBXAGGSA-N 1 0 305.444 0.114 10 0 DCAERO CCOC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724087 158340394 /nfs/dbraw/zinc/34/03/94/158340394.db2.gz APRZZAWRLHUOJF-LBPRGKRZSA-N 1 0 304.412 0.440 10 0 DCAERO CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000137367541 158345104 /nfs/dbraw/zinc/34/51/04/158345104.db2.gz 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ZINC000172040730 158390042 /nfs/dbraw/zinc/39/00/42/158390042.db2.gz XCOVQMJXOVWHNO-VXGBXAGGSA-N 1 0 306.414 0.501 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC000172619010 158396466 /nfs/dbraw/zinc/39/64/66/158396466.db2.gz NLVXWHPOVZGOII-STQMWFEESA-N 1 0 317.455 0.353 10 0 DCAERO O=C(Cn1cnnn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189002986 158548961 /nfs/dbraw/zinc/54/89/61/158548961.db2.gz HPAJHSXFFWZRMI-ZWNOBZJWSA-N 1 0 322.319 0.213 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000193734109 158589109 /nfs/dbraw/zinc/58/91/09/158589109.db2.gz IKZVSZIWZRVYLR-UHFFFAOYSA-N 1 0 306.366 0.581 10 0 DCAERO Cc1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nn1C ZINC000261814623 158741528 /nfs/dbraw/zinc/74/15/28/158741528.db2.gz HPZUFHJGVIWQGT-LLVKDONJSA-N 1 0 319.331 0.294 10 0 DCAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cnc2n1CCC2 ZINC000261965577 158759365 /nfs/dbraw/zinc/75/93/65/158759365.db2.gz AUBHOLZOXJTBLA-CYBMUJFWSA-N 1 0 300.428 0.871 10 0 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/nfs/dbraw/zinc/04/60/63/159046063.db2.gz HGPPWBOXIFLJGU-KBPBESRZSA-N 1 0 307.398 0.236 10 0 DCAERO CCn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CCO2)cn1 ZINC000328991864 159050149 /nfs/dbraw/zinc/05/01/49/159050149.db2.gz SOWMQYCPWVKLFP-KKUMJFAQSA-N 1 0 322.409 0.522 10 0 DCAERO C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCN1C1CC[NH+](C)CC1 ZINC000329083960 159059947 /nfs/dbraw/zinc/05/99/47/159059947.db2.gz FMDNWSJENLCWCY-KBPBESRZSA-N 1 0 322.453 0.980 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@H]2C1 ZINC000329366657 159086147 /nfs/dbraw/zinc/08/61/47/159086147.db2.gz GZRSFTMRNDXCPD-QWHCGFSZSA-N 1 0 321.425 0.968 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nn1 ZINC000329505667 159098254 /nfs/dbraw/zinc/09/82/54/159098254.db2.gz HJUTTZPAASNVCD-MRVWCRGKSA-N 1 0 323.397 0.031 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)nn1 ZINC000329558392 159102032 /nfs/dbraw/zinc/10/20/32/159102032.db2.gz LKDCBUFIJZUXBH-ZMJPVWNMSA-N 1 0 323.397 0.029 10 0 DCAERO C[NH+]1CCC(Cc2nc(CC(=O)N3CCOCC3)no2)CC1 ZINC000329647979 159109019 /nfs/dbraw/zinc/10/90/19/159109019.db2.gz BLUXWJXPELEMCL-UHFFFAOYSA-N 1 0 308.382 0.355 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000329791391 159120448 /nfs/dbraw/zinc/12/04/48/159120448.db2.gz UMQOMXOAEUZXQZ-LCGIIJARSA-N 1 0 321.425 0.581 10 0 DCAERO CCn1cncc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000329991598 159134829 /nfs/dbraw/zinc/13/48/29/159134829.db2.gz XCQWRCPGQMNTAN-LBPRGKRZSA-N 1 0 300.428 0.913 10 0 DCAERO CC[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@]2(CCOC2)O1 ZINC000330102312 159141854 /nfs/dbraw/zinc/14/18/54/159141854.db2.gz FSLOBGLKWGWXTJ-LZWOXQAQSA-N 1 0 312.410 0.240 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129720 159143961 /nfs/dbraw/zinc/14/39/61/159143961.db2.gz KDVMUPCVBLRMEV-SWLSCSKDSA-N 1 0 309.410 0.176 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000332857522 159215221 /nfs/dbraw/zinc/21/52/21/159215221.db2.gz ZSSSCVLZXMISEC-XQHKEYJVSA-N 1 0 310.398 0.805 10 0 DCAERO COCCN(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)cn1 ZINC000366786334 159285999 /nfs/dbraw/zinc/28/59/99/159285999.db2.gz FHCSANAJHFGLPM-INIZCTEOSA-N 1 0 320.437 0.681 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367202272 159320959 /nfs/dbraw/zinc/32/09/59/159320959.db2.gz TXQFYFQPPTYUSN-BLLLJJGKSA-N 1 0 319.453 0.474 10 0 DCAERO Cc1noc2ncc(S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)cc12 ZINC000408024633 160014626 /nfs/dbraw/zinc/01/46/26/160014626.db2.gz FCRNFDMIZCCOMT-JTQLQIEISA-N 1 0 310.379 0.856 10 0 DCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000408028015 160015886 /nfs/dbraw/zinc/01/58/86/160015886.db2.gz CDQVHFLWUVHZKN-CABCVRRESA-N 1 0 322.453 0.140 10 0 DCAERO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cc[nH]n2)CC1 ZINC000408032085 160016647 /nfs/dbraw/zinc/01/66/47/160016647.db2.gz RNPDLEJKWKHMHG-HNNXBMFYSA-N 1 0 303.410 0.506 10 0 DCAERO CC(C)c1nc2c(n1C)CCN(C(=O)C1(NC(N)=O)CC1)C2 ZINC000408063666 160026722 /nfs/dbraw/zinc/02/67/22/160026722.db2.gz RQTPEUPVXWKFGT-UHFFFAOYSA-N 1 0 305.382 0.629 10 0 DCAERO C[C@H]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)O1 ZINC000408086543 160032634 /nfs/dbraw/zinc/03/26/34/160032634.db2.gz JXMRNSCSCCVXJL-LUGNKYPNSA-N 1 0 323.437 0.754 10 0 DCAERO C[C@H]1CC[C@H]([N@H+](CCO)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000408209638 160060990 /nfs/dbraw/zinc/06/09/90/160060990.db2.gz VACBZZQDSNVBGI-STQMWFEESA-N 1 0 305.440 0.409 10 0 DCAERO COc1c(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)nn1C ZINC000408235106 160065985 /nfs/dbraw/zinc/06/59/85/160065985.db2.gz IKJDFUFJFVYYNN-GFCCVEGCSA-N 1 0 307.398 0.727 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccnn2C)[C@@H](C)C1 ZINC000408237186 160066497 /nfs/dbraw/zinc/06/64/97/160066497.db2.gz MFFZPDGUYYQKLO-RYUDHWBXSA-N 1 0 300.428 0.771 10 0 DCAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408277232 160074983 /nfs/dbraw/zinc/07/49/83/160074983.db2.gz NYEMLKYXUWIYHS-IJLUTSLNSA-N 1 0 303.428 0.009 10 0 DCAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000408280225 160075225 /nfs/dbraw/zinc/07/52/25/160075225.db2.gz GHPPXENTZFKUGU-MLGOLLRUSA-N 1 0 311.426 0.112 10 0 DCAERO C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@@H](CO)C2)([NH+](C)C)C1 ZINC000408380258 160096003 /nfs/dbraw/zinc/09/60/03/160096003.db2.gz WGUHQSMCVOHOAZ-IIAWOOMASA-N 1 0 313.442 0.900 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)=O)C2)[C@H](C)C1 ZINC000408449990 160111010 /nfs/dbraw/zinc/11/10/10/160111010.db2.gz CQQLSHGHYPHSBU-SNPRPXQTSA-N 1 0 310.442 0.979 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000130405812 286994001 /nfs/dbraw/zinc/99/40/01/286994001.db2.gz DIEKOOKEXJBQOD-UHFFFAOYSA-N 1 0 304.354 0.134 10 0 DCAERO C[NH+](C)C1CCN(CCNc2cncc(OCCO)n2)CC1 ZINC000133127397 287009108 /nfs/dbraw/zinc/00/91/08/287009108.db2.gz FXNDEKRKYJZFLI-UHFFFAOYSA-N 1 0 309.414 0.286 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1CC ZINC000133135046 287009199 /nfs/dbraw/zinc/00/91/99/287009199.db2.gz BJZMOXPMPKUWCO-LBPRGKRZSA-N 1 0 310.402 0.780 10 0 DCAERO COCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000137113924 287027959 /nfs/dbraw/zinc/02/79/59/287027959.db2.gz QTQQNAIRCHEDOO-ZFWWWQNUSA-N 1 0 315.458 0.866 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000153266465 287048716 /nfs/dbraw/zinc/04/87/16/287048716.db2.gz UBZIFQCQTVVEDD-UHFFFAOYSA-N 1 0 307.398 0.832 10 0 DCAERO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2cccs2)c(=O)[nH]c1=O ZINC000195340928 287062698 /nfs/dbraw/zinc/06/26/98/287062698.db2.gz KWTJBZKXDKOPDZ-MRVPVSSYSA-N 1 0 322.390 0.734 10 0 DCAERO [NH3+]CC1(NS(=O)(=O)c2ccc(F)c(F)c2)CCOCC1 ZINC000230732899 287064225 /nfs/dbraw/zinc/06/42/25/287064225.db2.gz MLMNWVIYWYFDPO-UHFFFAOYSA-N 1 0 306.334 0.751 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000245675547 287071932 /nfs/dbraw/zinc/07/19/32/287071932.db2.gz FTZGVZCTKIYVMK-RRFJBIMHSA-N 1 0 313.442 0.948 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CN(C(=O)OC)C1 ZINC000245667702 287072069 /nfs/dbraw/zinc/07/20/69/287072069.db2.gz BJDYZJUIKJZTOV-OLZOCXBDSA-N 1 0 310.398 0.705 10 0 DCAERO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)C1 ZINC000245689516 287072320 /nfs/dbraw/zinc/07/23/20/287072320.db2.gz KCPFEXYCAYNRCI-XWUBHJNHSA-N 1 0 311.426 0.107 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000245435295 287069005 /nfs/dbraw/zinc/06/90/05/287069005.db2.gz QIDAKDUIADMQQQ-MCIONIFRSA-N 1 0 312.458 0.241 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000246052945 287075694 /nfs/dbraw/zinc/07/56/94/287075694.db2.gz CLRDICRRPXCARM-MCIONIFRSA-N 1 0 319.471 0.614 10 0 DCAERO CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1=O ZINC000246318086 287081202 /nfs/dbraw/zinc/08/12/02/287081202.db2.gz FIGJDPLBNSNBMA-WQGACYEGSA-N 1 0 324.425 0.552 10 0 DCAERO 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0.990 10 0 DCAERO C[C@H](CN1CCOCC1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000383323004 685242535 /nfs/dbraw/zinc/24/25/35/685242535.db2.gz SWOZWDHAIDHNIO-SECBINFHSA-N 1 0 303.204 0.983 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037622951 415194544 /nfs/dbraw/zinc/19/45/44/415194544.db2.gz DRROMQHTYGXZHU-UHFFFAOYSA-N 1 0 311.407 0.468 10 0 DCAERO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000062892095 415345172 /nfs/dbraw/zinc/34/51/72/415345172.db2.gz ZGSRFNQEYZQEQE-QMTHXVAHSA-N 1 0 311.407 0.511 10 0 DCAERO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C(N)=O ZINC000081625574 415482279 /nfs/dbraw/zinc/48/22/79/415482279.db2.gz MXQBWXZFGFNHJJ-SGMGOOAPSA-N 1 0 311.426 0.646 10 0 DCAERO COC[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CC(C)(C)O1 ZINC000332769872 415469553 /nfs/dbraw/zinc/46/95/53/415469553.db2.gz HLLUHKBBOZUXFA-QWHCGFSZSA-N 1 0 315.414 0.152 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)NCC(F)(F)F ZINC000079982357 415476300 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CCc1cc(C(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc(=O)[nH]1 ZINC000182352281 416219124 /nfs/dbraw/zinc/21/91/24/416219124.db2.gz NULUMCJGSBIAED-CQSZACIVSA-N 1 0 307.394 0.466 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(c1)nnn2C ZINC000182772027 416231365 /nfs/dbraw/zinc/23/13/65/416231365.db2.gz OBZLPYUVTBHJCB-ZYHUDNBSSA-N 1 0 300.366 0.672 10 0 DCAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178205733 416158600 /nfs/dbraw/zinc/15/86/00/416158600.db2.gz IPPKUGUWBQBQJY-WDEREUQCSA-N 1 0 321.343 0.998 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCOC1 ZINC000178364726 416162765 /nfs/dbraw/zinc/16/27/65/416162765.db2.gz KTKUWRQDPDRYFD-STQMWFEESA-N 1 0 318.373 0.612 10 0 DCAERO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178500262 416163694 /nfs/dbraw/zinc/16/36/94/416163694.db2.gz AWLOHHFMOZWHJY-VXGBXAGGSA-N 1 0 317.455 0.257 10 0 DCAERO COCCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183675588 416248347 /nfs/dbraw/zinc/24/83/47/416248347.db2.gz BLVDXPOMUFXVKB-CYBMUJFWSA-N 1 0 306.410 0.940 10 0 DCAERO CC[C@H]1CN(CC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000183759473 416251167 /nfs/dbraw/zinc/25/11/67/416251167.db2.gz RSDYRCOVWSXJOR-AWEZNQCLSA-N 1 0 304.394 0.778 10 0 DCAERO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000185333000 416253649 /nfs/dbraw/zinc/25/36/49/416253649.db2.gz SRRQRHKMBFSBLF-KBPBESRZSA-N 1 0 306.472 0.997 10 0 DCAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000186326359 416255676 /nfs/dbraw/zinc/25/56/76/416255676.db2.gz QBOWVFVAADQFPG-RYUDHWBXSA-N 1 0 305.444 0.305 10 0 DCAERO CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1=O ZINC000190381654 416278161 /nfs/dbraw/zinc/27/81/61/416278161.db2.gz QREAIHALDLMMBL-CQSZACIVSA-N 1 0 309.410 0.321 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000341981996 416262154 /nfs/dbraw/zinc/26/21/54/416262154.db2.gz CPPPHYUITFBVJK-PBHICJAKSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)CC[N@@H+]1CCO ZINC000190249503 416276629 /nfs/dbraw/zinc/27/66/29/416276629.db2.gz FJTVUYLQDYOUDE-CQSZACIVSA-N 1 0 316.409 0.220 10 0 DCAERO c1nc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)co1 ZINC000192284431 416304532 /nfs/dbraw/zinc/30/45/32/416304532.db2.gz COWPZEZZOWCVIE-UHFFFAOYSA-N 1 0 302.382 0.767 10 0 DCAERO C[C@@H]1COCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000192639984 416309954 /nfs/dbraw/zinc/30/99/54/416309954.db2.gz PQEQGARKXDJWNQ-ILXRZTDVSA-N 1 0 323.437 0.424 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000193202120 416314099 /nfs/dbraw/zinc/31/40/99/416314099.db2.gz YTMKQUOWOGATPK-RYUDHWBXSA-N 1 0 305.444 0.366 10 0 DCAERO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1S(N)(=O)=O ZINC000193495231 416317230 /nfs/dbraw/zinc/31/72/30/416317230.db2.gz RRVZRDLWSWXMPN-ZYHUDNBSSA-N 1 0 311.407 0.513 10 0 DCAERO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)CN1CCOCC1 ZINC000191127603 416284389 /nfs/dbraw/zinc/28/43/89/416284389.db2.gz 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/nfs/dbraw/zinc/32/88/57/416328857.db2.gz SCSVIPQQUQHHRA-CQSZACIVSA-N 1 0 323.437 0.745 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000237968987 416329594 /nfs/dbraw/zinc/32/95/94/416329594.db2.gz DFEWVAMVWZFOMH-CHWSQXEVSA-N 1 0 317.455 0.340 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000245434663 416331151 /nfs/dbraw/zinc/33/11/51/416331151.db2.gz PWALUURXEFYQCE-OLZOCXBDSA-N 1 0 306.410 0.143 10 0 DCAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCc1cn[nH]c1 ZINC000360278031 416383924 /nfs/dbraw/zinc/38/39/24/416383924.db2.gz RILQCCARSCNPNS-CQSZACIVSA-N 1 0 309.414 0.704 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000434480784 416480349 /nfs/dbraw/zinc/48/03/49/416480349.db2.gz OBABUVSFZFSXKW-CABCVRRESA-N 1 0 313.442 0.012 10 0 DCAERO Cc1c([C@H]2[C@H]([NH2+][C@@H](C)Cn3cccn3)CC(=O)N2C)cnn1C ZINC000583623778 416480364 /nfs/dbraw/zinc/48/03/64/416480364.db2.gz RYPYHBMHQJOZBW-PEYYIBSZSA-N 1 0 316.409 0.875 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NCC1(N2CCOCC2)CC1 ZINC000434461886 416480844 /nfs/dbraw/zinc/48/08/44/416480844.db2.gz XXBNYMMZIXUCEL-UHFFFAOYSA-N 1 0 319.409 0.079 10 0 DCAERO CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(=O)n4[n-]ccc4n3)[C@H]2C1 ZINC000534383223 416502514 /nfs/dbraw/zinc/50/25/14/416502514.db2.gz OSXPNBJVXCFGAE-RDBSUJKOSA-N 1 0 318.377 0.791 10 0 DCAERO C[S@@](=O)C1(CNC(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000438607754 416600038 /nfs/dbraw/zinc/60/00/38/416600038.db2.gz FDZXVBOZUGBTKN-OAQYLSRUSA-N 1 0 310.423 0.516 10 0 DCAERO C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000547691697 416682226 /nfs/dbraw/zinc/68/22/26/416682226.db2.gz NGPUPIFZLISNFK-XQQFMLRXSA-N 1 0 308.382 0.940 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542437210 416623606 /nfs/dbraw/zinc/62/36/06/416623606.db2.gz QGINKOSRAMLRBH-LBPRGKRZSA-N 1 0 323.445 0.791 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000441052699 416659176 /nfs/dbraw/zinc/65/91/76/416659176.db2.gz RIJRIBMTQSSTEO-GWCFXTLKSA-N 1 0 321.425 0.774 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000557663998 416747162 /nfs/dbraw/zinc/74/71/62/416747162.db2.gz GQTDMAFPWGGDQS-NXEZZACHSA-N 1 0 309.332 0.854 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000369356024 416759040 /nfs/dbraw/zinc/75/90/40/416759040.db2.gz ZMQHSGHNMNDYFR-RFGFWPKPSA-N 1 0 308.426 0.731 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000631954235 416830220 /nfs/dbraw/zinc/83/02/20/416830220.db2.gz FVQLFGPOYWLNMZ-TUAOUCFPSA-N 1 0 306.453 0.275 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)c2cc(F)cc(F)c2)CCOCC1 ZINC000624386517 417023913 /nfs/dbraw/zinc/02/39/13/417023913.db2.gz MQSDVPJNGZNACR-UHFFFAOYSA-N 1 0 306.334 0.751 10 0 DCAERO Cc1cccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c1F ZINC000624387663 417025361 /nfs/dbraw/zinc/02/53/61/417025361.db2.gz YDTBNZXGDRGYRC-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000624396395 417027355 /nfs/dbraw/zinc/02/73/55/417027355.db2.gz ONNBXHTYJRWACN-UHFFFAOYSA-N 1 0 304.387 0.823 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)O1 ZINC000374599672 416983367 /nfs/dbraw/zinc/98/33/67/416983367.db2.gz GIPMAOBWOIKOKA-XCBNKYQSSA-N 1 0 318.299 0.820 10 0 DCAERO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000624415314 417035744 /nfs/dbraw/zinc/03/57/44/417035744.db2.gz ASBLCTTYTSJYRL-GXSJLCMTSA-N 1 0 300.380 0.733 10 0 DCAERO Nc1nc(C2CC2)ncc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000376733293 417038996 /nfs/dbraw/zinc/03/89/96/417038996.db2.gz HWMYEQDOHSHJRC-GFCCVEGCSA-N 1 0 317.393 0.529 10 0 DCAERO CCc1cnc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)s1 ZINC000388257773 417095123 /nfs/dbraw/zinc/09/51/23/417095123.db2.gz KBYUEPCVHIHYTR-VIFPVBQESA-N 1 0 305.425 0.113 10 0 DCAERO COC[C@H](O)CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404201063 417117722 /nfs/dbraw/zinc/11/77/22/417117722.db2.gz KFUWONXJNNRUBT-KZNAEPCWSA-N 1 0 320.433 0.969 10 0 DCAERO c1c([C@H]2CCC[NH2+]C2)nnn1Cc1nnnn1Cc1ccccc1 ZINC000404955522 417122177 /nfs/dbraw/zinc/12/21/77/417122177.db2.gz SDALRKLCXRYYID-AWEZNQCLSA-N 1 0 324.392 0.828 10 0 DCAERO COC(=O)[C@]1(C)C[N@H+](CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC000407961858 417128305 /nfs/dbraw/zinc/12/83/05/417128305.db2.gz BHVMCZRFIQFGEK-DGCLKSJQSA-N 1 0 319.423 0.057 10 0 DCAERO CN(Cc1ccccc1)C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405374051 417125933 /nfs/dbraw/zinc/12/59/33/417125933.db2.gz ZVOHYYPIPDJIDE-JKSUJKDBSA-N 1 0 303.406 0.396 10 0 DCAERO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000408288688 417155084 /nfs/dbraw/zinc/15/50/84/417155084.db2.gz ZMOUSBCGKAQTGU-VXGBXAGGSA-N 1 0 303.428 0.140 10 0 DCAERO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn(C)c1=O ZINC000527094140 417214566 /nfs/dbraw/zinc/21/45/66/417214566.db2.gz AKQQSUGJGUFIAE-UHFFFAOYSA-N 1 0 308.382 0.042 10 0 DCAERO CC1(C)CC[C@H](CO)[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000621380861 417284896 /nfs/dbraw/zinc/28/48/96/417284896.db2.gz GJQRAUJAZPUKKN-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)CC)CC12COC2 ZINC000451128201 417303914 /nfs/dbraw/zinc/30/39/14/417303914.db2.gz BGQFHVPOCSVGOT-XQQFMLRXSA-N 1 0 312.410 0.801 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633027912 417325556 /nfs/dbraw/zinc/32/55/56/417325556.db2.gz PSZSEPLYUHQONH-RYUDHWBXSA-N 1 0 316.361 0.181 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000633040062 417333004 /nfs/dbraw/zinc/33/30/04/417333004.db2.gz GIQLKLOVWPPOJZ-JQWIXIFHSA-N 1 0 318.377 0.556 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC12COC2 ZINC000452608190 417493152 /nfs/dbraw/zinc/49/31/52/417493152.db2.gz AGMBPPIIUKLEJK-HZSPNIEDSA-N 1 0 324.421 0.897 10 0 DCAERO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@@H]1C[NH3+] ZINC000638904249 417582347 /nfs/dbraw/zinc/58/23/47/417582347.db2.gz PYTRYQQRDRBRRX-SFYZADRCSA-N 1 0 301.188 0.849 10 0 DCAERO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000456524051 417652138 /nfs/dbraw/zinc/65/21/38/417652138.db2.gz FVZASBAALQFIOR-PBHICJAKSA-N 1 0 321.421 0.542 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCc3cncn3C2)n1 ZINC000581372770 417728889 /nfs/dbraw/zinc/72/88/89/417728889.db2.gz XHLNAKLTILMKGK-LBPRGKRZSA-N 1 0 302.382 0.842 10 0 DCAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630047519 417812242 /nfs/dbraw/zinc/81/22/42/417812242.db2.gz UHPAAFLQOPHXBO-PMPSAXMXSA-N 1 0 312.454 0.838 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000177007465 545889311 /nfs/dbraw/zinc/88/93/11/545889311.db2.gz DBLFRCZBCPIONG-STQMWFEESA-N 1 0 317.455 0.353 10 0 DCAERO NC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000299748567 229392126 /nfs/dbraw/zinc/39/21/26/229392126.db2.gz HMMAGRSNKKESQR-JKSUJKDBSA-N 1 0 306.406 0.538 10 0 DCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000105933140 261108170 /nfs/dbraw/zinc/10/81/70/261108170.db2.gz RWRQSCKSZZRLHX-IUODEOHRSA-N 1 0 309.385 0.751 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1 ZINC000105924155 261108190 /nfs/dbraw/zinc/10/81/90/261108190.db2.gz TUSHHNMNMYFUKC-ZDUSSCGKSA-N 1 0 310.398 0.726 10 0 DCAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000179610267 261113373 /nfs/dbraw/zinc/11/33/73/261113373.db2.gz PLMBMOXZXDFAOX-ZDUSSCGKSA-N 1 0 315.458 0.210 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000183940299 261117282 /nfs/dbraw/zinc/11/72/82/261117282.db2.gz GGDMLGNEWXOEAN-CYBMUJFWSA-N 1 0 310.394 0.377 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)CNC(=O)c1ccccc1C ZINC000184061430 261117712 /nfs/dbraw/zinc/11/77/12/261117712.db2.gz IVTFGNJVBKAVJS-UHFFFAOYSA-N 1 0 307.394 0.155 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000189301131 261131647 /nfs/dbraw/zinc/13/16/47/261131647.db2.gz IXBWJJRZPRZGEQ-CHWSQXEVSA-N 1 0 300.399 0.803 10 0 DCAERO CN(C)C(=O)CCCNC(=O)NCCCC[NH+]1CCOCC1 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/nfs/dbraw/zinc/42/86/93/288428693.db2.gz BGHPUWZHECQZKA-UHFFFAOYSA-N 1 0 317.411 0.554 10 0 DCAERO CN(C(=O)[C@H]1CSCN1C(=O)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000179072678 288912200 /nfs/dbraw/zinc/91/22/00/288912200.db2.gz XRVCPXJWRAPZDR-QWHCGFSZSA-N 1 0 311.451 0.898 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000182920806 289014764 /nfs/dbraw/zinc/01/47/64/289014764.db2.gz PIBJQTVNAXGHNR-CABCVRRESA-N 1 0 324.446 0.853 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246934258 289249900 /nfs/dbraw/zinc/24/99/00/289249900.db2.gz WQJYLISXHAEZGC-NFAWXSAZSA-N 1 0 323.437 0.613 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000337155325 289323970 /nfs/dbraw/zinc/32/39/70/289323970.db2.gz OTKGQEHZTJKVNW-LZUBYRBGSA-N 1 0 322.409 0.354 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000125083214 289384585 /nfs/dbraw/zinc/38/45/85/289384585.db2.gz CQKFAFHPBDZMHJ-QWRGUYRKSA-N 1 0 305.444 0.113 10 0 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CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)C1=O ZINC000156397168 520604588 /nfs/dbraw/zinc/60/45/88/520604588.db2.gz XXCHLWQEHDNBSM-ZDUSSCGKSA-N 1 0 318.377 0.865 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246374933 520622008 /nfs/dbraw/zinc/62/20/08/520622008.db2.gz RCJKOPDZIWDQMQ-OLZOCXBDSA-N 1 0 307.460 0.662 10 0 DCAERO C[NH2+]C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000237117717 521946793 /nfs/dbraw/zinc/94/67/93/521946793.db2.gz YGKWVMWRKDNDFG-UHFFFAOYSA-N 1 0 301.346 0.493 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(c2nnc(Cl)cc2C(N)=O)CC1 ZINC000267007146 522207671 /nfs/dbraw/zinc/20/76/71/522207671.db2.gz GYNRPEPHCBTKSG-SECBINFHSA-N 1 0 313.789 0.122 10 0 DCAERO COC(=O)c1cn(C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)nn1 ZINC000122200284 522309547 /nfs/dbraw/zinc/30/95/47/522309547.db2.gz GOEDFZUDBJWTGL-JTQLQIEISA-N 1 0 322.287 0.625 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000261981338 523416309 /nfs/dbraw/zinc/41/63/09/523416309.db2.gz 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C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000246489715 525055707 /nfs/dbraw/zinc/05/57/07/525055707.db2.gz PIDPAAVTSFEZKT-VNQPRFMTSA-N 1 0 303.406 0.866 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCOC[C@@H](O)C1 ZINC000295757271 534849822 /nfs/dbraw/zinc/84/98/22/534849822.db2.gz XQORKMQEIBDQLK-LBPRGKRZSA-N 1 0 304.346 0.366 10 0 DCAERO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cccc1N1CCNC1=O ZINC000237617359 525619506 /nfs/dbraw/zinc/61/95/06/525619506.db2.gz XNALDQALHYZUGC-CYBMUJFWSA-N 1 0 302.378 0.992 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000237814441 525867434 /nfs/dbraw/zinc/86/74/34/525867434.db2.gz XJGYKGQHDAEZKA-KGLIPLIRSA-N 1 0 314.393 0.892 10 0 DCAERO CS[C@H](CO)[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245603113 525896070 /nfs/dbraw/zinc/89/60/70/525896070.db2.gz WZTGVBSYUBYBNO-IACUBPJLSA-N 1 0 316.467 0.858 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(CO)c(F)c3)[C@H]2C1 ZINC000285127302 536469305 /nfs/dbraw/zinc/46/93/05/536469305.db2.gz VZVJOMWZECXJLM-GJZGRUSLSA-N 1 0 308.353 0.863 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154729418 527175649 /nfs/dbraw/zinc/17/56/49/527175649.db2.gz VZFBNPWIHNGFTF-YPMHNXCESA-N 1 0 304.394 0.680 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000246768919 527179663 /nfs/dbraw/zinc/17/96/63/527179663.db2.gz ICXKHRUYOBMMRH-STQMWFEESA-N 1 0 321.450 0.657 10 0 DCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000156113238 527212242 /nfs/dbraw/zinc/21/22/42/527212242.db2.gz RPNHZVNFIYAKSM-NSHDSACASA-N 1 0 308.359 0.905 10 0 DCAERO Cc1nn(C)cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176444241 527689203 /nfs/dbraw/zinc/68/92/03/527689203.db2.gz MNZIHEQPEMLYAQ-GFCCVEGCSA-N 1 0 308.426 0.893 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174019798 527821715 /nfs/dbraw/zinc/82/17/15/527821715.db2.gz CPTXPTJEOBQNNM-MJBXVCDLSA-N 1 0 319.471 0.614 10 0 DCAERO C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000037612770 545646637 /nfs/dbraw/zinc/64/66/37/545646637.db2.gz MSOBXYZUCMCMNG-JTQLQIEISA-N 1 0 311.407 0.653 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CCO1 ZINC000120842904 545746087 /nfs/dbraw/zinc/74/60/87/545746087.db2.gz FWYQNTNPKGKZMI-STQMWFEESA-N 1 0 306.428 0.148 10 0 DCAERO O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177971683 545894138 /nfs/dbraw/zinc/89/41/38/545894138.db2.gz OAARXBWZWUHDAW-AWEZNQCLSA-N 1 0 317.393 0.538 10 0 DCAERO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000178453736 545895656 /nfs/dbraw/zinc/89/56/56/545895656.db2.gz RWZXQVWMFGSTIV-INIZCTEOSA-N 1 0 302.422 0.282 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(OC2CCOCC2)cc1 ZINC000262074147 545978762 /nfs/dbraw/zinc/97/87/62/545978762.db2.gz BXHVMRLVQVNFKG-BBRMVZONSA-N 1 0 320.389 0.555 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(OCC(F)(F)F)cc1 ZINC000262144534 545979688 /nfs/dbraw/zinc/97/96/88/545979688.db2.gz 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ZINC000262224910 545981340 /nfs/dbraw/zinc/98/13/40/545981340.db2.gz JTVFFHFPLUDMKF-SMDDNHRTSA-N 1 0 317.393 0.631 10 0 DCAERO CC(C)COc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262217333 545981430 /nfs/dbraw/zinc/98/14/30/545981430.db2.gz JFIPHEOUZMTNBP-GOEBONIOSA-N 1 0 306.406 0.960 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccnc1OCC(F)(F)F ZINC000262243812 545982130 /nfs/dbraw/zinc/98/21/30/545982130.db2.gz LCUGTLMPPOFOSZ-SCZZXKLOSA-N 1 0 319.283 0.333 10 0 DCAERO CSc1ccc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262281384 545982566 /nfs/dbraw/zinc/98/25/66/545982566.db2.gz NXUILFSLVBORIH-JTNHKYCSSA-N 1 0 310.419 0.872 10 0 DCAERO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cs2)o1 ZINC000262291952 545982933 /nfs/dbraw/zinc/98/29/33/545982933.db2.gz OTEBJDSJYXVYHI-CMPLNLGQSA-N 1 0 321.402 0.951 10 0 DCAERO O=C(CSc1ccc(F)c(F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262356700 545984365 /nfs/dbraw/zinc/98/43/65/545984365.db2.gz UWIGCCXCCLYMPC-PRHODGIISA-N 1 0 302.346 0.753 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000262375444 545984786 /nfs/dbraw/zinc/98/47/86/545984786.db2.gz WNFLIVRQKNPAEH-IINYFYTJSA-N 1 0 304.325 0.322 10 0 DCAERO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000671492465 547225577 /nfs/dbraw/zinc/22/55/77/547225577.db2.gz GFVFXMQKHMEOKD-OAHLLOKOSA-N 1 0 302.334 0.644 10 0 DCAERO CCN1[C@]2(CCN(C(=O)OC(C)(C)C)C2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256572 548749291 /nfs/dbraw/zinc/74/92/91/548749291.db2.gz VPBXKPWQJYDDDT-GWCFXTLKSA-N 1 0 319.427 0.359 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261594647 661309593 /nfs/dbraw/zinc/30/95/93/661309593.db2.gz AQDQIKAMLZJASG-MISXGVKJSA-N 1 0 318.439 0.070 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC000888094564 661161741 /nfs/dbraw/zinc/16/17/41/661161741.db2.gz BOGHCEWTUOLFQE-BHTHQVBYSA-N 1 0 311.426 0.061 10 0 DCAERO CCS(=O)(=O)CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724114889 657984651 /nfs/dbraw/zinc/98/46/51/657984651.db2.gz PAIKDNIPQZBXOB-SSDOTTSWSA-N 1 0 313.288 0.959 10 0 DCAERO CCS(=O)(=O)CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724114891 657985532 /nfs/dbraw/zinc/98/55/32/657985532.db2.gz PAIKDNIPQZBXOB-ZETCQYMHSA-N 1 0 313.288 0.959 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](CCO)C2CCCC2)C1 ZINC000725084725 658129328 /nfs/dbraw/zinc/12/93/28/658129328.db2.gz CROIBLCMGMXUEW-TZMCWYRMSA-N 1 0 304.456 0.799 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000262565153 658197798 /nfs/dbraw/zinc/19/77/98/658197798.db2.gz RLUROZMYPLFOOU-ZYHUDNBSSA-N 1 0 306.284 0.526 10 0 DCAERO CC(=O)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093697342 658861105 /nfs/dbraw/zinc/86/11/05/658861105.db2.gz HKBXJANXUAYSLX-CYBMUJFWSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)c1nnnn1C1CC1 ZINC000190979279 659378784 /nfs/dbraw/zinc/37/87/84/659378784.db2.gz ATDYIYYGLQAQQT-WDEREUQCSA-N 1 0 323.401 0.089 10 0 DCAERO [NH2+]=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)NC[C@@H]1CCCO1 ZINC000330362942 659417203 /nfs/dbraw/zinc/41/72/03/659417203.db2.gz JUQSFGLDUMJBIS-RDBSUJKOSA-N 1 0 311.426 0.847 10 0 DCAERO COC(=O)c1cn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000069796843 665675157 /nfs/dbraw/zinc/67/51/57/665675157.db2.gz LEPUUDIMJVVWAU-CYBMUJFWSA-N 1 0 323.397 0.066 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000261686680 661398933 /nfs/dbraw/zinc/39/89/33/661398933.db2.gz HGVBCAKZNDTSMX-SSDOTTSWSA-N 1 0 304.368 0.569 10 0 DCAERO C[C@@]1(CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC[NH2+]C1 ZINC000261695605 661426697 /nfs/dbraw/zinc/42/66/97/661426697.db2.gz BGOGKYSZDVJDRC-QGZVFWFLSA-N 1 0 302.422 0.907 10 0 DCAERO Cc1cc(N2CCCN(Cc3nccn3C)CC2)nc(N)[nH+]1 ZINC000729920032 662913124 /nfs/dbraw/zinc/91/31/24/662913124.db2.gz QEEUVZHZKRMNPB-UHFFFAOYSA-N 1 0 301.398 0.813 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900712323 663274491 /nfs/dbraw/zinc/27/44/91/663274491.db2.gz 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667005620 /nfs/dbraw/zinc/00/56/20/667005620.db2.gz JEDHWFZZOOPBJT-WPRPVWTQSA-N 1 0 306.334 0.675 10 0 DCAERO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702843250 667010176 /nfs/dbraw/zinc/01/01/76/667010176.db2.gz CRQDMYUQINJTEA-CMPLNLGQSA-N 1 0 311.386 0.133 10 0 DCAERO Cc1nc2n(c1C)CCN(C(=O)[C@H](C[NH3+])C1CCOCC1)C2 ZINC000864749281 667279502 /nfs/dbraw/zinc/27/95/02/667279502.db2.gz XHSHHHWESZIOMB-CQSZACIVSA-N 1 0 306.410 0.844 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000709822045 667445793 /nfs/dbraw/zinc/44/57/93/667445793.db2.gz ZREKAAQNWANLJX-OPRDCNLKSA-N 1 0 316.345 0.564 10 0 DCAERO CC(C)(C)[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708823388 667443622 /nfs/dbraw/zinc/44/36/22/667443622.db2.gz STGMFFOZBFGVOY-NEPJUHHUSA-N 1 0 302.440 0.943 10 0 DCAERO COC[C@]1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)C[NH2+]CCO1 ZINC000710739526 667446102 /nfs/dbraw/zinc/44/61/02/667446102.db2.gz CZNBLLWALZRWTO-BZPMIXESSA-N 1 0 302.440 0.782 10 0 DCAERO 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Cc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000041642844 395738626 /nfs/dbraw/zinc/73/86/26/395738626.db2.gz FCXAUXOSDNBLEP-AWEZNQCLSA-N 1 0 319.405 0.897 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3nncn3C)CC2)C1 ZINC000105846185 395780905 /nfs/dbraw/zinc/78/09/05/395780905.db2.gz YQYRGTQRLLPDRV-HNNXBMFYSA-N 1 0 322.457 0.042 10 0 DCAERO OCC[NH+]1CCC2(CCN(c3ncccn3)C[C@H]2CO)CC1 ZINC000097745011 395760127 /nfs/dbraw/zinc/76/01/27/395760127.db2.gz XNJPCHUCGLZATJ-AWEZNQCLSA-N 1 0 306.410 0.370 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194724744 395805638 /nfs/dbraw/zinc/80/56/38/395805638.db2.gz ZBIXHIPLEALSNH-ZDUSSCGKSA-N 1 0 305.378 0.635 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nncn1C ZINC000111785430 395813662 /nfs/dbraw/zinc/81/36/62/395813662.db2.gz UQJVVIWEBWCDIY-NWDGAFQWSA-N 1 0 310.402 0.286 10 0 DCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112345817 395816280 /nfs/dbraw/zinc/81/62/80/395816280.db2.gz 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ZINC000113444938 395830720 /nfs/dbraw/zinc/83/07/20/395830720.db2.gz UUXISGYPXKBFTB-ZYHUDNBSSA-N 1 0 313.357 0.879 10 0 DCAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)no1 ZINC000195519419 395831629 /nfs/dbraw/zinc/83/16/29/395831629.db2.gz HOQFKWUVIIFHAV-LSDHHAIUSA-N 1 0 324.425 0.326 10 0 DCAERO COCCNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109390457 395798088 /nfs/dbraw/zinc/79/80/88/395798088.db2.gz LQPVWUHAGWZDPM-UHFFFAOYSA-N 1 0 309.414 0.635 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000124365702 395900555 /nfs/dbraw/zinc/90/05/55/395900555.db2.gz UZAQLDZIWAORBV-NSHDSACASA-N 1 0 317.842 0.912 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N3CCN(C4CC4)CC3)nc2n1 ZINC000124847920 395901354 /nfs/dbraw/zinc/90/13/54/395901354.db2.gz QIXQHVYAIAYHIW-UHFFFAOYSA-N 1 0 300.366 0.661 10 0 DCAERO C[NH2+][C@@H]1CCN(c2ncc(I)cn2)C1 ZINC000126280753 395911689 /nfs/dbraw/zinc/91/16/89/395911689.db2.gz YGKLPRLKBNQGMV-MRVPVSSYSA-N 1 0 304.135 0.879 10 0 DCAERO 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O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NC(=O)NCc1ccccc1 ZINC000246356863 395947997 /nfs/dbraw/zinc/94/79/97/395947997.db2.gz MZDSVCZHBAUBNM-HNNXBMFYSA-N 1 0 316.405 0.792 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000246362332 395948321 /nfs/dbraw/zinc/94/83/21/395948321.db2.gz KMSHVCQABINXKK-HZSPNIEDSA-N 1 0 323.441 0.668 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1 ZINC000137056908 395949972 /nfs/dbraw/zinc/94/99/72/395949972.db2.gz JSPGLNQWYGUZGL-NWDGAFQWSA-N 1 0 322.340 0.143 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000246464858 395950691 /nfs/dbraw/zinc/95/06/91/395950691.db2.gz NRHHNHAQCQADIF-CZUORRHYSA-N 1 0 303.406 0.938 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000246503562 395951297 /nfs/dbraw/zinc/95/12/97/395951297.db2.gz SSZFJPCBKDEQFF-KGLIPLIRSA-N 1 0 308.382 0.637 10 0 DCAERO O[C@@H](Cn1cccn1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000247122878 395966809 /nfs/dbraw/zinc/96/68/09/395966809.db2.gz JSSMOBGHGITJSW-CQSZACIVSA-N 1 0 302.382 0.246 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COCc2ccccc2)C[C@H]1C ZINC000247108363 395967221 /nfs/dbraw/zinc/96/72/21/395967221.db2.gz ITLARWVYUZIPOE-SOLBZPMBSA-N 1 0 322.449 0.951 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(CCOC)[C@@H](C)C2)C1 ZINC000247170781 395967988 /nfs/dbraw/zinc/96/79/88/395967988.db2.gz RBQVQMVXQQUJGA-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@@H](CO)[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247178393 395969123 /nfs/dbraw/zinc/96/91/23/395969123.db2.gz LPAQHMFQDQSFPT-IGQOVBAYSA-N 1 0 301.431 0.802 10 0 DCAERO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000247215951 395969292 /nfs/dbraw/zinc/96/92/92/395969292.db2.gz SDRQRANFYFLNIJ-HZPDHXFCSA-N 1 0 300.443 0.961 10 0 DCAERO COCCN1CC[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC000247246209 395970528 /nfs/dbraw/zinc/97/05/28/395970528.db2.gz SUWWKNUFTYEDNF-HUUCEWRRSA-N 1 0 312.410 0.810 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(=O)NC1CC1 ZINC000247553233 395976045 /nfs/dbraw/zinc/97/60/45/395976045.db2.gz ZKSVLSKXNRAVFU-OCCSQVGLSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000248010247 395981373 /nfs/dbraw/zinc/98/13/73/395981373.db2.gz PDZBXXZXHSMVCB-CHWSQXEVSA-N 1 0 311.426 0.422 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(N)=O)cn3)CC[C@H]21 ZINC000247977438 395981710 /nfs/dbraw/zinc/98/17/10/395981710.db2.gz HYFHWADCRYPWTG-GXTWGEPZSA-N 1 0 302.378 0.737 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC1 ZINC000248392388 395986023 /nfs/dbraw/zinc/98/60/23/395986023.db2.gz KMDVTFDSPMAAFO-SWLSCSKDSA-N 1 0 301.390 0.902 10 0 DCAERO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155068028 396046937 /nfs/dbraw/zinc/04/69/37/396046937.db2.gz YJIHGNYXXIZRLH-QWRGUYRKSA-N 1 0 317.393 0.425 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C1CCOCC1 ZINC000261602478 396047989 /nfs/dbraw/zinc/04/79/89/396047989.db2.gz ABOWOMPCTASMRJ-HUUCEWRRSA-N 1 0 323.437 0.505 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261575810 396048137 /nfs/dbraw/zinc/04/81/37/396048137.db2.gz BTRQQAUVJAQWSH-WCBMZHEXSA-N 1 0 304.803 0.446 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCO1 ZINC000155258130 396048905 /nfs/dbraw/zinc/04/89/05/396048905.db2.gz JBBNHRAVESWUCE-GFCCVEGCSA-N 1 0 301.394 0.974 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCOCC1 ZINC000261754000 396062000 /nfs/dbraw/zinc/06/20/00/396062000.db2.gz LJDFFBLBCSXRRX-CQSZACIVSA-N 1 0 321.377 0.318 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261756383 396063003 /nfs/dbraw/zinc/06/30/03/396063003.db2.gz NHNCXXMPSZILFO-ATZCPNFKSA-N 1 0 318.830 0.821 10 0 DCAERO C[C@]1(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]C1 ZINC000261776849 396065035 /nfs/dbraw/zinc/06/50/35/396065035.db2.gz NNYFNGORGXETDR-INIZCTEOSA-N 1 0 303.410 0.302 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]([NH3+])C3CCOCC3)C2)cn1 ZINC000261784932 396065658 /nfs/dbraw/zinc/06/56/58/396065658.db2.gz NFSRXTBNMWWKIQ-HIFRSBDPSA-N 1 0 321.425 0.259 10 0 DCAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cn(-c2ccccc2)nn1 ZINC000261811637 396068921 /nfs/dbraw/zinc/06/89/21/396068921.db2.gz HKPKXQGKIQSNFP-LNSITVRQSA-N 1 0 315.377 0.951 10 0 DCAERO C[C@H](c1nnnn1C)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000249261864 396004189 /nfs/dbraw/zinc/00/41/89/396004189.db2.gz IADWZPJFXHDJTH-ZIAGYGMSSA-N 1 0 307.446 0.373 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249918717 396013556 /nfs/dbraw/zinc/01/35/56/396013556.db2.gz YEAYVYVQVDSDFG-HOTGVXAUSA-N 1 0 320.437 0.509 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CNC(=O)C1 ZINC000252444673 396018782 /nfs/dbraw/zinc/01/87/82/396018782.db2.gz ZQARRIDMQMARFW-IPYPFGDCSA-N 1 0 316.405 0.544 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCC(=O)N1CCCCC1 ZINC000261979411 396086699 /nfs/dbraw/zinc/08/66/99/396086699.db2.gz ZZMCXBKUJCALCE-SUYBPPKGSA-N 1 0 323.437 0.648 10 0 DCAERO COc1cc(CNC(N)=O)ccc1OC[C@H](O)C[NH2+]C(C)C ZINC000169336707 396090229 /nfs/dbraw/zinc/09/02/29/396090229.db2.gz WASDKWTYNZIMLZ-GFCCVEGCSA-N 1 0 311.382 0.601 10 0 DCAERO Cc1noc(C)c1S(=O)(=O)N[C@@H]1CN(C)C[C@H]1C[NH+](C)C ZINC000169790663 396093397 /nfs/dbraw/zinc/09/33/97/396093397.db2.gz HPFSOYMJBQEMJW-VXGBXAGGSA-N 1 0 316.427 0.062 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(Cc3cccnc3)CC2)CCOCC1 ZINC000262066644 396095510 /nfs/dbraw/zinc/09/55/10/396095510.db2.gz FMMYKTZPZWDIRW-UHFFFAOYSA-N 1 0 304.394 0.234 10 0 DCAERO Cc1nc2cncc(N3CCN(C[C@@]4(C)CC[NH2+]C4)CC3)n2n1 ZINC000262106202 396099960 /nfs/dbraw/zinc/09/99/60/396099960.db2.gz VZMRTZPMDXSCIW-INIZCTEOSA-N 1 0 315.425 0.554 10 0 DCAERO O=C(CC1CCCCC1)N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262453779 396141981 /nfs/dbraw/zinc/14/19/81/396141981.db2.gz FBBZDHNQSGRSDT-GJZGRUSLSA-N 1 0 323.437 0.350 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000262317202 396122856 /nfs/dbraw/zinc/12/28/56/396122856.db2.gz PWSSAFMBABXVNV-IUCAKERBSA-N 1 0 312.420 0.968 10 0 DCAERO CCc1cnc(N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)s1 ZINC000262332802 396125442 /nfs/dbraw/zinc/12/54/42/396125442.db2.gz GWFZCWLAGFWTAV-LBPRGKRZSA-N 1 0 324.450 0.733 10 0 DCAERO COc1ccc(C[C@](C)(O)CNC2=[NH+]CCCN2)cc1OC ZINC000262376594 396132883 /nfs/dbraw/zinc/13/28/83/396132883.db2.gz NHFDJEKAQFSLDR-INIZCTEOSA-N 1 0 307.394 0.936 10 0 DCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174645313 396138489 /nfs/dbraw/zinc/13/84/89/396138489.db2.gz NWEXTYZQMRNTQF-ZIAGYGMSSA-N 1 0 313.442 0.596 10 0 DCAERO CC(C)[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000262425408 396138693 /nfs/dbraw/zinc/13/86/93/396138693.db2.gz SEJUHQCTUKLCFA-IUODEOHRSA-N 1 0 317.393 0.921 10 0 DCAERO [NH3+][C@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 ZINC000261880569 396074730 /nfs/dbraw/zinc/07/47/30/396074730.db2.gz ABQLXWLZJOJBSF-GFCCVEGCSA-N 1 0 306.757 0.783 10 0 DCAERO C[NH2+][C@H](C)Cc1noc(CCOc2ccc(C(N)=O)cc2)n1 ZINC000261876990 396075021 /nfs/dbraw/zinc/07/50/21/396075021.db2.gz VVQFYVJPOSDRCG-SNVBAGLBSA-N 1 0 304.350 0.940 10 0 DCAERO COC(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261879704 396075326 /nfs/dbraw/zinc/07/53/26/396075326.db2.gz ULVOJQMNOVLRKR-HNNXBMFYSA-N 1 0 320.389 0.886 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CCN1CCOC ZINC000261950619 396083592 /nfs/dbraw/zinc/08/35/92/396083592.db2.gz KBUGOLYUCPNZLZ-HUUCEWRRSA-N 1 0 313.442 0.310 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccnc(-n3ccnc3)c2)n1 ZINC000263223595 396206830 /nfs/dbraw/zinc/20/68/30/396206830.db2.gz MJGCJBBIYHDWJC-LBPRGKRZSA-N 1 0 311.349 0.893 10 0 DCAERO C[C@H](NC(=O)C1C[NH2+]C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263237936 396208513 /nfs/dbraw/zinc/20/85/13/396208513.db2.gz BVRHFJHSNOTMPA-LBPRGKRZSA-N 1 0 316.405 0.949 10 0 DCAERO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cn(-c2ccccc2)nn1 ZINC000262560442 396155629 /nfs/dbraw/zinc/15/56/29/396155629.db2.gz QNMLTGBTYKVXIK-STQMWFEESA-N 1 0 315.377 0.823 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000176644805 396158030 /nfs/dbraw/zinc/15/80/30/396158030.db2.gz ADWHXFNUKGRAMM-GHMZBOCLSA-N 1 0 306.366 0.757 10 0 DCAERO C[C@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000262586532 396158870 /nfs/dbraw/zinc/15/88/70/396158870.db2.gz VMHUJIZXOCEBCO-GXTWGEPZSA-N 1 0 309.410 0.082 10 0 DCAERO C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000262586535 396159051 /nfs/dbraw/zinc/15/90/51/396159051.db2.gz VMHUJIZXOCEBCO-TZMCWYRMSA-N 1 0 309.410 0.082 10 0 DCAERO CCCC(=O)NCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176886595 396163005 /nfs/dbraw/zinc/16/30/05/396163005.db2.gz PUYZJYDHEURWFN-ZDUSSCGKSA-N 1 0 313.442 0.454 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000177064681 396165100 /nfs/dbraw/zinc/16/51/00/396165100.db2.gz ITROPVASJADONE-OCCSQVGLSA-N 1 0 304.394 0.656 10 0 DCAERO Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000262656904 396169344 /nfs/dbraw/zinc/16/93/44/396169344.db2.gz CVTJWWHWCMRAOJ-KBMXLJTQSA-N 1 0 317.437 0.989 10 0 DCAERO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263285498 396210859 /nfs/dbraw/zinc/21/08/59/396210859.db2.gz UZCXCUPYGSAVMU-NKWVEPMBSA-N 1 0 315.242 0.263 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177232055 396170162 /nfs/dbraw/zinc/17/01/62/396170162.db2.gz KVHCZGHXBDXOTM-WBVHZDCISA-N 1 0 317.433 0.955 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000262746098 396178756 /nfs/dbraw/zinc/17/87/56/396178756.db2.gz KNIVOQLRMFMDEY-GHMZBOCLSA-N 1 0 317.397 0.517 10 0 DCAERO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263273342 396211356 /nfs/dbraw/zinc/21/13/56/396211356.db2.gz SNMVRNSGERFMAP-WCQYABFASA-N 1 0 317.380 0.601 10 0 DCAERO CC[NH2+]CC1CCN(S(=O)(=O)c2ccnn2CC)CC1 ZINC000262794673 396182911 /nfs/dbraw/zinc/18/29/11/396182911.db2.gz SWFSFFMLOYPOFE-UHFFFAOYSA-N 1 0 300.428 0.913 10 0 DCAERO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177780566 396183229 /nfs/dbraw/zinc/18/32/29/396183229.db2.gz HEBILKFUGVTKMV-VXGBXAGGSA-N 1 0 305.430 0.751 10 0 DCAERO CN(CCCn1ccnc1)C(=O)CNC(=O)c1ccccn1 ZINC000178084304 396188396 /nfs/dbraw/zinc/18/83/96/396188396.db2.gz CFVSUIYBHKNVPH-UHFFFAOYSA-N 1 0 301.350 0.557 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000178305490 396193605 /nfs/dbraw/zinc/19/36/05/396193605.db2.gz SLGXCYHZEHRXJK-CYBMUJFWSA-N 1 0 319.409 0.986 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263066517 396199701 /nfs/dbraw/zinc/19/97/01/396199701.db2.gz WAHZDDVDGJLHTP-RHSMWYFYSA-N 1 0 324.469 0.517 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000263083792 396200475 /nfs/dbraw/zinc/20/04/75/396200475.db2.gz LTQFJQLDYGCXIS-OUAUKWLOSA-N 1 0 310.423 0.962 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710606 396241320 /nfs/dbraw/zinc/24/13/20/396241320.db2.gz ZXEPYHARXCOHFE-HIFRSBDPSA-N 1 0 312.458 0.567 10 0 DCAERO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@H](CO)C2)([NH+](C)C)C1 ZINC000078905639 396257899 /nfs/dbraw/zinc/25/78/99/396257899.db2.gz WGUHQSMCVOHOAZ-YCPHGPKFSA-N 1 0 313.442 0.900 10 0 DCAERO O=C(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)NCC1CC1 ZINC000183779885 396274632 /nfs/dbraw/zinc/27/46/32/396274632.db2.gz KLXFAZUIECLIAP-CQSZACIVSA-N 1 0 308.426 0.782 10 0 DCAERO Cc1nn(C)c(C)c1OCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263319104 396213612 /nfs/dbraw/zinc/21/36/12/396213612.db2.gz ZXRNXTCJCOLILU-NSHDSACASA-N 1 0 306.370 0.575 10 0 DCAERO Cc1ccc([C@@H](C[NH2+][C@@H]2CCNC2=O)N2CCOCC2)s1 ZINC000179068849 396220696 /nfs/dbraw/zinc/22/06/96/396220696.db2.gz LIYXHGKIJLAXDA-CHWSQXEVSA-N 1 0 309.435 0.908 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000184074022 396284374 /nfs/dbraw/zinc/28/43/74/396284374.db2.gz TYWUVPIBYJGLHX-KBPBESRZSA-N 1 0 319.453 0.972 10 0 DCAERO CCOCCOCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184188206 396287622 /nfs/dbraw/zinc/28/76/22/396287622.db2.gz AEBBWRSXOKAQDY-UHFFFAOYSA-N 1 0 315.458 0.572 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cncnc2N(C)C)C1 ZINC000184447537 396296240 /nfs/dbraw/zinc/29/62/40/396296240.db2.gz NLZZMTALJMUDPA-NSHDSACASA-N 1 0 320.397 0.082 10 0 DCAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184715238 396302582 /nfs/dbraw/zinc/30/25/82/396302582.db2.gz MZTWPSXYLZDYGH-CABCVRRESA-N 1 0 306.362 0.645 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC000184820333 396307883 /nfs/dbraw/zinc/30/78/83/396307883.db2.gz NMAFLMRSEMKTJB-CHWSQXEVSA-N 1 0 309.414 0.431 10 0 DCAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000081903957 396309991 /nfs/dbraw/zinc/30/99/91/396309991.db2.gz JAQQDETWPNFOHD-QWHCGFSZSA-N 1 0 301.408 0.757 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(Cc3nc(N(C)C)no3)CC2)CCO1 ZINC000185251829 396322890 /nfs/dbraw/zinc/32/28/90/396322890.db2.gz QMTVIKXEIIFWSD-GFCCVEGCSA-N 1 0 309.414 0.821 10 0 DCAERO CO[C@@H]1CCN(S(=O)(=O)N2CCCCCC2)[C@H](C[NH3+])C1 ZINC000167305348 285717414 /nfs/dbraw/zinc/71/74/14/285717414.db2.gz MQHPLMCQEMLLHX-QWHCGFSZSA-N 1 0 305.444 0.545 10 0 DCAERO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000185913120 396337269 /nfs/dbraw/zinc/33/72/69/396337269.db2.gz WZAZJOZTNBIJRO-CHWSQXEVSA-N 1 0 310.398 0.707 10 0 DCAERO CS(=O)(=O)CCCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186254241 396346414 /nfs/dbraw/zinc/34/64/14/396346414.db2.gz UYAJBDPONYDHJI-ZDUSSCGKSA-N 1 0 317.455 0.691 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)N1CCOCC1 ZINC000186302951 396347470 /nfs/dbraw/zinc/34/74/70/396347470.db2.gz LKNLAGKJMZGXFZ-LBPRGKRZSA-N 1 0 310.398 0.407 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C1 ZINC000285989897 396367710 /nfs/dbraw/zinc/36/77/10/396367710.db2.gz YIAOPKOMTVGOEE-UONOGXRCSA-N 1 0 301.350 0.503 10 0 DCAERO 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YEIGZSHYWRKHIH-CYBMUJFWSA-N 1 0 304.412 0.297 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCS[C@H]2COCC[C@@H]21 ZINC000189741989 396398462 /nfs/dbraw/zinc/39/84/62/396398462.db2.gz QEPMSGWHRYGWNL-STQMWFEESA-N 1 0 320.480 0.618 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CC2CC(O)C2)CC1 ZINC000190120963 396402332 /nfs/dbraw/zinc/40/23/32/396402332.db2.gz JGLIWIKYHFZGCM-DCBWTQNWSA-N 1 0 312.410 0.489 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000190951267 396413452 /nfs/dbraw/zinc/41/34/52/396413452.db2.gz OBBSOXRSKGCJBG-OCCSQVGLSA-N 1 0 319.409 0.610 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[C@H](O)C3)ccn2)CC1 ZINC000191155138 396416056 /nfs/dbraw/zinc/41/60/56/396416056.db2.gz OLYDOZPXOPYVLL-HIFRSBDPSA-N 1 0 318.421 0.724 10 0 DCAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NC[C@@H]1CCCO1 ZINC000191221439 396417514 /nfs/dbraw/zinc/41/75/14/396417514.db2.gz SMTAAPVHILEONP-COMQUAJESA-N 1 0 310.394 0.555 10 0 DCAERO CC(=O)N1CC(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000191878439 396426384 /nfs/dbraw/zinc/42/63/84/396426384.db2.gz YVGIDPSWEAIBNX-MRXNPFEDSA-N 1 0 322.453 0.093 10 0 DCAERO C[C@H]1COCCN1CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000192765176 396437478 /nfs/dbraw/zinc/43/74/78/396437478.db2.gz IWDKABPEZUCNFL-ROUUACIJSA-N 1 0 324.513 0.809 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000192805718 396438143 /nfs/dbraw/zinc/43/81/43/396438143.db2.gz NMYQYKPTXZOUDT-KGLIPLIRSA-N 1 0 302.440 0.913 10 0 DCAERO COc1ccncc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000580985741 396516273 /nfs/dbraw/zinc/51/62/73/396516273.db2.gz OMSBKIDUCVFYIA-UHFFFAOYSA-N 1 0 307.350 0.962 10 0 DCAERO CC(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000580942080 396512499 /nfs/dbraw/zinc/51/24/99/396512499.db2.gz CIXGMGIHUVXMIP-ONGXEEELSA-N 1 0 304.341 0.246 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270082517 396460911 /nfs/dbraw/zinc/46/09/11/396460911.db2.gz 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ZINC000375426496 396742682 /nfs/dbraw/zinc/74/26/82/396742682.db2.gz OFILMAODXBVYOU-NSHDSACASA-N 1 0 322.365 0.416 10 0 DCAERO CN(C(=O)Cn1cnc(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745220 396760350 /nfs/dbraw/zinc/76/03/50/396760350.db2.gz XIKJQYAHOAMROI-AWEZNQCLSA-N 1 0 314.393 0.593 10 0 DCAERO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCc2nccn2C1 ZINC000328638156 396828861 /nfs/dbraw/zinc/82/88/61/396828861.db2.gz OZFLHCPAMQNMCH-CABCVRRESA-N 1 0 308.426 0.070 10 0 DCAERO CNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406282 396863273 /nfs/dbraw/zinc/86/32/73/396863273.db2.gz XDNBWEXDJQXJIS-CYBMUJFWSA-N 1 0 321.377 0.972 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000629590319 396801035 /nfs/dbraw/zinc/80/10/35/396801035.db2.gz UIQGLSADOMXQPV-HYVNUMGLSA-N 1 0 323.389 0.758 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000564854510 396883472 /nfs/dbraw/zinc/88/34/72/396883472.db2.gz QUIIMNTVFVUQOA-UONOGXRCSA-N 1 0 304.456 0.799 10 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/nfs/dbraw/zinc/07/72/65/397077265.db2.gz KLLYZJMWKVYETN-MRXNPFEDSA-N 1 0 308.426 0.700 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380361121 397269910 /nfs/dbraw/zinc/26/99/10/397269910.db2.gz IJEKDELWUMKLIV-NOZJJQNGSA-N 1 0 300.428 0.642 10 0 DCAERO CCc1nc(CN(C)S(=O)(=O)C[C@@H]2C[NH2+]CCO2)cs1 ZINC000380845864 397270563 /nfs/dbraw/zinc/27/05/63/397270563.db2.gz QVORFKUWXJNPHB-NSHDSACASA-N 1 0 319.452 0.456 10 0 DCAERO CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614068278 397374654 /nfs/dbraw/zinc/37/46/54/397374654.db2.gz MEMNCIBXZKNGRW-GOEBONIOSA-N 1 0 311.426 0.303 10 0 DCAERO CCOC(=O)C1(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000613771062 397319459 /nfs/dbraw/zinc/31/94/59/397319459.db2.gz YDZCNCZZDHVGPD-UHFFFAOYSA-N 1 0 323.397 0.910 10 0 DCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602500852 397421298 /nfs/dbraw/zinc/42/12/98/397421298.db2.gz QHNBGNLUDVITGK-UKRRQHHQSA-N 1 0 321.421 0.713 10 0 DCAERO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000459709340 397435612 /nfs/dbraw/zinc/43/56/12/397435612.db2.gz KQKHIWCIOUZEDM-LBPRGKRZSA-N 1 0 324.768 0.869 10 0 DCAERO CC(=O)NC[C@H]1CN(C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000606580113 397683818 /nfs/dbraw/zinc/68/38/18/397683818.db2.gz ANSHLADLPCCJAN-ZDUSSCGKSA-N 1 0 317.349 0.703 10 0 DCAERO C[NH+]1CCC(O)(CNC(=O)Nc2ccc3nccn3c2)CC1 ZINC000607213777 397698471 /nfs/dbraw/zinc/69/84/71/397698471.db2.gz VSMROZFZBZTGMA-UHFFFAOYSA-N 1 0 303.366 0.913 10 0 DCAERO CS[C@H](CO)[C@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478175 397825441 /nfs/dbraw/zinc/82/54/41/397825441.db2.gz PDINYGZLMOGUOZ-CMPLNLGQSA-N 1 0 315.443 0.679 10 0 DCAERO COCC(=O)N1Cc2ccnn2C[C@@H](COCC[NH+](C)C)C1 ZINC000096188990 292179045 /nfs/dbraw/zinc/17/90/45/292179045.db2.gz XKJMWNFOWRWZJH-ZDUSSCGKSA-N 1 0 310.398 0.066 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925847 286069056 /nfs/dbraw/zinc/06/90/56/286069056.db2.gz VZSODMCUPNRJBV-UONOGXRCSA-N 1 0 301.431 0.180 10 0 DCAERO COc1ccc([C@@H]2[C@H](C(=O)NCC3C[NH2+]C3)CC(=O)N2C)cc1 ZINC000261940317 286365732 /nfs/dbraw/zinc/36/57/32/286365732.db2.gz GXFSCNKAIYZYGC-GDBMZVCRSA-N 1 0 317.389 0.550 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCSc1nnnn1C ZINC000068224419 158042245 /nfs/dbraw/zinc/04/22/45/158042245.db2.gz JGKMTIAYLNVSAT-NSHDSACASA-N 1 0 314.459 0.785 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000077793223 158070683 /nfs/dbraw/zinc/07/06/83/158070683.db2.gz OCIXIQUATQUTTN-KBPBESRZSA-N 1 0 300.447 0.737 10 0 DCAERO COc1ccnc(N2CCC(C(=O)NCCC[NH+](C)C)CC2)n1 ZINC000078245981 158071552 /nfs/dbraw/zinc/07/15/52/158071552.db2.gz OQIREILLCDYLDK-UHFFFAOYSA-N 1 0 321.425 0.770 10 0 DCAERO Cn1nccc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000079167479 158078016 /nfs/dbraw/zinc/07/80/16/158078016.db2.gz LCXHICLACPYUJL-UHFFFAOYSA-N 1 0 308.430 0.245 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000091765802 158109756 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158552460 /nfs/dbraw/zinc/55/24/60/158552460.db2.gz SQUGNCBIXLHFAD-GFCCVEGCSA-N 1 0 305.426 0.989 10 0 DCAERO C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@@H]1CCC[NH2+]C1 ZINC000230848009 158625252 /nfs/dbraw/zinc/62/52/52/158625252.db2.gz LFHHQPYOORSYMI-DTWKUNHWSA-N 1 0 306.819 0.740 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3cccnc3)CC[C@H]21 ZINC000248142627 158686898 /nfs/dbraw/zinc/68/68/98/158686898.db2.gz PVSQESDLSIFDBX-HUUCEWRRSA-N 1 0 316.405 0.754 10 0 DCAERO COCc1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261868130 158747608 /nfs/dbraw/zinc/74/76/08/158747608.db2.gz SCAHJPBSWLINMY-QJPTWQEYSA-N 1 0 307.398 0.893 10 0 DCAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000261913863 158753405 /nfs/dbraw/zinc/75/34/05/158753405.db2.gz HVLOWZOMEMMHNZ-IUCAKERBSA-N 1 0 315.370 0.282 10 0 DCAERO C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262056882 158768761 /nfs/dbraw/zinc/76/87/61/158768761.db2.gz NJLKXZICXIWOFR-WSMDXJOWSA-N 1 0 303.428 0.008 10 0 DCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000262074134 158770242 /nfs/dbraw/zinc/77/02/42/158770242.db2.gz BXDSCCARNZPVGH-ZJUUUORDSA-N 1 0 316.304 0.607 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000262373430 158805773 /nfs/dbraw/zinc/80/57/73/158805773.db2.gz LZVVHZVDCJVSKX-YPMHNXCESA-N 1 0 300.362 0.511 10 0 DCAERO O=C(NCc1ccccc1OCC(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262417576 158811660 /nfs/dbraw/zinc/81/16/60/158811660.db2.gz QANUWBQWYIXTCV-QWRGUYRKSA-N 1 0 318.295 0.967 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH2+]CC1 ZINC000262494870 158818486 /nfs/dbraw/zinc/81/84/86/158818486.db2.gz CFSDRUYGKZZPFC-UHFFFAOYSA-N 1 0 316.810 0.982 10 0 DCAERO CN(CC(=O)NC1CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262586239 158828628 /nfs/dbraw/zinc/82/86/28/158828628.db2.gz ZTGITFRASYMORJ-AXAPSJFSSA-N 1 0 309.410 0.256 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000262628715 158830104 /nfs/dbraw/zinc/83/01/04/158830104.db2.gz RUXJEUHKAGACBU-WDEREUQCSA-N 1 0 301.346 0.526 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262712900 158835759 /nfs/dbraw/zinc/83/57/59/158835759.db2.gz FYFOJJSPZQQMJT-JHJVBQTASA-N 1 0 319.409 0.534 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000262853635 158845328 /nfs/dbraw/zinc/84/53/28/158845328.db2.gz KJPPJWFCLCMREM-VIFPVBQESA-N 1 0 322.333 0.985 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000263041710 158854286 /nfs/dbraw/zinc/85/42/86/158854286.db2.gz DTJKENGTYUBAMR-ABAIWWIYSA-N 1 0 314.389 0.590 10 0 DCAERO Cn1cc([C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@H]2CO)cn1 ZINC000328604304 159014540 /nfs/dbraw/zinc/01/45/40/159014540.db2.gz ILZOCTYJTUFYLK-AEGPPILISA-N 1 0 304.394 0.191 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000328648614 159017651 /nfs/dbraw/zinc/01/76/51/159017651.db2.gz AJTIUNWAZCWEFZ-AWEZNQCLSA-N 1 0 303.410 1.000 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000328834296 159033308 /nfs/dbraw/zinc/03/33/08/159033308.db2.gz RZDCKHFRCZUTLT-GJZGRUSLSA-N 1 0 322.453 0.981 10 0 DCAERO Cn1ncnc1[C@@H]1COCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329105730 159062343 /nfs/dbraw/zinc/06/23/43/159062343.db2.gz HFCUKQHJPMPMCB-KBPBESRZSA-N 1 0 319.409 0.589 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnn4ccncc34)[C@@H]2C1 ZINC000329163642 159069775 /nfs/dbraw/zinc/06/97/75/159069775.db2.gz GLFDGMBPAPXIHQ-ZIAGYGMSSA-N 1 0 301.350 0.274 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000329424150 159091768 /nfs/dbraw/zinc/09/17/68/159091768.db2.gz IAFGMQAAHXMNCB-MBNYWOFBSA-N 1 0 317.393 0.315 10 0 DCAERO Cc1nccc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)n1 ZINC000329493978 159097119 /nfs/dbraw/zinc/09/71/19/159097119.db2.gz FDSIKRIRHVQIKQ-CFVMTHIKSA-N 1 0 302.378 0.859 10 0 DCAERO Cn1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(=O)c2ccccc21 ZINC000329502555 159098038 /nfs/dbraw/zinc/09/80/38/159098038.db2.gz YWGUODBQYZSCMM-GFCCVEGCSA-N 1 0 312.373 0.854 10 0 DCAERO CC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000329640722 159108151 /nfs/dbraw/zinc/10/81/51/159108151.db2.gz XGDLRKGLYIYKSO-HNNXBMFYSA-N 1 0 309.435 0.973 10 0 DCAERO C[C@H]1OCCC[C@H]1c1nc(CC(=O)N2CCN(C)CC2)no1 ZINC000329674323 159110868 /nfs/dbraw/zinc/11/08/68/159110868.db2.gz OLZUPPFVCZTFHG-VXGBXAGGSA-N 1 0 308.382 0.669 10 0 DCAERO Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c([C@H]2CCOC2)n1 ZINC000329885159 159125946 /nfs/dbraw/zinc/12/59/46/159125946.db2.gz UFBAXVSAZYKDPQ-FPMFFAJLSA-N 1 0 320.393 0.079 10 0 DCAERO O=C(C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1)N1CCOCC1 ZINC000330102680 159141833 /nfs/dbraw/zinc/14/18/33/159141833.db2.gz FVAPBXFMWCPZOS-HNNXBMFYSA-N 1 0 321.421 0.321 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000330203745 159149849 /nfs/dbraw/zinc/14/98/49/159149849.db2.gz AZSVAQFYYCOJNR-TUKIKUTGSA-N 1 0 309.410 0.223 10 0 DCAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C3CC3)C2=O)n(C)n1 ZINC000330273279 159156337 /nfs/dbraw/zinc/15/63/37/159156337.db2.gz YYALZHVTYGCMRA-KCQAQPDRSA-N 1 0 304.394 0.991 10 0 DCAERO Cc1c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cnn1C ZINC000330308766 159158234 /nfs/dbraw/zinc/15/82/34/159158234.db2.gz TUEZNMDKGJGUEJ-ZBFHGGJFSA-N 1 0 316.409 0.832 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000332918216 159217237 /nfs/dbraw/zinc/21/72/37/159217237.db2.gz ZXIXQSOBSBMTTC-LSDHHAIUSA-N 1 0 324.469 0.435 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000332981832 159218595 /nfs/dbraw/zinc/21/85/95/159218595.db2.gz OSVZVZRADBANIJ-TZMCWYRMSA-N 1 0 308.426 0.779 10 0 DCAERO Cc1nc(CN(C)[C@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)no1 ZINC000364090659 159273616 /nfs/dbraw/zinc/27/36/16/159273616.db2.gz OCBOKMZQSMJNHJ-GFUIURDCSA-N 1 0 307.398 0.529 10 0 DCAERO COc1cc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc(OC)c1C ZINC000366974848 159301528 /nfs/dbraw/zinc/30/15/28/159301528.db2.gz HZPZQVGYOZVTST-DOMZBBRYSA-N 1 0 306.362 0.825 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000368635048 159406934 /nfs/dbraw/zinc/40/69/34/159406934.db2.gz QQKQDXFEFDDWRD-ZDUSSCGKSA-N 1 0 323.418 0.467 10 0 DCAERO COc1ccc(/C=C/C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000370016541 159492296 /nfs/dbraw/zinc/49/22/96/159492296.db2.gz BSTRWYDVPOBOAV-BDHHJBHZSA-N 1 0 318.373 0.916 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407972650 160000023 /nfs/dbraw/zinc/00/00/23/160000023.db2.gz MZEXWKHOMTURQQ-ZDUSSCGKSA-N 1 0 310.442 0.981 10 0 DCAERO CN(C)c1nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc(=O)[nH]1 ZINC000407986076 160003563 /nfs/dbraw/zinc/00/35/63/160003563.db2.gz KMRWYFXWOASMQX-LLVKDONJSA-N 1 0 305.382 0.559 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000407987435 160003957 /nfs/dbraw/zinc/00/39/57/160003957.db2.gz QCBNXBALYJSZIB-RYUDHWBXSA-N 1 0 311.430 0.430 10 0 DCAERO COc1ccc(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408015095 160010961 /nfs/dbraw/zinc/01/09/61/160010961.db2.gz ABEMLRNKWLXIDD-UONOGXRCSA-N 1 0 320.393 0.705 10 0 DCAERO CN(C(=O)N1CCC([NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408016906 160012381 /nfs/dbraw/zinc/01/23/81/160012381.db2.gz JQAXOLJSLUXVJT-GFCCVEGCSA-N 1 0 303.428 0.251 10 0 DCAERO Cc1noc2ncc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)cc12 ZINC000408024634 160014492 /nfs/dbraw/zinc/01/44/92/160014492.db2.gz FCRNFDMIZCCOMT-SNVBAGLBSA-N 1 0 310.379 0.856 10 0 DCAERO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000408064763 160026654 /nfs/dbraw/zinc/02/66/54/160026654.db2.gz WIMNESMMVUKYLR-NSHDSACASA-N 1 0 311.407 0.419 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nc2n1 ZINC000408073204 160029466 /nfs/dbraw/zinc/02/94/66/160029466.db2.gz TYPBGTNMWHRJDD-OLZOCXBDSA-N 1 0 316.409 0.835 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCSC2)C[C@@H]1C ZINC000408105800 160037354 /nfs/dbraw/zinc/03/73/54/160037354.db2.gz QOAHZRAFTRCGGQ-RWMBFGLXSA-N 1 0 301.456 0.979 10 0 DCAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CNC(N)=O)C1)CCCC2 ZINC000408115312 160039435 /nfs/dbraw/zinc/03/94/35/160039435.db2.gz JCUCXSQFCACKHC-LLVKDONJSA-N 1 0 305.382 0.512 10 0 DCAERO Cc1[nH]nc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1C ZINC000408187816 160056156 /nfs/dbraw/zinc/05/61/56/160056156.db2.gz QFPCRIHWQMIXJK-UHFFFAOYSA-N 1 0 322.409 0.326 10 0 DCAERO C[C@H]1CC[C@@H]([N@H+](CCO)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000408209637 160061108 /nfs/dbraw/zinc/06/11/08/160061108.db2.gz VACBZZQDSNVBGI-QWHCGFSZSA-N 1 0 305.440 0.409 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000408214685 160061762 /nfs/dbraw/zinc/06/17/62/160061762.db2.gz OQMOULFQNMFHNW-UONOGXRCSA-N 1 0 320.455 0.538 10 0 DCAERO COC(=O)C1(CS(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000408234179 160065581 /nfs/dbraw/zinc/06/55/81/160065581.db2.gz CQKFTWBONXEJFQ-LBPRGKRZSA-N 1 0 316.423 0.440 10 0 DCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000408246629 160068585 /nfs/dbraw/zinc/06/85/85/160068585.db2.gz OAHVFUMZBAUSFN-BGMSHATGSA-N 1 0 322.409 0.307 10 0 DCAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2cccnn2)CC1 ZINC000408272186 160073757 /nfs/dbraw/zinc/07/37/57/160073757.db2.gz ZARXLFQRBOODPM-KBPBESRZSA-N 1 0 303.410 0.998 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408336022 160087383 /nfs/dbraw/zinc/08/73/83/160087383.db2.gz LRAJDCFZTKKFBK-XQQFMLRXSA-N 1 0 307.460 0.660 10 0 DCAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]c(C)c1C(N)=O ZINC000408411793 160102789 /nfs/dbraw/zinc/10/27/89/160102789.db2.gz KWHGKBCGAFKBEV-LLVKDONJSA-N 1 0 304.394 0.905 10 0 DCAERO CC(=O)N1CC(NC(=O)[C@H]2CCO[C@@H]2C2CC[NH+](C)CC2)C1 ZINC000408473886 160116217 /nfs/dbraw/zinc/11/62/17/160116217.db2.gz PGYNLYBABOFBFJ-LSDHHAIUSA-N 1 0 309.410 0.080 10 0 DCAERO C[C@@H](CN1CCOCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431970 286849239 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O=C([C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1)N1CCOCC1 ZINC000177652607 416150006 /nfs/dbraw/zinc/15/00/06/416150006.db2.gz AIVQQKDUQIGVSG-KGLIPLIRSA-N 1 0 310.394 0.510 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000177711797 416151758 /nfs/dbraw/zinc/15/17/58/416151758.db2.gz MKWSQDRBJCPHNL-INIZCTEOSA-N 1 0 324.469 0.530 10 0 DCAERO O=S(=O)([C@@H]1CC[N@H+](CCCn2ccnc2)C1)N1CCCC1 ZINC000182866447 416233394 /nfs/dbraw/zinc/23/33/94/416233394.db2.gz AVJKGPSORYSKSG-CQSZACIVSA-N 1 0 312.439 0.773 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000179500369 416189686 /nfs/dbraw/zinc/18/96/86/416189686.db2.gz MXIGRHZQBDOCRC-AWXVTKJVSA-N 1 0 303.362 0.780 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000180532845 416197141 /nfs/dbraw/zinc/19/71/41/416197141.db2.gz ZGTGZZCYDQSRGJ-OAHLLOKOSA-N 1 0 305.426 0.430 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCN2CCSCC2)CC1 ZINC000358183917 416208267 /nfs/dbraw/zinc/20/82/67/416208267.db2.gz GBVXBNAGBXGLPA-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/24/94/80/416249480.db2.gz AMYXOPGRVHLCIB-JTQLQIEISA-N 1 0 309.370 0.765 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c(F)c1 ZINC000190033090 416273177 /nfs/dbraw/zinc/27/31/77/416273177.db2.gz FPIABEAEUOJJHE-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO CC(C)[C@H](CNC(=O)NCC1(CCO)CC1)N1CCOCC1 ZINC000190122133 416275480 /nfs/dbraw/zinc/27/54/80/416275480.db2.gz BSYODDISCPEIMW-AWEZNQCLSA-N 1 0 313.442 0.805 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc(C(N)=O)co2)C1 ZINC000190210778 416275822 /nfs/dbraw/zinc/27/58/22/416275822.db2.gz FUNYEWSSOVJHSN-LLVKDONJSA-N 1 0 308.382 0.910 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N(C[C@H](C)O)[C@H](C)CO)CC1 ZINC000190438275 416279214 /nfs/dbraw/zinc/27/92/14/416279214.db2.gz OOBYHQHEHSQNHH-KGLIPLIRSA-N 1 0 315.458 0.882 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3C[C@@H](O)C3(C)C)ccn2)CC1 ZINC000190694171 416281020 /nfs/dbraw/zinc/28/10/20/416281020.db2.gz SATSIDJHQSZRBD-ZIAGYGMSSA-N 1 0 318.421 0.723 10 0 DCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190604283 416281333 /nfs/dbraw/zinc/28/13/33/416281333.db2.gz BPSKQDFSNPZQPK-OAHLLOKOSA-N 1 0 311.426 0.470 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CCO1 ZINC000191870683 416292370 /nfs/dbraw/zinc/29/23/70/416292370.db2.gz YLAPTDGPSDZEPP-DZGCQCFKSA-N 1 0 318.377 0.364 10 0 DCAERO C[NH+](C)C1CCN(CCNC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358942915 416295006 /nfs/dbraw/zinc/29/50/06/416295006.db2.gz VDOYERIATPKPPV-CQSZACIVSA-N 1 0 312.458 0.330 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)C2)[C@H]1c1ccccc1 ZINC000248040779 416333140 /nfs/dbraw/zinc/33/31/40/416333140.db2.gz MATWMXYHXVSSIW-DZGCQCFKSA-N 1 0 302.378 0.573 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC(=O)OC(C)(C)C ZINC000248448727 416333420 /nfs/dbraw/zinc/33/34/20/416333420.db2.gz HVPVINZRXQJRLD-STQMWFEESA-N 1 0 311.426 0.613 10 0 DCAERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)N1 ZINC000248679049 416333993 /nfs/dbraw/zinc/33/39/93/416333993.db2.gz MJWZPKMNCFDILR-WFASDCNBSA-N 1 0 307.325 0.533 10 0 DCAERO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000261566360 416335545 /nfs/dbraw/zinc/33/55/45/416335545.db2.gz GVMUQZJRZMFWQI-DTWKUNHWSA-N 1 0 306.819 0.679 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@H]1CC ZINC000263279519 416337714 /nfs/dbraw/zinc/33/77/14/416337714.db2.gz UCQWMHLIRLPFPV-OLZOCXBDSA-N 1 0 319.396 0.943 10 0 DCAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000263443528 416338072 /nfs/dbraw/zinc/33/80/72/416338072.db2.gz FEXZMASJIMLWQA-CPCZMJQVSA-N 1 0 312.414 0.269 10 0 DCAERO CCOCCCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000194452203 416323278 /nfs/dbraw/zinc/32/32/78/416323278.db2.gz ZZXCTZJBXVZCLZ-AWEZNQCLSA-N 1 0 301.431 0.949 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000245418782 416331075 /nfs/dbraw/zinc/33/10/75/416331075.db2.gz AOYGRTWAGAMKBJ-SYQHCUMBSA-N 1 0 317.455 0.509 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000245428714 416331084 /nfs/dbraw/zinc/33/10/84/416331084.db2.gz JHZIPLVDJQHSCY-XQQFMLRXSA-N 1 0 302.440 0.752 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000245428713 416331188 /nfs/dbraw/zinc/33/11/88/416331188.db2.gz JHZIPLVDJQHSCY-UPJWGTAASA-N 1 0 302.440 0.752 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2c(cnn2C)c1O ZINC000245609927 416331331 /nfs/dbraw/zinc/33/13/31/416331331.db2.gz NQVVPYQZKMHIBI-QWRGUYRKSA-N 1 0 315.377 0.983 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000583619122 416480801 /nfs/dbraw/zinc/48/08/01/416480801.db2.gz LNEKQTGQQUPGNJ-MRXNPFEDSA-N 1 0 318.352 0.824 10 0 DCAERO C[NH+](C)CCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434593871 416486505 /nfs/dbraw/zinc/48/65/05/416486505.db2.gz FRYVVAOKKIRZDD-UHFFFAOYSA-N 1 0 308.382 1.123 10 0 DCAERO COC(=O)C1([N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)CCCC1 ZINC000532741085 416453136 /nfs/dbraw/zinc/45/31/36/416453136.db2.gz BWZIPKMTASJAJT-KBPBESRZSA-N 1 0 315.410 0.961 10 0 DCAERO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000459100411 416523638 /nfs/dbraw/zinc/52/36/38/416523638.db2.gz KDSHTZKFKHZCKT-MRXNPFEDSA-N 1 0 322.453 0.729 10 0 DCAERO O=C(NCCCCC[NH+]1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000458839440 416503583 /nfs/dbraw/zinc/50/35/83/416503583.db2.gz CYHBQEOOCUXHSZ-INIZCTEOSA-N 1 0 324.469 0.979 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)n(C)c1=O ZINC000368225997 416658886 /nfs/dbraw/zinc/65/88/86/416658886.db2.gz YRLQSZXXYXWLBP-HNNXBMFYSA-N 1 0 315.373 0.523 10 0 DCAERO COc1cccc(CCNC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000441452467 416672256 /nfs/dbraw/zinc/67/22/56/416672256.db2.gz WALNREUPBROPSP-UHFFFAOYSA-N 1 0 315.377 0.861 10 0 DCAERO O=C(Cc1cccc(O)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369087326 416722220 /nfs/dbraw/zinc/72/22/20/416722220.db2.gz GWKGADNJSPESLR-HZPDHXFCSA-N 1 0 304.390 0.992 10 0 DCAERO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000369131997 416726385 /nfs/dbraw/zinc/72/63/85/416726385.db2.gz QYMRWUOHOYJXKV-WCQYABFASA-N 1 0 311.451 0.756 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000517057598 416776479 /nfs/dbraw/zinc/77/64/79/416776479.db2.gz QLOAENXXLVQHTC-RQJABVFESA-N 1 0 321.421 0.223 10 0 DCAERO COCCC[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccnc2)CC1 ZINC000369656777 416810527 /nfs/dbraw/zinc/81/05/27/416810527.db2.gz ACHHLZBAODTBMJ-HNNXBMFYSA-N 1 0 307.394 0.686 10 0 DCAERO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000559748074 416821668 /nfs/dbraw/zinc/82/16/68/416821668.db2.gz CEMWJINMVPJHIH-LKFCYVNXSA-N 1 0 305.334 0.468 10 0 DCAERO COC[C@H](C)S(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000631964880 416835709 /nfs/dbraw/zinc/83/57/09/416835709.db2.gz OCYFBCFXNSHHRH-JSGCOSHPSA-N 1 0 300.424 0.901 10 0 DCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000445790561 416898592 /nfs/dbraw/zinc/89/85/92/416898592.db2.gz NFHCCZAIYLYLJR-NEPJUHHUSA-N 1 0 319.361 0.988 10 0 DCAERO Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(C)n1 ZINC000447132747 416966304 /nfs/dbraw/zinc/96/63/04/416966304.db2.gz KZEMVWANAVMEFY-UHFFFAOYSA-N 1 0 313.361 0.682 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616635955 417086963 /nfs/dbraw/zinc/08/69/63/417086963.db2.gz OBKICXNBDYZTJY-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO C[C@@H]([NH2+]C1COCCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000380616375 417087756 /nfs/dbraw/zinc/08/77/56/417087756.db2.gz RBVFSEMZSNXRMC-SNVBAGLBSA-N 1 0 300.380 0.400 10 0 DCAERO OCCOCCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404205089 417119447 /nfs/dbraw/zinc/11/94/47/417119447.db2.gz MNKHSRABKYOAKZ-MSOLQXFVSA-N 1 0 320.433 0.971 10 0 DCAERO CC(=O)c1cccc(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405251985 417124979 /nfs/dbraw/zinc/12/49/79/417124979.db2.gz IOAFRHOEKZCPGR-JKSUJKDBSA-N 1 0 317.389 0.579 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000408424577 417161476 /nfs/dbraw/zinc/16/14/76/417161476.db2.gz WJHHRIJAWBNASS-QWHCGFSZSA-N 1 0 319.409 0.752 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408449534 417162005 /nfs/dbraw/zinc/16/20/05/417162005.db2.gz CYIQTASLABWWMV-YRGRVCCFSA-N 1 0 309.410 0.352 10 0 DCAERO CC1(C)CC[C@@H](CO)[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000621380860 417285869 /nfs/dbraw/zinc/28/58/69/417285869.db2.gz GJQRAUJAZPUKKN-OLZOCXBDSA-N 1 0 304.456 0.751 10 0 DCAERO CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000451042604 417293351 /nfs/dbraw/zinc/29/33/51/417293351.db2.gz WJXYHNXDNMKKFS-QWHCGFSZSA-N 1 0 304.456 0.941 10 0 DCAERO O=S(=O)(Cc1ccon1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643771188 417344996 /nfs/dbraw/zinc/34/49/96/417344996.db2.gz KYMQPKUIMJJKTG-UPJWGTAASA-N 1 0 315.395 0.082 10 0 DCAERO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cccnc1 ZINC000570387841 417346332 /nfs/dbraw/zinc/34/63/32/417346332.db2.gz LMJPFIZQJDFIKR-OAHLLOKOSA-N 1 0 317.349 0.084 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cc1cnn2c1CCCC2 ZINC000633204685 417387451 /nfs/dbraw/zinc/38/74/51/417387451.db2.gz QNKQNIKAOPNNCK-UKRRQHHQSA-N 1 0 320.437 0.675 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC12COC2 ZINC000452270785 417464731 /nfs/dbraw/zinc/46/47/31/417464731.db2.gz ZUVUIWMWEGDXGT-KBPBESRZSA-N 1 0 324.421 0.899 10 0 DCAERO C[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1[NH3+] ZINC000623065112 417536978 /nfs/dbraw/zinc/53/69/78/417536978.db2.gz QVMWNAOQTQNYNK-CBAPKCEASA-N 1 0 324.182 0.911 10 0 DCAERO CC(C)(C)c1nnc2ccc(NC[C@H]3C[NH2+]CCCO3)nn21 ZINC000579817517 417694140 /nfs/dbraw/zinc/69/41/40/417694140.db2.gz MZDCEWWNTKSZRL-LLVKDONJSA-N 1 0 304.398 1.212 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000576957977 417651644 /nfs/dbraw/zinc/65/16/44/417651644.db2.gz UYAXSPLDWYYELK-KTAKPFMOSA-N 1 0 322.453 0.269 10 0 DCAERO 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KAPUSCLPQXDIDK-XSCHDIRWSA-N 1 0 313.442 0.898 10 0 DCAERO C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H](CO)O1 ZINC000191862019 261138213 /nfs/dbraw/zinc/13/82/13/261138213.db2.gz UCGPVXXSYWEZGK-KGLIPLIRSA-N 1 0 322.405 0.849 10 0 DCAERO CCN1CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000233489550 261153898 /nfs/dbraw/zinc/15/38/98/261153898.db2.gz DXTMGYUYVBKKMA-NEPJUHHUSA-N 1 0 304.412 0.295 10 0 DCAERO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000234605553 261154950 /nfs/dbraw/zinc/15/49/50/261154950.db2.gz UBOOMGGTIBXASW-QWHCGFSZSA-N 1 0 318.439 0.684 10 0 DCAERO CC(C)CS(=O)(=O)CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236734907 261156118 /nfs/dbraw/zinc/15/61/18/261156118.db2.gz HBQQORNYPRSIMI-CYBMUJFWSA-N 1 0 304.456 0.953 10 0 DCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000250342421 261166789 /nfs/dbraw/zinc/16/67/89/261166789.db2.gz PZDQLSHTSUCODR-UPJWGTAASA-N 1 0 305.444 0.414 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362274666 262017953 /nfs/dbraw/zinc/01/79/53/262017953.db2.gz FOCJAODZIWSUPW-ZDUSSCGKSA-N 1 0 306.391 0.587 10 0 DCAERO O=C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCc2ccccc21 ZINC000363806995 262131210 /nfs/dbraw/zinc/13/12/10/262131210.db2.gz SMMJZYISHPTUFH-INIZCTEOSA-N 1 0 315.417 0.982 10 0 DCAERO Cc1cc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)no1 ZINC000459908619 272018369 /nfs/dbraw/zinc/01/83/69/272018369.db2.gz QTZFXGYHFYSPMO-UHFFFAOYSA-N 1 0 324.425 0.988 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)CC3(O)CCC3)[C@H]2C1 ZINC000528502049 287718063 /nfs/dbraw/zinc/71/80/63/287718063.db2.gz JAHZHRNQCXVCHD-FZKCQIBNSA-N 1 0 310.438 0.889 10 0 DCAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CN1CCOCC1 ZINC000175181560 274221541 /nfs/dbraw/zinc/22/15/41/274221541.db2.gz VSBRYEFIUDQEGX-JKSUJKDBSA-N 1 0 322.453 0.610 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCNC[C@H]2c2cnn(C)c2)CC1 ZINC000181443850 275936804 /nfs/dbraw/zinc/93/68/04/275936804.db2.gz CGUSRCCIGASAKH-HNNXBMFYSA-N 1 0 305.426 0.625 10 0 DCAERO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000318764174 277089924 /nfs/dbraw/zinc/08/99/24/277089924.db2.gz LOHPRODKBKDVJV-BZUAXINKSA-N 1 0 309.454 0.776 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@@H]2C1 ZINC000329155539 277179981 /nfs/dbraw/zinc/17/99/81/277179981.db2.gz BQRUMBCGSAPOEZ-NXEZZACHSA-N 1 0 318.299 0.974 10 0 DCAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CCOCC1 ZINC000261911083 277303007 /nfs/dbraw/zinc/30/30/07/277303007.db2.gz IZFZTBNYNVBPHV-OAGGEKHMSA-N 1 0 311.470 0.844 10 0 DCAERO CC(C)[C@H]1N(C(=O)NCCN2CC[NH2+]CC2)C[C@]12CCCO2 ZINC000333878906 277968891 /nfs/dbraw/zinc/96/88/91/277968891.db2.gz VWGOEHCYDIDGEW-GDBMZVCRSA-N 1 0 310.442 0.491 10 0 DCAERO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408289333 277983899 /nfs/dbraw/zinc/98/38/99/277983899.db2.gz FGYMODWWWDUWNL-UONOGXRCSA-N 1 0 317.455 0.447 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000545497889 288001325 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/nfs/dbraw/zinc/31/73/24/288317324.db2.gz ZZQJLTMVDGTNIA-CHWSQXEVSA-N 1 0 308.426 0.923 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368063630 289383578 /nfs/dbraw/zinc/38/35/78/289383578.db2.gz LMZFEESCJHPIAF-YNEHKIRRSA-N 1 0 317.455 0.688 10 0 DCAERO CN(CCS(C)(=O)=O)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253246920 289683687 /nfs/dbraw/zinc/68/36/87/289683687.db2.gz SIQMYZFYNWCSKD-MISXGVKJSA-N 1 0 318.439 0.022 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]2C1 ZINC000408058517 290166280 /nfs/dbraw/zinc/16/62/80/290166280.db2.gz BKMSSENWJZPUKS-SDDRHHMPSA-N 1 0 312.414 0.001 10 0 DCAERO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H](C[NH3+])C1 ZINC000230863788 290586909 /nfs/dbraw/zinc/58/69/09/290586909.db2.gz CQMHWWJWDYXBGR-DTWKUNHWSA-N 1 0 306.819 0.821 10 0 DCAERO COC[C@H](C)NC(=O)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113269412 293028568 /nfs/dbraw/zinc/02/85/68/293028568.db2.gz IESUOZXEKLRDNP-YNEHKIRRSA-N 1 0 312.414 0.016 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333565062 295545721 /nfs/dbraw/zinc/54/57/21/295545721.db2.gz LTQNKHFOCBCRIU-YNEHKIRRSA-N 1 0 317.455 0.784 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194554286 300246564 /nfs/dbraw/zinc/24/65/64/300246564.db2.gz QFYUANSXZRPRQW-STQMWFEESA-N 1 0 311.426 0.349 10 0 DCAERO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1cccc2c1OCCO2 ZINC000333698690 304765581 /nfs/dbraw/zinc/76/55/81/304765581.db2.gz QNGICWBWIJPIPL-NSHDSACASA-N 1 0 312.391 0.878 10 0 DCAERO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000570949567 333142159 /nfs/dbraw/zinc/14/21/59/333142159.db2.gz LHIPOTIDVMZHDJ-ZIAGYGMSSA-N 1 0 311.426 0.518 10 0 DCAERO Cc1cc([C@@H](C)O)c2nc(N3CC[NH+](C)CC3)cc(=O)n2c1 ZINC000584654494 337377771 /nfs/dbraw/zinc/37/77/71/337377771.db2.gz AJRGCZUIALYNLG-GFCCVEGCSA-N 1 0 302.378 0.808 10 0 DCAERO CCC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000236856813 521111040 /nfs/dbraw/zinc/11/10/40/521111040.db2.gz ARMCIPCPZDVFML-VIFPVBQESA-N 1 0 305.425 0.270 10 0 DCAERO Cc1noc(C)c1CN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157926397 534355273 /nfs/dbraw/zinc/35/52/73/534355273.db2.gz KMGHVYGHPPSIOL-UHFFFAOYSA-N 1 0 309.410 0.951 10 0 DCAERO CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000191344342 519647614 /nfs/dbraw/zinc/64/76/14/519647614.db2.gz KVLSRCGQKJJHOW-UHFFFAOYSA-N 1 0 318.377 0.034 10 0 DCAERO CCC[C@@H](C(=O)N1CCN(c2nccc(OC)n2)CC1)[NH+](C)C ZINC000161799219 520582394 /nfs/dbraw/zinc/58/23/94/520582394.db2.gz SDYHVWMAEPJLJW-ZDUSSCGKSA-N 1 0 321.425 0.864 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000163389427 520823370 /nfs/dbraw/zinc/82/33/70/520823370.db2.gz WDVBNRDDRKJLHE-NSHDSACASA-N 1 0 322.413 0.328 10 0 DCAERO CCc1ncc(NC(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000119272075 522567272 /nfs/dbraw/zinc/56/72/72/522567272.db2.gz XUURFKSNMVBMJN-UHFFFAOYSA-N 1 0 307.398 0.865 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000246274609 522914186 /nfs/dbraw/zinc/91/41/86/522914186.db2.gz MAEOIHXVQOCKIE-YNEHKIRRSA-N 1 0 321.425 0.965 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(CC)c1 ZINC000190349920 523314532 /nfs/dbraw/zinc/31/45/32/523314532.db2.gz WLZQAOHKQREWLA-UONOGXRCSA-N 1 0 319.409 0.927 10 0 DCAERO COCCN1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1=O ZINC000247309589 523885207 /nfs/dbraw/zinc/88/52/07/523885207.db2.gz NYZJIIYFZIYDHN-MCIONIFRSA-N 1 0 309.410 0.176 10 0 DCAERO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000157933394 524592038 /nfs/dbraw/zinc/59/20/38/524592038.db2.gz SJSOCSIYCRIQLH-GFCCVEGCSA-N 1 0 320.393 0.125 10 0 DCAERO C[C@@H](CO)[N@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000132049341 524784324 /nfs/dbraw/zinc/78/43/24/524784324.db2.gz KGPMBSCCQZPILJ-ZDUSSCGKSA-N 1 0 319.405 0.742 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]n1 ZINC000158504995 524834048 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CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174019820 527837942 /nfs/dbraw/zinc/83/79/42/527837942.db2.gz CPTXPTJEOBQNNM-HZSPNIEDSA-N 1 0 319.471 0.614 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000174072875 528686924 /nfs/dbraw/zinc/68/69/24/528686924.db2.gz TZQNPWZDZXGPII-LSDHHAIUSA-N 1 0 315.458 0.306 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000291037742 536297746 /nfs/dbraw/zinc/29/77/46/536297746.db2.gz ANGCMZNUADZHTL-ZDUSSCGKSA-N 1 0 309.435 0.845 10 0 DCAERO O[C@]1(CNCc2noc(Cc3ccccc3)n2)C[NH2+]CCOC1 ZINC000077387218 545678924 /nfs/dbraw/zinc/67/89/24/545678924.db2.gz XWSPLUVZDBSFIX-INIZCTEOSA-N 1 0 318.377 0.101 10 0 DCAERO CN1CCO[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662468 545719032 /nfs/dbraw/zinc/71/90/32/545719032.db2.gz UIYWQCZZOYQGNA-JTQLQIEISA-N 1 0 303.359 0.017 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136430591 545806617 /nfs/dbraw/zinc/80/66/17/545806617.db2.gz SCOBYJGZFVSMEU-GFCCVEGCSA-N 1 0 305.444 0.290 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000153438483 545831459 /nfs/dbraw/zinc/83/14/59/545831459.db2.gz OMVQLEFYFVVSPV-ZNMIVQPWSA-N 1 0 313.442 0.948 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249156041 545970676 /nfs/dbraw/zinc/97/06/76/545970676.db2.gz YRRLMPHEYSPDNE-ZIAGYGMSSA-N 1 0 304.456 0.941 10 0 DCAERO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261858851 545977704 /nfs/dbraw/zinc/97/77/04/545977704.db2.gz WPSKUBXFBZHTJX-ZIAGYGMSSA-N 1 0 310.442 0.030 10 0 DCAERO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262146493 545979213 /nfs/dbraw/zinc/97/92/13/545979213.db2.gz HNMYLUWIOLVJIF-SMDDNHRTSA-N 1 0 310.781 0.999 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCOCC1 ZINC000262139243 545979251 /nfs/dbraw/zinc/97/92/51/545979251.db2.gz MHXRZMBDVWVNSG-UHFFFAOYSA-N 1 0 305.378 0.549 10 0 DCAERO O=C(CCc1nc(-c2cccs2)no1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262213922 545981324 /nfs/dbraw/zinc/98/13/24/545981324.db2.gz IYFUOBBKDUEBDG-NXEZZACHSA-N 1 0 322.390 0.427 10 0 DCAERO O=C(Cc1csc(-c2ccccn2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262230449 545981370 /nfs/dbraw/zinc/98/13/70/545981370.db2.gz KFEYUTUCZJMMLM-MFKMUULPSA-N 1 0 318.402 0.444 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nnn1-c1cccc(C)c1 ZINC000262242122 545981743 /nfs/dbraw/zinc/98/17/43/545981743.db2.gz LABAASXTMLQOIB-GXTWGEPZSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cs2)o1 ZINC000262291954 545983057 /nfs/dbraw/zinc/98/30/57/545983057.db2.gz OTEBJDSJYXVYHI-JQWIXIFHSA-N 1 0 321.402 0.951 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000262326410 545983493 /nfs/dbraw/zinc/98/34/93/545983493.db2.gz RWAXNOFWBKGQHA-NUEKZKHPSA-N 1 0 320.389 0.555 10 0 DCAERO O=C(CCOc1ccc(F)cc1Cl)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262394290 545985194 /nfs/dbraw/zinc/98/51/94/545985194.db2.gz YDRVVKSKZOZREB-JOYOIKCWSA-N 1 0 316.760 0.945 10 0 DCAERO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NC[C@H]1CCCO1 ZINC000332819947 546061384 /nfs/dbraw/zinc/06/13/84/546061384.db2.gz HREIEOKOCOGDBH-LSDHHAIUSA-N 1 0 323.437 0.616 10 0 DCAERO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000332819946 546061698 /nfs/dbraw/zinc/06/16/98/546061698.db2.gz HREIEOKOCOGDBH-GJZGRUSLSA-N 1 0 323.437 0.616 10 0 DCAERO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333281864 546075878 /nfs/dbraw/zinc/07/58/78/546075878.db2.gz MPSIGJMJLFCANP-VHDGCEQUSA-N 1 0 319.409 0.986 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000333423164 546080751 /nfs/dbraw/zinc/08/07/51/546080751.db2.gz SVURBORBVJYEKA-HZSPNIEDSA-N 1 0 303.410 0.958 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000333423173 546080852 /nfs/dbraw/zinc/08/08/52/546080852.db2.gz SVURBORBVJYEKA-RDBSUJKOSA-N 1 0 303.410 0.958 10 0 DCAERO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000333772550 546091761 /nfs/dbraw/zinc/09/17/61/546091761.db2.gz CFWGKQQIIPGYLW-RYDUCSDGSA-N 1 0 322.413 0.725 10 0 DCAERO CO[C@@]1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC000721254200 662906519 /nfs/dbraw/zinc/90/65/19/662906519.db2.gz HMDUBTFLOYDSBV-GXTWGEPZSA-N 1 0 304.456 0.510 10 0 DCAERO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722315210 660705164 /nfs/dbraw/zinc/70/51/64/660705164.db2.gz PZYILGAHHPOJLY-ZIAGYGMSSA-N 1 0 302.440 0.863 10 0 DCAERO COCc1nocc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094298 661159292 /nfs/dbraw/zinc/15/92/92/661159292.db2.gz ITRILRWZWOQGKI-OLZOCXBDSA-N 1 0 320.353 0.040 10 0 DCAERO COCCN1CC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503556 661283352 /nfs/dbraw/zinc/28/33/52/661283352.db2.gz WCUCOQZZPYHUIG-OLZOCXBDSA-N 1 0 315.414 0.848 10 0 DCAERO CC(C)C[C@@H]1NC(=O)N(CN2CCO[C@@H](C[NH+](C)C)C2)C1=O ZINC000247240880 657528563 /nfs/dbraw/zinc/52/85/63/657528563.db2.gz ZDUVZISSPJYAHW-STQMWFEESA-N 1 0 312.414 0.173 10 0 DCAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC(=O)NC1CC1 ZINC000128665037 657601790 /nfs/dbraw/zinc/60/17/90/657601790.db2.gz LAAHEUXRPUSHGV-CHWSQXEVSA-N 1 0 305.382 0.945 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000725085758 658130146 /nfs/dbraw/zinc/13/01/46/658130146.db2.gz RPZUSKHRQKELFM-CQSZACIVSA-N 1 0 304.456 0.941 10 0 DCAERO Cn1nncc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261635533 658248556 /nfs/dbraw/zinc/24/85/56/658248556.db2.gz FEWQMEDXXFUSOQ-UHFFFAOYSA-N 1 0 309.395 0.007 10 0 DCAERO C[C@]1(CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC[NH2+]C1 ZINC000261695599 658284884 /nfs/dbraw/zinc/28/48/84/658284884.db2.gz BGOGKYSZDVJDRC-KRWDZBQOSA-N 1 0 302.422 0.907 10 0 DCAERO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 ZINC000888077127 658717313 /nfs/dbraw/zinc/71/73/13/658717313.db2.gz LZDJJUCCPKYRDB-RRFJBIMHSA-N 1 0 300.362 0.707 10 0 DCAERO Cc1c([C@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C(N)=O)cnn1C ZINC000888078718 658724509 /nfs/dbraw/zinc/72/45/09/658724509.db2.gz PAVVOMLKUUTLCG-CABCVRRESA-N 1 0 306.410 0.656 10 0 DCAERO Cc1cc(C(=O)NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)nn1C ZINC000888078265 658726406 /nfs/dbraw/zinc/72/64/06/658726406.db2.gz FCNXGFLHPZSWHM-CQSZACIVSA-N 1 0 315.377 0.794 10 0 DCAERO CS(=O)(=O)N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678208 658852635 /nfs/dbraw/zinc/85/26/35/658852635.db2.gz ZZVAFMOPWHLVOY-AGUYFDCRSA-N 1 0 301.456 0.484 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000312525490 659344470 /nfs/dbraw/zinc/34/44/70/659344470.db2.gz NTOQEZSGKWUCGL-BDAKNGLRSA-N 1 0 318.420 0.940 10 0 DCAERO Cn1nccc1C1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261615709 661324527 /nfs/dbraw/zinc/32/45/27/661324527.db2.gz BSHIUNMRZFBDNH-HNNXBMFYSA-N 1 0 306.410 0.880 10 0 DCAERO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178633241 661435559 /nfs/dbraw/zinc/43/55/59/661435559.db2.gz YHNVLMLASMGCRL-GHMZBOCLSA-N 1 0 322.434 0.954 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)O1 ZINC000248865447 661534412 /nfs/dbraw/zinc/53/44/12/661534412.db2.gz AWYYEEJYHJKSAN-RQJABVFESA-N 1 0 310.394 0.650 10 0 DCAERO O=C(NCC1C[NH2+]C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000261940202 661892190 /nfs/dbraw/zinc/89/21/90/661892190.db2.gz GRJHINWOLMUYII-ZDUSSCGKSA-N 1 0 305.403 0.537 10 0 DCAERO CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1c(C)nn(C)c1C ZINC000262219749 662174770 /nfs/dbraw/zinc/17/47/70/662174770.db2.gz UKSAACQDFJEDEF-WFASDCNBSA-N 1 0 323.441 0.704 10 0 DCAERO Cc1c2ccccc2oc(=O)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262419671 662376604 /nfs/dbraw/zinc/37/66/04/662376604.db2.gz ZZEZUKGHWOIPNE-PWSUYJOCSA-N 1 0 302.330 0.412 10 0 DCAERO [NH3+]C1CCN(CCNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000321248647 662628026 /nfs/dbraw/zinc/62/80/26/662628026.db2.gz YXYMNDITPVZJQN-UHFFFAOYSA-N 1 0 301.387 0.527 10 0 DCAERO CCCN1CCC([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721255340 663077540 /nfs/dbraw/zinc/07/75/40/663077540.db2.gz NTRYJXIGUSHLJD-AWEZNQCLSA-N 1 0 304.456 0.654 10 0 DCAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900615562 663261833 /nfs/dbraw/zinc/26/18/33/663261833.db2.gz AAYSNFNYYZRDFZ-WWGRRREGSA-N 1 0 321.425 0.459 10 0 DCAERO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000043428318 663676413 /nfs/dbraw/zinc/67/64/13/663676413.db2.gz SYFSJTRJCFRPAM-ZIAGYGMSSA-N 1 0 302.440 0.959 10 0 DCAERO CC(C)(C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)[NH+]1CCCCC1 ZINC000909199838 663786944 /nfs/dbraw/zinc/78/69/44/663786944.db2.gz UBPZGJVFXDOWMM-MGPQQGTHSA-N 1 0 306.410 0.938 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2cc(Br)cn2)CCO1 ZINC000152967333 664779856 /nfs/dbraw/zinc/77/98/56/664779856.db2.gz SSPWGCDQGDNKBY-LLVKDONJSA-N 1 0 303.204 0.866 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000154226247 665100912 /nfs/dbraw/zinc/10/09/12/665100912.db2.gz ODBNZUHJWSYFAN-LBPRGKRZSA-N 1 0 307.398 0.832 10 0 DCAERO CC[NH+]1CCN(c2ccc(C(=O)NN3CCOCC3)cc2)CC1 ZINC000175159391 665314174 /nfs/dbraw/zinc/31/41/74/665314174.db2.gz FWZCSSQEVFRXFO-UHFFFAOYSA-N 1 0 318.421 0.806 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237745746 665397686 /nfs/dbraw/zinc/39/76/86/665397686.db2.gz OZLDXGVSVURZEB-VIFPVBQESA-N 1 0 306.819 0.741 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000359355143 666275076 /nfs/dbraw/zinc/27/50/76/666275076.db2.gz YZYRULWYYRFCMV-KGLIPLIRSA-N 1 0 311.451 0.995 10 0 DCAERO Cn1nccc1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000185024387 666319538 /nfs/dbraw/zinc/31/95/38/666319538.db2.gz OWTXZFNEMMSUDB-CQSZACIVSA-N 1 0 309.414 0.109 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2cccc3nccn32)C[C@@H]1n1ccnn1 ZINC000862498110 667046182 /nfs/dbraw/zinc/04/61/82/667046182.db2.gz VZIHWEXIBYXVOI-CABCVRRESA-N 1 0 311.393 0.913 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@H]2[NH3+])c1 ZINC000864340734 667245235 /nfs/dbraw/zinc/24/52/35/667245235.db2.gz IAQDRQNQKRDLTF-ZIAGYGMSSA-N 1 0 314.393 0.447 10 0 DCAERO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711707542 667532213 /nfs/dbraw/zinc/53/22/13/667532213.db2.gz NFVVDAMXUOGQRX-NQBHXWOUSA-N 1 0 318.464 0.308 10 0 DCAERO COCCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717062558 668140287 /nfs/dbraw/zinc/14/02/87/668140287.db2.gz AVMFHMFMQDACOF-IUCAKERBSA-N 1 0 304.334 0.564 10 0 DCAERO C[C@@H]1CN(C[C@H](O)c2c(F)cccc2F)CC[N@@H+]1CCO ZINC000187694822 669948391 /nfs/dbraw/zinc/94/83/91/669948391.db2.gz XHHIBYMWOQGNLR-RISCZKNCSA-N 1 0 300.349 0.997 10 0 DCAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nnnn1C1CC1 ZINC000188846754 670054182 /nfs/dbraw/zinc/05/41/82/670054182.db2.gz NPCPCAOHWDPQJD-CMPLNLGQSA-N 1 0 323.401 0.041 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000712685750 670149672 /nfs/dbraw/zinc/14/96/72/670149672.db2.gz BHGYHUXHUDKVSJ-OLZOCXBDSA-N 1 0 303.424 0.739 10 0 DCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000713006073 670152825 /nfs/dbraw/zinc/15/28/25/670152825.db2.gz YXEOVDLEODEKBM-NSHDSACASA-N 1 0 307.460 0.394 10 0 DCAERO COc1c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(C)nn1C ZINC000714359338 670184777 /nfs/dbraw/zinc/18/47/77/670184777.db2.gz JQLRHSAAZJYMBS-NSHDSACASA-N 1 0 301.412 0.794 10 0 DCAERO COc1ccc(OC)c(S(=O)(=O)NCC2CC([NH3+])C2)c1 ZINC000715086417 670203718 /nfs/dbraw/zinc/20/37/18/670203718.db2.gz UHQUVFQXPGHTFS-UHFFFAOYSA-N 1 0 300.380 0.719 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C(F)(F)F ZINC000720804260 685315511 /nfs/dbraw/zinc/31/55/11/685315511.db2.gz IODHAALWEDYHGX-WPRPVWTQSA-N 1 0 309.313 0.839 10 0 DCAERO CC(C)OCCS(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720811970 685315626 /nfs/dbraw/zinc/31/56/26/685315626.db2.gz RWNAHHUKVZOGGP-VHSXEESVSA-N 1 0 318.361 0.810 10 0 DCAERO Cn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000720812359 685315662 /nfs/dbraw/zinc/31/56/62/685315662.db2.gz UFQFSVLJBSXMHG-APPZFPTMSA-N 1 0 312.317 0.178 10 0 DCAERO [NH3+]C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720845123 685315756 /nfs/dbraw/zinc/31/57/56/685315756.db2.gz PQUDWPJXMKOSRI-BQBZGAKWSA-N 1 0 307.238 0.734 10 0 DCAERO COC[C@H](C)S(=O)(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720205287 685312243 /nfs/dbraw/zinc/31/22/43/685312243.db2.gz USVGUSKUGDLYFH-NWDGAFQWSA-N 1 0 306.428 0.099 10 0 DCAERO O=C(C[C@@H]1C[NH2+]CCO1)NCCOC(F)(F)C(F)(F)F ZINC000720298301 685312791 /nfs/dbraw/zinc/31/27/91/685312791.db2.gz QVHILXIATQYSLV-SSDOTTSWSA-N 1 0 306.231 0.653 10 0 DCAERO O=C(NCCOC(F)(F)C(F)(F)F)[C@H]1C[NH2+]CCOC1 ZINC000720342718 685313302 /nfs/dbraw/zinc/31/33/02/685313302.db2.gz VXNVZKRKTNBMMF-ZETCQYMHSA-N 1 0 306.231 0.510 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720801882 685314629 /nfs/dbraw/zinc/31/46/29/685314629.db2.gz BJNDYGMFBOMZRX-BDAKNGLRSA-N 1 0 303.350 0.640 10 0 DCAERO CCCn1nccc1C[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000721231697 685318388 /nfs/dbraw/zinc/31/83/88/685318388.db2.gz 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/nfs/dbraw/zinc/23/70/18/685237018.db2.gz PGDOZDQXVLGFES-SECBINFHSA-N 1 0 304.188 0.707 10 0 DCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000081364433 1174569742 /nfs/dbraw/zinc/56/97/42/1174569742.db2.gz YDXKDHNZLDPPHJ-NWDGAFQWSA-N 1 0 310.398 0.165 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000248579385 1183422180 /nfs/dbraw/zinc/42/21/80/1183422180.db2.gz ICWVDNVETLHZNL-AMXDTQDGSA-N 1 0 323.418 0.573 10 0 DCAERO COc1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1NC(C)=O ZINC000262288600 1185165456 /nfs/dbraw/zinc/16/54/56/1185165456.db2.gz YGIQARKOJKMEEC-CYBMUJFWSA-N 1 0 321.377 0.648 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403684235 747343449 /nfs/dbraw/zinc/34/34/49/747343449.db2.gz BHTVDPWRMLXCDK-HSTDOPHLSA-N 1 0 306.453 0.321 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000076669683 185030769 /nfs/dbraw/zinc/03/07/69/185030769.db2.gz MQWICHCJFHWZFJ-GFCCVEGCSA-N 1 0 316.427 0.118 10 0 DCAERO 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Cn1ncc2c1nc(N1CCC([C@H]3CCC[NH2+]3)CC1)nc2N ZINC000333584198 282843341 /nfs/dbraw/zinc/84/33/41/282843341.db2.gz UMMOTPDZOCROFH-GFCCVEGCSA-N 1 0 301.398 0.914 10 0 DCAERO CNC(=O)c1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000173109894 198185805 /nfs/dbraw/zinc/18/58/05/198185805.db2.gz NSDSGDPTAQKPTQ-UHFFFAOYSA-N 1 0 319.405 0.888 10 0 DCAERO C[N@@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccccc1 ZINC000180145467 283047433 /nfs/dbraw/zinc/04/74/33/283047433.db2.gz XOXHZZCMAWFGMQ-DOMZBBRYSA-N 1 0 307.419 0.767 10 0 DCAERO COc1cc2[nH]c(=O)n(CCC[NH+](C)C)c(=O)c2cc1OC ZINC000073658046 191337492 /nfs/dbraw/zinc/33/74/92/191337492.db2.gz MYSDGQALSITDKH-UHFFFAOYSA-N 1 0 307.350 0.659 10 0 DCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCSCc1ccccc1 ZINC000077522452 191732190 /nfs/dbraw/zinc/73/21/90/191732190.db2.gz ZJXONUGXIAJKBS-KGLIPLIRSA-N 1 0 321.446 0.984 10 0 DCAERO CN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000248145000 283128549 /nfs/dbraw/zinc/12/85/49/283128549.db2.gz 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ZINC000187186933 200074796 /nfs/dbraw/zinc/07/47/96/200074796.db2.gz GZJKWNAAJGQGRF-MLGOLLRUSA-N 1 0 311.426 0.648 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC1([NH+](C)C)CCC1 ZINC000186963636 237336051 /nfs/dbraw/zinc/33/60/51/237336051.db2.gz ACHVYGPYHJTZPP-ZDUSSCGKSA-N 1 0 324.469 0.528 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188628483 200278083 /nfs/dbraw/zinc/27/80/83/200278083.db2.gz PVRWXJWLKZCPLH-VIFPVBQESA-N 1 0 316.409 0.767 10 0 DCAERO CC(C)(O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000156575071 291225024 /nfs/dbraw/zinc/22/50/24/291225024.db2.gz FECCFVWKGDRMKC-UHFFFAOYSA-N 1 0 323.412 0.944 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)CC1=O ZINC000158917504 291232614 /nfs/dbraw/zinc/23/26/14/291232614.db2.gz BOJNHRDABAWMJV-APIJFGDWSA-N 1 0 323.437 0.613 10 0 DCAERO CCN(CCc1nccs1)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000159171052 291233927 /nfs/dbraw/zinc/23/39/27/291233927.db2.gz XEMIVZPHUCRRCQ-NSHDSACASA-N 1 0 312.439 0.600 10 0 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194051251 /nfs/dbraw/zinc/05/12/51/194051251.db2.gz RUJYGRLBMIUZLH-LBPRGKRZSA-N 1 0 317.393 0.344 10 0 DCAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(-n2nc(C)cc2C)n1 ZINC000045947475 183539053 /nfs/dbraw/zinc/53/90/53/183539053.db2.gz KUXFSXFKIFQXSW-LBPRGKRZSA-N 1 0 302.382 0.963 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)CC1)c1cccc(F)c1 ZINC000105082990 194070113 /nfs/dbraw/zinc/07/01/13/194070113.db2.gz IBLXUAOOIULBBL-CQSZACIVSA-N 1 0 322.384 0.960 10 0 DCAERO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874090 194153248 /nfs/dbraw/zinc/15/32/48/194153248.db2.gz NILOPGAVZWIDJK-STQMWFEESA-N 1 0 323.441 0.847 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000106454280 194216404 /nfs/dbraw/zinc/21/64/04/194216404.db2.gz UBIGEOOMYUUVTJ-KRWDZBQOSA-N 1 0 319.449 0.998 10 0 DCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061655414 184181366 /nfs/dbraw/zinc/18/13/66/184181366.db2.gz DWOFRLAVFUVNOE-SECBINFHSA-N 1 0 305.425 0.460 10 0 DCAERO 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395836853 /nfs/dbraw/zinc/83/68/53/395836853.db2.gz RJBFRHWIYQCRDU-GFCCVEGCSA-N 1 0 310.442 0.138 10 0 DCAERO COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000116888688 395847880 /nfs/dbraw/zinc/84/78/80/395847880.db2.gz VQWGMUQVPJXGQB-NSHDSACASA-N 1 0 302.371 0.958 10 0 DCAERO Cc1ccc(-n2nnnc2N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000108951626 395795696 /nfs/dbraw/zinc/79/56/96/395795696.db2.gz YXYSTBOQCCTTOS-AWEZNQCLSA-N 1 0 302.382 0.738 10 0 DCAERO Cc1ccnc(NCC(=O)N2CC[NH2+]CC2)c1Br ZINC000235930565 395893351 /nfs/dbraw/zinc/89/33/51/395893351.db2.gz FTDMMNCWCOCKCR-UHFFFAOYSA-N 1 0 313.199 0.996 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236647699 395894962 /nfs/dbraw/zinc/89/49/62/395894962.db2.gz HTHANTQMYWSZMB-LLVKDONJSA-N 1 0 304.350 0.133 10 0 DCAERO NS(=O)(=O)c1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307503 395896679 /nfs/dbraw/zinc/89/66/79/395896679.db2.gz PETCDKNBJSUDLD-LBPRGKRZSA-N 1 0 311.407 0.340 10 0 DCAERO CCC[NH2+]CCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000054266570 395896893 /nfs/dbraw/zinc/89/68/93/395896893.db2.gz MIRFOKSGYHWIOA-UHFFFAOYSA-N 1 0 318.395 0.961 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000245467160 395929879 /nfs/dbraw/zinc/92/98/79/395929879.db2.gz JWXVBUKMFDBRST-HIFRSBDPSA-N 1 0 305.426 0.942 10 0 DCAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054887024 395907399 /nfs/dbraw/zinc/90/73/99/395907399.db2.gz SWQGTOBFPMNGMI-CQSZACIVSA-N 1 0 311.426 0.426 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245497147 395930546 /nfs/dbraw/zinc/93/05/46/395930546.db2.gz SVSCPOCMHCIMFY-MCIONIFRSA-N 1 0 311.426 0.611 10 0 DCAERO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCS1(=O)=O ZINC000126893247 395914470 /nfs/dbraw/zinc/91/44/70/395914470.db2.gz HPRCOKWJFIPCSR-RYUDHWBXSA-N 1 0 303.428 0.157 10 0 DCAERO CCNC(=O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000128000218 395916859 /nfs/dbraw/zinc/91/68/59/395916859.db2.gz 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ZINC000058356367 395953040 /nfs/dbraw/zinc/95/30/40/395953040.db2.gz LHGBGYYCIZKTLC-KGLIPLIRSA-N 1 0 313.409 0.973 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246832329 395958506 /nfs/dbraw/zinc/95/85/06/395958506.db2.gz CUHOQHQAUHEQOZ-VXGBXAGGSA-N 1 0 303.428 0.299 10 0 DCAERO CCCNC(=O)NC(=O)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000247046897 395964975 /nfs/dbraw/zinc/96/49/75/395964975.db2.gz FCWUJYSQENUIOI-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247237186 395969663 /nfs/dbraw/zinc/96/96/63/395969663.db2.gz XNNUUAFNFCUZNA-LSDHHAIUSA-N 1 0 310.442 0.444 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1cccnc1 ZINC000151295286 395983536 /nfs/dbraw/zinc/98/35/36/395983536.db2.gz VXGIEJXCLDCTJI-CYBMUJFWSA-N 1 0 304.394 0.802 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCn2ccnc2)CC[N@@H+]1C[C@H](C)O ZINC000248373786 395985271 /nfs/dbraw/zinc/98/52/71/395985271.db2.gz LJIGSFFZMSANEG-UONOGXRCSA-N 1 0 309.414 0.370 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H](COC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445625 395988220 /nfs/dbraw/zinc/98/82/20/395988220.db2.gz CDKFBOIAHTUWSA-CFVMTHIKSA-N 1 0 313.442 0.898 10 0 DCAERO CCOC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248588178 395990061 /nfs/dbraw/zinc/99/00/61/395990061.db2.gz WZAZJOZTNBIJRO-STQMWFEESA-N 1 0 310.398 0.707 10 0 DCAERO O=C(COc1ccccc1O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000151707194 395990429 /nfs/dbraw/zinc/99/04/29/395990429.db2.gz PJAXAHNDQOBTEE-CYBMUJFWSA-N 1 0 306.362 0.750 10 0 DCAERO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248614634 395990922 /nfs/dbraw/zinc/99/09/22/395990922.db2.gz RHHHXLMHQUZELI-TZMCWYRMSA-N 1 0 317.455 0.388 10 0 DCAERO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000248634230 395992134 /nfs/dbraw/zinc/99/21/34/395992134.db2.gz XHBHEZUDCRBBOD-IUODEOHRSA-N 1 0 300.399 0.273 10 0 DCAERO COCCOCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000153836325 396026449 /nfs/dbraw/zinc/02/64/49/396026449.db2.gz 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ZINC000261782973 396065847 /nfs/dbraw/zinc/06/58/47/396065847.db2.gz LGXXNLIECVWTGQ-OKILXGFUSA-N 1 0 309.410 0.083 10 0 DCAERO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@H]3C[NH2+]C[C@H]3CC1)CS2 ZINC000261791282 396066668 /nfs/dbraw/zinc/06/66/68/396066668.db2.gz LXQLPLBOPGJCGP-ZWUHOBOKSA-N 1 0 323.462 0.898 10 0 DCAERO CNC(=O)CN1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000261797379 396067336 /nfs/dbraw/zinc/06/73/36/396067336.db2.gz YIYLJPPGNHZLOP-UHFFFAOYSA-N 1 0 304.394 0.086 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249147173 396003660 /nfs/dbraw/zinc/00/36/60/396003660.db2.gz GOEVNJAMBONFAP-ZYHUDNBSSA-N 1 0 305.382 0.362 10 0 DCAERO COCC[NH2+]CCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000152419060 396009068 /nfs/dbraw/zinc/00/90/68/396009068.db2.gz VBJWKHMYZQJOEJ-UHFFFAOYSA-N 1 0 308.378 0.743 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)C1=O ZINC000152469414 396010426 /nfs/dbraw/zinc/01/04/26/396010426.db2.gz FBYGQWLNSSPLSA-ZDUSSCGKSA-N 1 0 318.377 0.865 10 0 DCAERO 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/nfs/dbraw/zinc/11/63/27/396116327.db2.gz KEVDVLKWQHDVLR-UHFFFAOYSA-N 1 0 322.413 0.483 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)CC1)c1cccs1 ZINC000171574495 396118469 /nfs/dbraw/zinc/11/84/69/396118469.db2.gz MTEIPWDVOLSDFC-LLVKDONJSA-N 1 0 310.423 0.882 10 0 DCAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCNC(=O)CC1 ZINC000171574519 396119072 /nfs/dbraw/zinc/11/90/72/396119072.db2.gz MXJDYZZEHKETHE-CYBMUJFWSA-N 1 0 320.393 0.948 10 0 DCAERO C[C@@H](C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000262309259 396121372 /nfs/dbraw/zinc/12/13/72/396121372.db2.gz CSGLETYRSARVAC-KQTLUZQSSA-N 1 0 309.454 0.942 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]C1(CO)CCOCC1 ZINC000278562589 396132052 /nfs/dbraw/zinc/13/20/52/396132052.db2.gz WJWNYJKMUOBYRK-UHFFFAOYSA-N 1 0 304.188 0.814 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000262412708 396137493 /nfs/dbraw/zinc/13/74/93/396137493.db2.gz DGJCPSWFDTXQRL-MRXNPFEDSA-N 1 0 315.417 0.997 10 0 DCAERO 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KDVROHDTLTXXSX-GXSJLCMTSA-N 1 0 306.288 0.206 10 0 DCAERO CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000176387606 396154547 /nfs/dbraw/zinc/15/45/47/396154547.db2.gz CLSYJNUJFUEJLY-UKRRQHHQSA-N 1 0 304.394 0.621 10 0 DCAERO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cn(-c2ccccc2)nn1 ZINC000262560440 396155201 /nfs/dbraw/zinc/15/52/01/396155201.db2.gz QNMLTGBTYKVXIK-OLZOCXBDSA-N 1 0 315.377 0.823 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000176499229 396156472 /nfs/dbraw/zinc/15/64/72/396156472.db2.gz DCFVVQWEDAMLQN-AWEZNQCLSA-N 1 0 320.393 0.706 10 0 DCAERO CCC([NH3+])(CC)CNC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000262606518 396161258 /nfs/dbraw/zinc/16/12/58/396161258.db2.gz BJSLAYMKYVZBBN-UHFFFAOYSA-N 1 0 305.386 0.423 10 0 DCAERO CC(C)COC[C@@H](O)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262738046 396177236 /nfs/dbraw/zinc/17/72/36/396177236.db2.gz IWUAZJRVPQQOPT-KGLIPLIRSA-N 1 0 324.425 0.571 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262831347 396186325 /nfs/dbraw/zinc/18/63/25/396186325.db2.gz QJGAHAIGBXZYAI-JQWIXIFHSA-N 1 0 316.361 0.216 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075962079 396190891 /nfs/dbraw/zinc/19/08/91/396190891.db2.gz MFLDMHDWQPTZRV-ZNMIVQPWSA-N 1 0 313.442 0.011 10 0 DCAERO CNC(=O)[C@H](NC(=O)NCC[N@H+](C)CCCOC)C(C)C ZINC000178444218 396196843 /nfs/dbraw/zinc/19/68/43/396196843.db2.gz QTGIIHGYKLECRD-GFCCVEGCSA-N 1 0 302.419 0.025 10 0 DCAERO COc1ccc(-c2n[nH]cc2CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263149354 396203818 /nfs/dbraw/zinc/20/38/18/396203818.db2.gz CYSAKTLOKVLMKH-WFASDCNBSA-N 1 0 302.378 0.755 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1ccnn1 ZINC000182723722 396253252 /nfs/dbraw/zinc/25/32/52/396253252.db2.gz GYHJDZSLTONYHG-CYBMUJFWSA-N 1 0 310.402 0.078 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)[C@]2(C)CCC[NH2+]2)ccc1C ZINC000079514846 396265957 /nfs/dbraw/zinc/26/59/57/396265957.db2.gz ZOETZYSGLHPMAL-AWEZNQCLSA-N 1 0 311.407 0.984 10 0 DCAERO C[C@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079520478 396266972 /nfs/dbraw/zinc/26/69/72/396266972.db2.gz VFVHASZCMAPGIZ-CQSZACIVSA-N 1 0 311.407 0.135 10 0 DCAERO COc1cccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000183593843 396272054 /nfs/dbraw/zinc/27/20/54/396272054.db2.gz HOYBDXBXLVILLU-ZDUSSCGKSA-N 1 0 305.378 0.635 10 0 DCAERO CCN(CC(=O)NC(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183756367 396274501 /nfs/dbraw/zinc/27/45/01/396274501.db2.gz ZGZHYJYNZNVRBL-AWEZNQCLSA-N 1 0 304.394 0.778 10 0 DCAERO Cc1ccc(C(=O)N2CCC(NC(=O)C3C[NH2+]C3)CC2)cc1 ZINC000263327185 396214306 /nfs/dbraw/zinc/21/43/06/396214306.db2.gz TVMQCJJWNCCQPF-UHFFFAOYSA-N 1 0 301.390 0.935 10 0 DCAERO Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@](C)(C(N)=O)C3)C2=O)n(C)n1 ZINC000280769376 396220381 /nfs/dbraw/zinc/22/03/81/396220381.db2.gz PBQFXCGIDJXWKF-IAQYHMDHSA-N 1 0 305.382 0.031 10 0 DCAERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185150378 396319346 /nfs/dbraw/zinc/31/93/46/396319346.db2.gz OQCMTLCUWLCJFU-HZPDHXFCSA-N 1 0 306.406 0.851 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1nc2ccccn2n1 ZINC000184396585 396294477 /nfs/dbraw/zinc/29/44/77/396294477.db2.gz VTYQNUKDNKHHRS-GFCCVEGCSA-N 1 0 318.381 0.698 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cncnc2N(C)C)C1 ZINC000184447557 396296117 /nfs/dbraw/zinc/29/61/17/396296117.db2.gz NLZZMTALJMUDPA-LLVKDONJSA-N 1 0 320.397 0.082 10 0 DCAERO CNC(=O)CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000184516000 396297455 /nfs/dbraw/zinc/29/74/55/396297455.db2.gz LNZLTAITEICAQX-OKILXGFUSA-N 1 0 310.442 0.140 10 0 DCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)NCc1ccccc1Cl ZINC000184720649 396302734 /nfs/dbraw/zinc/30/27/34/396302734.db2.gz GYDLBNWZCXUSQA-CHWSQXEVSA-N 1 0 312.797 0.774 10 0 DCAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184740474 396304647 /nfs/dbraw/zinc/30/46/47/396304647.db2.gz QSZSWGOLPUITKB-DAXOMENPSA-N 1 0 304.390 0.387 10 0 DCAERO O[C@H](CN1CCOCC1)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185464497 396328325 /nfs/dbraw/zinc/32/83/25/396328325.db2.gz DZFJJTIGYMZLOX-KRWDZBQOSA-N 1 0 320.433 0.663 10 0 DCAERO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2[NH3+])C1=O ZINC000185405901 396326750 /nfs/dbraw/zinc/32/67/50/396326750.db2.gz VCDGZIMNRHZMBC-ZIBATOQPSA-N 1 0 308.382 0.093 10 0 DCAERO Cn1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1OC(F)F ZINC000185591891 396330618 /nfs/dbraw/zinc/33/06/18/396330618.db2.gz NJBWBROFRMTINC-SECBINFHSA-N 1 0 318.324 0.424 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000185623155 396331761 /nfs/dbraw/zinc/33/17/61/396331761.db2.gz GHSRZCAPELALAP-NSHDSACASA-N 1 0 314.430 0.119 10 0 DCAERO CN1C[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CCC1=O ZINC000185931402 396337823 /nfs/dbraw/zinc/33/78/23/396337823.db2.gz CRNNKZJWSMYIAK-CHWSQXEVSA-N 1 0 309.797 0.947 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000186729889 396356952 /nfs/dbraw/zinc/35/69/52/396356952.db2.gz WNFYFQDEMSGSBN-UHFFFAOYSA-N 1 0 319.405 0.978 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000187490220 396370688 /nfs/dbraw/zinc/37/06/88/396370688.db2.gz JBCABFKTCILHLS-ZYHUDNBSSA-N 1 0 306.410 0.532 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n(C)c1=O ZINC000187766074 396373823 /nfs/dbraw/zinc/37/38/23/396373823.db2.gz QHMKLRSBJDZSED-KGLIPLIRSA-N 1 0 317.393 0.554 10 0 DCAERO O=C(CCC(=O)N1CCOCC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186497372 396351126 /nfs/dbraw/zinc/35/11/26/396351126.db2.gz GPVQRVFVZGRTKA-CYBMUJFWSA-N 1 0 309.410 0.368 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193059086 396443088 /nfs/dbraw/zinc/44/30/88/396443088.db2.gz KUKWAJYKTFWNQJ-ZIAGYGMSSA-N 1 0 314.426 0.955 10 0 DCAERO CN(C)C(=O)N1CCC(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000188623619 396383783 /nfs/dbraw/zinc/38/37/83/396383783.db2.gz SYSLMFXFLXZUSF-UHFFFAOYSA-N 1 0 308.426 0.687 10 0 DCAERO CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000188684417 396384965 /nfs/dbraw/zinc/38/49/65/396384965.db2.gz ZLTDSQHMQIOVDJ-GXSJLCMTSA-N 1 0 312.345 0.820 10 0 DCAERO O=C(NC[C@H](CO)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188938662 396389125 /nfs/dbraw/zinc/38/91/25/396389125.db2.gz QXBMNLOXZIEEDA-GFCCVEGCSA-N 1 0 300.362 0.561 10 0 DCAERO Cc1cccc([C@H](O)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188957572 396389244 /nfs/dbraw/zinc/38/92/44/396389244.db2.gz ZBSJQFVAPXERFU-CQSZACIVSA-N 1 0 300.362 0.827 10 0 DCAERO C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000189098345 396390556 /nfs/dbraw/zinc/39/05/56/396390556.db2.gz QQOMQZIMYXXURI-VIFPVBQESA-N 1 0 304.334 0.579 10 0 DCAERO Cn1cc([C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)C2)cn1 ZINC000189626063 396396898 /nfs/dbraw/zinc/39/68/98/396396898.db2.gz YAFZVQVALOBRKZ-ZDUSSCGKSA-N 1 0 312.439 0.635 10 0 DCAERO COc1ccc(CNC(=O)C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000189779052 396399043 /nfs/dbraw/zinc/39/90/43/396399043.db2.gz RCDCVXAXXLRTLN-UHFFFAOYSA-N 1 0 322.405 0.785 10 0 DCAERO O=C(NC1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC000190343895 396405200 /nfs/dbraw/zinc/40/52/00/396405200.db2.gz IEKPWVXHJGGHKO-UHFFFAOYSA-N 1 0 320.437 0.781 10 0 DCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000192111517 396430055 /nfs/dbraw/zinc/43/00/55/396430055.db2.gz AFQGNYCVUIYAHA-ZIAGYGMSSA-N 1 0 324.469 0.372 10 0 DCAERO CCCN1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1=O ZINC000192943486 396440912 /nfs/dbraw/zinc/44/09/12/396440912.db2.gz GZQVPDLBKRTXNZ-UHFFFAOYSA-N 1 0 317.455 0.356 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000187898054 396376135 /nfs/dbraw/zinc/37/61/35/396376135.db2.gz GUNRUPJORQBSGX-QWHCGFSZSA-N 1 0 306.366 0.234 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000286164008 396378088 /nfs/dbraw/zinc/37/80/88/396378088.db2.gz OXYJWEBDKNSJOH-UHFFFAOYSA-N 1 0 317.368 0.979 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000193269738 396447379 /nfs/dbraw/zinc/44/73/79/396447379.db2.gz CYXQUZUZKUTREJ-KGLIPLIRSA-N 1 0 319.405 0.910 10 0 DCAERO NC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000193255402 396447497 /nfs/dbraw/zinc/44/74/97/396447497.db2.gz LEWVCLFQMJCYOS-JSGCOSHPSA-N 1 0 307.369 0.810 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193413563 396450868 /nfs/dbraw/zinc/45/08/68/396450868.db2.gz NIPDJRUCTBGUQF-QWRGUYRKSA-N 1 0 314.407 0.980 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000291037740 396477795 /nfs/dbraw/zinc/47/77/95/396477795.db2.gz ANGCMZNUADZHTL-CYBMUJFWSA-N 1 0 309.435 0.845 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000372472053 396520536 /nfs/dbraw/zinc/52/05/36/396520536.db2.gz LCPRMGCGSJOMAQ-RFGFWPKPSA-N 1 0 308.426 0.589 10 0 DCAERO C[NH+](C)CC1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCCC1 ZINC000373378914 396587837 /nfs/dbraw/zinc/58/78/37/396587837.db2.gz RSHXEBUDZHENJB-OAHLLOKOSA-N 1 0 324.469 0.834 10 0 DCAERO Cc1cc(N2CCC([NH2+]Cc3cnn(C)n3)CC2)nc(C)n1 ZINC000293589000 396619386 /nfs/dbraw/zinc/61/93/86/396619386.db2.gz OFLUNVGBMOSQDL-UHFFFAOYSA-N 1 0 301.398 0.981 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@@H](C)N2CCO[C@H](C3CC3)C2)CC1 ZINC000375346056 396729955 /nfs/dbraw/zinc/72/99/55/396729955.db2.gz XFIVANVYIHHFKB-DOMZBBRYSA-N 1 0 324.421 0.897 10 0 DCAERO CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1nccn1C ZINC000328625051 396824261 /nfs/dbraw/zinc/82/42/61/396824261.db2.gz KIOXZUAKGGZHMT-AWEZNQCLSA-N 1 0 307.442 0.966 10 0 DCAERO Cc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)nn1C ZINC000328654391 396831330 /nfs/dbraw/zinc/83/13/30/396831330.db2.gz XIYODDOIEVUHIS-CQSZACIVSA-N 1 0 306.410 0.911 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCN1C1CC[NH+](C)CC1 ZINC000329079032 396837423 /nfs/dbraw/zinc/83/74/23/396837423.db2.gz BVKLZZBKUHSTQJ-JSGCOSHPSA-N 1 0 308.426 0.732 10 0 DCAERO Cc1ncc2n1CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)C2 ZINC000329225757 396841630 /nfs/dbraw/zinc/84/16/30/396841630.db2.gz GSAFJSSQOBRXFD-IVMMDQJWSA-N 1 0 320.437 0.667 10 0 DCAERO c1cc(N2CCO[C@@]3(CCCOC3)C2)nc(N2CCOCC2)n1 ZINC000376195834 396891837 /nfs/dbraw/zinc/89/18/37/396891837.db2.gz AKVYVKSLJQONAG-INIZCTEOSA-N 1 0 320.393 0.699 10 0 DCAERO CN(CC1C[NH+](C)C1)C(=O)c1nn(C)cc1Br ZINC000618189482 396918552 /nfs/dbraw/zinc/91/85/52/396918552.db2.gz LDMLZMIQBPQTEC-UHFFFAOYSA-N 1 0 301.188 0.816 10 0 DCAERO CCc1n[nH]cc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000591643127 396960094 /nfs/dbraw/zinc/96/00/94/396960094.db2.gz YSEVONGNHSHFJE-UHFFFAOYSA-N 1 0 321.425 0.502 10 0 DCAERO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000572343760 397047209 /nfs/dbraw/zinc/04/72/09/397047209.db2.gz DUSLUYUJRFCVDZ-PMPSAXMXSA-N 1 0 316.442 0.195 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364068392 397178180 /nfs/dbraw/zinc/17/81/80/397178180.db2.gz BRNRFMWFJDQRAR-RRFJBIMHSA-N 1 0 309.410 0.055 10 0 DCAERO Cc1cnn(CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000592419269 397170958 /nfs/dbraw/zinc/17/09/58/397170958.db2.gz 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C[C@H]([C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)S(C)(=O)=O ZINC000408217494 397350246 /nfs/dbraw/zinc/35/02/46/397350246.db2.gz FHYIUTKXRVICLS-RVMXOQNASA-N 1 0 304.456 0.997 10 0 DCAERO CS[C@@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1[NH+]1CCCC1 ZINC000408349293 397353798 /nfs/dbraw/zinc/35/37/98/397353798.db2.gz OHZOZPVVHGFPMK-OUAUKWLOSA-N 1 0 300.428 0.081 10 0 DCAERO CC(=O)N[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000620964115 397324558 /nfs/dbraw/zinc/32/45/58/397324558.db2.gz UTQCDDGMEVOCGO-HUUCEWRRSA-N 1 0 313.442 0.716 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000367414638 397400241 /nfs/dbraw/zinc/40/02/41/397400241.db2.gz GAKGNFHYLDDNJO-HTWGDNNSSA-N 1 0 320.437 0.968 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000367488659 397402830 /nfs/dbraw/zinc/40/28/30/397402830.db2.gz CQLCBHWEEGZWRK-KRWDZBQOSA-N 1 0 303.406 0.751 10 0 DCAERO CCOC(=O)COCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599629381 397488618 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C[C@H](CS(C)(=O)=O)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000072683141 158052508 /nfs/dbraw/zinc/05/25/08/158052508.db2.gz MUHKRNPOODPTEK-GFCCVEGCSA-N 1 0 317.455 0.689 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000074616987 158059594 /nfs/dbraw/zinc/05/95/94/158059594.db2.gz OEZAGVXBEZENDZ-YIONKMFJSA-N 1 0 313.442 0.757 10 0 DCAERO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000076431298 158065407 /nfs/dbraw/zinc/06/54/07/158065407.db2.gz HRFHRQLCUKDENX-NSHDSACASA-N 1 0 321.343 0.985 10 0 DCAERO CC[NH+]1CCN(c2ccccc2NC(=O)CNC(C)=O)CC1 ZINC000078643535 158074533 /nfs/dbraw/zinc/07/45/33/158074533.db2.gz KOEVQMVGVNTVKV-UHFFFAOYSA-N 1 0 304.394 0.903 10 0 DCAERO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085359720 158090780 /nfs/dbraw/zinc/09/07/80/158090780.db2.gz BIWKOUMHSNJECT-STQMWFEESA-N 1 0 317.455 0.434 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000086468502 158091602 /nfs/dbraw/zinc/09/16/02/158091602.db2.gz 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158148054 /nfs/dbraw/zinc/14/80/54/158148054.db2.gz JPYOGXVBLCPVTG-WBVHZDCISA-N 1 0 324.421 0.354 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113633617 158149189 /nfs/dbraw/zinc/14/91/89/158149189.db2.gz YOKGSHDLRDIJPX-RWMBFGLXSA-N 1 0 317.455 0.688 10 0 DCAERO COC(=O)[C@@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000114454968 158152397 /nfs/dbraw/zinc/15/23/97/158152397.db2.gz LHGFXTQVINFSHX-AWEZNQCLSA-N 1 0 309.410 0.367 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)nc1 ZINC000114415113 158153030 /nfs/dbraw/zinc/15/30/30/158153030.db2.gz MZVXUKQDUUPUFT-OAHLLOKOSA-N 1 0 318.421 0.828 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000116789211 158167327 /nfs/dbraw/zinc/16/73/27/158167327.db2.gz JKLILHRBVWQGAM-OLZOCXBDSA-N 1 0 324.450 0.901 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1 ZINC000116793420 158167557 /nfs/dbraw/zinc/16/75/57/158167557.db2.gz KJWVUKHZWUQWIE-KGLIPLIRSA-N 1 0 300.399 0.361 10 0 DCAERO 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ZINC000135696979 158340074 /nfs/dbraw/zinc/34/00/74/158340074.db2.gz IKWAGJIHBKJARF-NSHDSACASA-N 1 0 313.423 0.853 10 0 DCAERO CCN1CCO[C@H](C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000136826448 158344327 /nfs/dbraw/zinc/34/43/27/158344327.db2.gz JNABYHIIGWWKHT-OLZOCXBDSA-N 1 0 321.425 0.553 10 0 DCAERO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152668531 158349691 /nfs/dbraw/zinc/34/96/91/158349691.db2.gz WCBLSXZVUDAISM-JTQLQIEISA-N 1 0 304.350 0.944 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H]([NH+](C)C)C2)C1=O ZINC000170861133 158377016 /nfs/dbraw/zinc/37/70/16/158377016.db2.gz KSLMZDDILWTETF-NSHDSACASA-N 1 0 310.398 0.260 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000171744068 158386523 /nfs/dbraw/zinc/38/65/23/158386523.db2.gz ZRIWTNPLWSPKED-CVEARBPZSA-N 1 0 324.469 0.977 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCCOC3)ccn2)CC1 ZINC000171799526 158387718 /nfs/dbraw/zinc/38/77/18/158387718.db2.gz UJQXYZLQXZYSAL-CQSZACIVSA-N 1 0 318.421 0.990 10 0 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/nfs/dbraw/zinc/56/87/24/158568724.db2.gz HQOZSNFZNIKWLL-OLZOCXBDSA-N 1 0 300.399 0.565 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000193294312 158582081 /nfs/dbraw/zinc/58/20/81/158582081.db2.gz CTUXMHIGHRDEFP-CQSZACIVSA-N 1 0 318.421 0.897 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000230865157 158625450 /nfs/dbraw/zinc/62/54/50/158625450.db2.gz CCMBAPPFWLKRFB-JTQLQIEISA-N 1 0 306.819 0.869 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248667545 158694985 /nfs/dbraw/zinc/69/49/85/158694985.db2.gz XBTGTZNFSANCQU-LPEHRKFASA-N 1 0 318.830 0.740 10 0 DCAERO [NH3+]CCN(CCn1nc2ccccn2c1=O)Cc1ccccc1 ZINC000261548633 158720507 /nfs/dbraw/zinc/72/05/07/158720507.db2.gz NRMPSFGFARZWAY-UHFFFAOYSA-N 1 0 311.389 0.957 10 0 DCAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000261913861 158753229 /nfs/dbraw/zinc/75/32/29/158753229.db2.gz HVLOWZOMEMMHNZ-DTWKUNHWSA-N 1 0 315.370 0.282 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1sccc1Br ZINC000262086010 158771770 /nfs/dbraw/zinc/77/17/70/158771770.db2.gz CQNFGJDEYYTDTQ-XPUUQOCRSA-N 1 0 305.197 0.821 10 0 DCAERO Cc1cc(-n2c(C)cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c2C)no1 ZINC000262129569 158776631 /nfs/dbraw/zinc/77/66/31/158776631.db2.gz GJSLWVBAAKEPAS-OCCSQVGLSA-N 1 0 318.377 0.701 10 0 DCAERO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262213987 158785006 /nfs/dbraw/zinc/78/50/06/158785006.db2.gz IYSQATGNKNQYFL-CMPLNLGQSA-N 1 0 302.296 0.944 10 0 DCAERO O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000262236214 158788295 /nfs/dbraw/zinc/78/82/95/158788295.db2.gz NBYIWKNEBKGCIQ-OAHLLOKOSA-N 1 0 301.390 0.556 10 0 DCAERO CS(=O)(=O)C1(C(=O)NCCc2ccsc2)CC[NH2+]CC1 ZINC000262230130 158788514 /nfs/dbraw/zinc/78/85/14/158788514.db2.gz QHLNVMAPVMGLIE-UHFFFAOYSA-N 1 0 316.448 0.574 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(CN2CCCC2=O)c1 ZINC000262273315 158791650 /nfs/dbraw/zinc/79/16/50/158791650.db2.gz NGABUFVYJRWCGA-HUUCEWRRSA-N 1 0 317.389 0.119 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)s1 ZINC000262371293 158805202 /nfs/dbraw/zinc/80/52/02/158805202.db2.gz WDGGKDSZTSONJC-BQBZGAKWSA-N 1 0 305.197 0.821 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cnc(-c2ccncc2)s1 ZINC000262407173 158810529 /nfs/dbraw/zinc/81/05/29/158810529.db2.gz YXUDADJPGYPQKX-MNOVXSKESA-N 1 0 304.375 0.515 10 0 DCAERO COC[C@@]1(C(=O)NC[C@H]2COc3ccccc3O2)CC[NH2+]C1 ZINC000262565658 158826604 /nfs/dbraw/zinc/82/66/04/158826604.db2.gz WQEZHBPOUQULOA-BLLLJJGKSA-N 1 0 306.362 0.569 10 0 DCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000319403023 159008343 /nfs/dbraw/zinc/00/83/43/159008343.db2.gz FPSADPKUYYMCOX-VXGBXAGGSA-N 1 0 304.346 0.364 10 0 DCAERO O=S1(=O)CCCN1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328610748 159014386 /nfs/dbraw/zinc/01/43/86/159014386.db2.gz NYEWDMXSMFKVSL-AWEZNQCLSA-N 1 0 311.407 0.570 10 0 DCAERO CC(C)C1([NH2+][C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000328800788 159030791 /nfs/dbraw/zinc/03/07/91/159030791.db2.gz YTGLUUXTDCOTNG-NEPJUHHUSA-N 1 0 302.440 0.799 10 0 DCAERO Cn1nnc2cc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)ccc21 ZINC000329277382 159078313 /nfs/dbraw/zinc/07/83/13/159078313.db2.gz LPPOBYYEJIXRNQ-CQSZACIVSA-N 1 0 301.394 0.921 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000329293568 159080508 /nfs/dbraw/zinc/08/05/08/159080508.db2.gz RQFIUIKEUUKOGH-LBPRGKRZSA-N 1 0 303.366 0.258 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CC[NH+]4CCC3CC4)nc2n1 ZINC000329311689 159082489 /nfs/dbraw/zinc/08/24/89/159082489.db2.gz GHESYJTVROZRNP-UHFFFAOYSA-N 1 0 314.393 0.590 10 0 DCAERO C[C@@H]1CN(C(=O)c2cnn3ccncc23)CC[N@@H+]1CC(C)(C)O ZINC000329359193 159085502 /nfs/dbraw/zinc/08/55/02/159085502.db2.gz XKLGGCWKWFYIIK-GFCCVEGCSA-N 1 0 317.393 0.647 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000329383695 159088052 /nfs/dbraw/zinc/08/80/52/159088052.db2.gz OQNVRIFNLJLAGY-CYUUQNCZSA-N 1 0 309.410 0.053 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nn1 ZINC000329526121 159099999 /nfs/dbraw/zinc/09/99/99/159099999.db2.gz RHPRIMZAYXUCRV-JARUQAPTSA-N 1 0 322.409 0.768 10 0 DCAERO CC(C)n1nnnc1CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329646570 159109524 /nfs/dbraw/zinc/10/95/24/159109524.db2.gz IZKMVDOEKXGKEO-JTQLQIEISA-N 1 0 318.385 0.456 10 0 DCAERO C[C@@H](CNC(=O)C[C@@H]1CCCCNC1=O)N1CC[NH+](C)CC1 ZINC000332746320 159212715 /nfs/dbraw/zinc/21/27/15/159212715.db2.gz JFZWWQLTNGMBAO-KBPBESRZSA-N 1 0 310.442 0.045 10 0 DCAERO Cc1nccn1CCCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366133549 159279766 /nfs/dbraw/zinc/27/97/66/159279766.db2.gz YCTSEHKAJGPJOQ-HNNXBMFYSA-N 1 0 305.382 0.646 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367023615 159305473 /nfs/dbraw/zinc/30/54/73/159305473.db2.gz YLBYRUPCUYOGBN-INIZCTEOSA-N 1 0 316.405 0.998 10 0 DCAERO CN1c2ccc(C[N@@H+]3CCC[C@](O)(C(N)=O)C3)cc2CCC1=O ZINC000367492479 159341316 /nfs/dbraw/zinc/34/13/16/159341316.db2.gz HRRONLIMVGOBRG-QGZVFWFLSA-N 1 0 317.389 0.408 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N2CC3(C2)CCCOC3)CC1=O ZINC000368360339 159389416 /nfs/dbraw/zinc/38/94/16/159389416.db2.gz HAJVIWZVVNVPRJ-CYBMUJFWSA-N 1 0 309.410 0.036 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000407986135 160003711 /nfs/dbraw/zinc/00/37/11/160003711.db2.gz KRHHHFSOBLXYRB-LBPRGKRZSA-N 1 0 311.430 0.430 10 0 DCAERO CC1CCN(C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000407988674 160004876 /nfs/dbraw/zinc/00/48/76/160004876.db2.gz IARPKMIGRGTMIE-UHFFFAOYSA-N 1 0 319.409 0.312 10 0 DCAERO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC[N@@H+]1C ZINC000407991897 160005546 /nfs/dbraw/zinc/00/55/46/160005546.db2.gz QAIZWROOSGDFHO-GFCCVEGCSA-N 1 0 307.398 0.660 10 0 DCAERO Cc1noc([C@H]2CN(C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036373 160018851 /nfs/dbraw/zinc/01/88/51/160018851.db2.gz RVXRDUISKZMERL-MWLCHTKSSA-N 1 0 308.304 0.980 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CC[N@@H+](C)CC3(C)C)nc2n1 ZINC000408049705 160023545 /nfs/dbraw/zinc/02/35/45/160023545.db2.gz DFPVEPAMXKLOSS-UHFFFAOYSA-N 1 0 316.409 0.836 10 0 DCAERO CC[C@@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)NC)CC2)CCO1 ZINC000408224593 160063873 /nfs/dbraw/zinc/06/38/73/160063873.db2.gz GOKYZAIBCKUDQQ-GXTWGEPZSA-N 1 0 319.471 0.710 10 0 DCAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000408374693 160094548 /nfs/dbraw/zinc/09/45/48/160094548.db2.gz PYVFDMISYNSEMT-UONOGXRCSA-N 1 0 311.426 0.158 10 0 DCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncc(=O)c4ccccc43)C[C@@H]21 ZINC000408469606 160115743 /nfs/dbraw/zinc/11/57/43/160115743.db2.gz SNQXDEBGNJJYSN-DOMZBBRYSA-N 1 0 312.373 0.559 10 0 DCAERO C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)ncn2)C1 ZINC000408473108 160115792 /nfs/dbraw/zinc/11/57/92/160115792.db2.gz YWPMZYNRUIODEF-SOUVJXGZSA-N 1 0 317.437 0.968 10 0 DCAERO COc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccn1 ZINC000049175612 286891786 /nfs/dbraw/zinc/89/17/86/286891786.db2.gz LPRZKEJGUWMYRL-AWEZNQCLSA-N 1 0 322.409 0.736 10 0 DCAERO C[NH+]1CCN(Cc2cccc(C(=O)NC(C)(C)C(N)=O)c2)CC1 ZINC000073027426 286912704 /nfs/dbraw/zinc/91/27/04/286912704.db2.gz MFLOXWBLWOWSAX-UHFFFAOYSA-N 1 0 318.421 0.428 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000078892047 286923002 /nfs/dbraw/zinc/92/30/02/286923002.db2.gz LXDGIZGNEBDVPO-ZDUSSCGKSA-N 1 0 324.425 0.161 10 0 DCAERO C[NH+](C)CCOc1ccccc1C(=O)NCCNC(=O)C1CC1 ZINC000080199651 286925765 /nfs/dbraw/zinc/92/57/65/286925765.db2.gz DCSMSJSBARYIDR-UHFFFAOYSA-N 1 0 319.405 0.883 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000131126766 286998311 /nfs/dbraw/zinc/99/83/11/286998311.db2.gz VVDSGKMVUOVCJR-HNNXBMFYSA-N 1 0 315.483 0.686 10 0 DCAERO CC[C@@H]1CN(CCCNS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC000132550224 287006101 /nfs/dbraw/zinc/00/61/01/287006101.db2.gz MXMSWSXAISTHMZ-CQSZACIVSA-N 1 0 321.487 0.358 10 0 DCAERO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)co1 ZINC000151685055 287035266 /nfs/dbraw/zinc/03/52/66/287035266.db2.gz QSDCLJWQDYEANE-NSHDSACASA-N 1 0 315.395 0.354 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCn1ccnn1 ZINC000193655623 287061130 /nfs/dbraw/zinc/06/11/30/287061130.db2.gz JCLHDIZEEOVXSX-HNNXBMFYSA-N 1 0 301.394 0.957 10 0 DCAERO COC(=O)CCN1CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)C1 ZINC000245922065 287074498 /nfs/dbraw/zinc/07/44/98/287074498.db2.gz YBWKLSKCKBSTPY-ZIAGYGMSSA-N 1 0 316.442 0.732 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000246112626 287077200 /nfs/dbraw/zinc/07/72/00/287077200.db2.gz IJQFDBNZSZYRNT-YNEHKIRRSA-N 1 0 305.444 0.366 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246433815 287083671 /nfs/dbraw/zinc/08/36/71/287083671.db2.gz JPEFURXQSCSBMT-RYUDHWBXSA-N 1 0 305.444 0.209 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246764879 287087845 /nfs/dbraw/zinc/08/78/45/287087845.db2.gz YHXKJCKDSFUPCU-JSGCOSHPSA-N 1 0 324.425 0.160 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2noc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000248493709 287098040 /nfs/dbraw/zinc/09/80/40/287098040.db2.gz PNCSRTYALTZMFY-JQWIXIFHSA-N 1 0 311.386 0.365 10 0 DCAERO O=C([C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1)N1CCOCC1 ZINC000248493643 287098128 /nfs/dbraw/zinc/09/81/28/287098128.db2.gz PJQCFQAXHZUGCW-WDEREUQCSA-N 1 0 310.316 0.480 10 0 DCAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248697312 287100261 /nfs/dbraw/zinc/10/02/61/287100261.db2.gz APZBIJQHIZGHIL-UPJWGTAASA-N 1 0 304.456 0.892 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](CO)O1 ZINC000248759793 287101180 /nfs/dbraw/zinc/10/11/80/287101180.db2.gz MJVIMYHCIOHLBF-VHDGCEQUSA-N 1 0 312.410 0.238 10 0 DCAERO CCCc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)n2ncnc2n1 ZINC000249136437 287107125 /nfs/dbraw/zinc/10/71/25/287107125.db2.gz HOWHUAIMYWZBGW-LBPRGKRZSA-N 1 0 304.398 0.580 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCC[C@H]1CCO ZINC000251481916 287119226 /nfs/dbraw/zinc/11/92/26/287119226.db2.gz DLHNIVUTNRLRHS-KKUMJFAQSA-N 1 0 313.442 0.684 10 0 DCAERO CO[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000358315432 287207187 /nfs/dbraw/zinc/20/71/87/287207187.db2.gz GISONJGJDDUROQ-VXGQWTEUSA-N 1 0 323.437 0.803 10 0 DCAERO CC[C@@H]1CN(c2ccc(C(=O)NC)nn2)CC[N@@H+]1CCOC ZINC000266794839 415140058 /nfs/dbraw/zinc/14/00/58/415140058.db2.gz ADPHGJQLHHHLTK-GFCCVEGCSA-N 1 0 307.398 0.383 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(Cc3nccn3C)CC2)[N@H+](C)C1 ZINC000332082312 415232266 /nfs/dbraw/zinc/23/22/66/415232266.db2.gz APYPNFICPDBFEQ-GJZGRUSLSA-N 1 0 320.437 0.920 10 0 DCAERO CN(C)C(=O)CN(C)CC(=O)NCCN1CCc2ccccc21 ZINC000051588579 415312082 /nfs/dbraw/zinc/31/20/82/415312082.db2.gz PGNKEISZPBCSNQ-UHFFFAOYSA-N 1 0 318.421 0.185 10 0 DCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000055196941 415327719 /nfs/dbraw/zinc/32/77/19/415327719.db2.gz VTXFLBGLJJPONU-CYBMUJFWSA-N 1 0 322.409 0.104 10 0 DCAERO C[NH+](C)CCC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000073643268 415423543 /nfs/dbraw/zinc/42/35/43/415423543.db2.gz VHSIPGIYRUBCHP-UHFFFAOYSA-N 1 0 324.425 0.507 10 0 DCAERO CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1cccnc1 ZINC000081234381 415482799 /nfs/dbraw/zinc/48/27/99/415482799.db2.gz WIVSOVWASNHCAO-ZBFHGGJFSA-N 1 0 316.405 0.813 10 0 DCAERO CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCC2)[C@H]1c1cccnc1 ZINC000081234379 415484099 /nfs/dbraw/zinc/48/40/99/415484099.db2.gz WIVSOVWASNHCAO-GDBMZVCRSA-N 1 0 316.405 0.813 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083710785 415491703 /nfs/dbraw/zinc/49/17/03/415491703.db2.gz RXLWVMAMLLZJBK-CYBMUJFWSA-N 1 0 324.429 0.689 10 0 DCAERO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000332784602 415474682 /nfs/dbraw/zinc/47/46/82/415474682.db2.gz CNLUKEXTACYDTR-BQUFFADESA-N 1 0 310.398 0.803 10 0 DCAERO 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/nfs/dbraw/zinc/66/82/11/415668211.db2.gz DNWGUHQKVAWBON-HUUCEWRRSA-N 1 0 321.425 0.744 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)n(C)n1 ZINC000333539009 415678539 /nfs/dbraw/zinc/67/85/39/415678539.db2.gz JAVPNPSYSMBATA-MJBXVCDLSA-N 1 0 320.441 0.828 10 0 DCAERO O=C(NC[C@H]1C[NH2+]CCO1)N1CCO[C@H](C2CCCCC2)C1 ZINC000333568817 415684078 /nfs/dbraw/zinc/68/40/78/415684078.db2.gz RPZAZSVHGPZJAS-CABCVRRESA-N 1 0 311.426 0.966 10 0 DCAERO CN1CCO[C@@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000110483937 415686769 /nfs/dbraw/zinc/68/67/69/415686769.db2.gz LDTNCUGAUJIPLQ-VIFPVBQESA-N 1 0 302.172 0.838 10 0 DCAERO CCC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000116787613 415726981 /nfs/dbraw/zinc/72/69/81/415726981.db2.gz FDYDTXISVVUAHD-KGLIPLIRSA-N 1 0 311.426 0.424 10 0 DCAERO Cc1csc(CNC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000111809737 415699408 /nfs/dbraw/zinc/69/94/08/415699408.db2.gz PIKXDBJIOUBNEA-UHFFFAOYSA-N 1 0 312.439 0.955 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)ncn3)C[C@H]21 ZINC000333621021 415699565 /nfs/dbraw/zinc/69/95/65/415699565.db2.gz ZLKVDRZARIMXHK-MGPQQGTHSA-N 1 0 303.410 0.877 10 0 DCAERO COc1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)CCO2 ZINC000333642098 415702942 /nfs/dbraw/zinc/70/29/42/415702942.db2.gz UMIFKSLRKGGDFW-IHRRRGAJSA-N 1 0 321.377 0.493 10 0 DCAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2 ZINC000119371339 415748493 /nfs/dbraw/zinc/74/84/93/415748493.db2.gz DCTBBDMLFUPFSL-HZSPNIEDSA-N 1 0 319.467 0.919 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000120481805 415768952 /nfs/dbraw/zinc/76/89/52/415768952.db2.gz XIWWVCBELCBSMN-TUAOUCFPSA-N 1 0 300.403 0.001 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2C)[C@H](C)C1 ZINC000119790530 415750648 /nfs/dbraw/zinc/75/06/48/415750648.db2.gz ATNDIRMCYKWHGR-YPMHNXCESA-N 1 0 321.425 0.856 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C[C@@H]21 ZINC000333884816 415759230 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CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000344542715 415945448 /nfs/dbraw/zinc/94/54/48/415945448.db2.gz CJIGCSDWNFWGAZ-SMDDNHRTSA-N 1 0 318.373 0.489 10 0 DCAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC000133767478 415952028 /nfs/dbraw/zinc/95/20/28/415952028.db2.gz MQZTYADYBLJJRI-UHFFFAOYSA-N 1 0 318.377 0.035 10 0 DCAERO [NH3+][C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)C1CC1 ZINC000137598040 415962500 /nfs/dbraw/zinc/96/25/00/415962500.db2.gz IICYTZRTUHKWFF-GJZGRUSLSA-N 1 0 316.405 0.930 10 0 DCAERO CCn1nc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000153023989 415974504 /nfs/dbraw/zinc/97/45/04/415974504.db2.gz AIOPBYGFIKHBIJ-LBPRGKRZSA-N 1 0 307.398 0.621 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000172081929 416043447 /nfs/dbraw/zinc/04/34/47/416043447.db2.gz OPQONHCJTGCYJL-GXTWGEPZSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H]1CC[C@H](C)[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000174475418 416079671 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C[C@@H]1c2ccsc2CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000313395988 416107574 /nfs/dbraw/zinc/10/75/74/416107574.db2.gz SQYLPMFVGLTMPA-MNOVXSKESA-N 1 0 316.448 0.985 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN1C(=O)N[C@@](C)(CC)C1=O ZINC000175543991 416109819 /nfs/dbraw/zinc/10/98/19/416109819.db2.gz AWTPWVBEBJQRGH-LRDDRELGSA-N 1 0 324.425 0.650 10 0 DCAERO CCOCCOCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175846906 416114099 /nfs/dbraw/zinc/11/40/99/416114099.db2.gz CHILOKKTCHASPP-UHFFFAOYSA-N 1 0 300.399 0.363 10 0 DCAERO CC(=O)N(C[C@H]1CCC[N@@H+]1CCc1nnc(N)s1)C1CC1 ZINC000328653509 416125745 /nfs/dbraw/zinc/12/57/45/416125745.db2.gz WXCBMUSFZFDPSP-GFCCVEGCSA-N 1 0 309.439 1.138 10 0 DCAERO CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@@H](C)O)CC1 ZINC000176615907 416129093 /nfs/dbraw/zinc/12/90/93/416129093.db2.gz XRJIPXPHJFWMIM-CYBMUJFWSA-N 1 0 301.431 0.946 10 0 DCAERO C[NH+](C)C[C@H]1CN(CCC(=O)Nc2cc(N)ccc2F)CCO1 ZINC000177059126 416140707 /nfs/dbraw/zinc/14/07/07/416140707.db2.gz 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COC(=O)c1coc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000183630660 416247998 /nfs/dbraw/zinc/24/79/98/416247998.db2.gz BKEHEDCZCOPFFP-GFCCVEGCSA-N 1 0 323.393 0.680 10 0 DCAERO COCCCCS(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000184718087 416252195 /nfs/dbraw/zinc/25/21/95/416252195.db2.gz AHYJMQWWBXDCIG-UHFFFAOYSA-N 1 0 308.444 0.443 10 0 DCAERO CCc1cc2c(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)cc(=O)oc2cc1O ZINC000185176777 416254822 /nfs/dbraw/zinc/25/48/22/416254822.db2.gz XYEHFOOQDMFNEE-OLZOCXBDSA-N 1 0 319.357 0.989 10 0 DCAERO Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1S(N)(=O)=O ZINC000186839170 416258001 /nfs/dbraw/zinc/25/80/01/416258001.db2.gz VRLVBTQFBTVLKV-SKDRFNHKSA-N 1 0 311.407 0.370 10 0 DCAERO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186782338 416258412 /nfs/dbraw/zinc/25/84/12/416258412.db2.gz DYNAABQWBRGBCM-SCZZXKLOSA-N 1 0 304.350 0.563 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000186726645 416259254 /nfs/dbraw/zinc/25/92/54/416259254.db2.gz LIKNQSBVNZRDAB-OCCSQVGLSA-N 1 0 303.410 0.807 10 0 DCAERO C[C@H](CNC(=O)NCC1(CCO)CC1)C[NH+]1CCN(C)CC1 ZINC000187289773 416261449 /nfs/dbraw/zinc/26/14/49/416261449.db2.gz XBEMNPYHRRNZKB-CQSZACIVSA-N 1 0 312.458 0.332 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000331131635 416270126 /nfs/dbraw/zinc/27/01/26/416270126.db2.gz GVGHJHFYTHKCPA-INIZCTEOSA-N 1 0 318.421 0.645 10 0 DCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000190365593 416277411 /nfs/dbraw/zinc/27/74/11/416277411.db2.gz LWSZVZCJLFIHDU-KBPBESRZSA-N 1 0 322.471 0.520 10 0 DCAERO C[C@@H](NC(=O)C(=O)N(C)Cc1cnccn1)C(C)(C)C[NH+](C)C ZINC000358836898 416282072 /nfs/dbraw/zinc/28/20/72/416282072.db2.gz WKRHTOUSFJBSHX-GFCCVEGCSA-N 1 0 321.425 0.528 10 0 DCAERO COCC[N@@H+](Cc1cccnc1)C[C@H](O)CN1CCCC1=O ZINC000191109470 416284836 /nfs/dbraw/zinc/28/48/36/416284836.db2.gz VNYOSQFBECCQDH-HNNXBMFYSA-N 1 0 307.394 0.513 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cocn3)CC2)C1 ZINC000191941507 416292972 /nfs/dbraw/zinc/29/29/72/416292972.db2.gz SNSPLKSMWXTPHR-MRXNPFEDSA-N 1 0 308.426 0.901 10 0 DCAERO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000191965639 416293553 /nfs/dbraw/zinc/29/35/53/416293553.db2.gz IVQXOBVSEZPMAE-LLVKDONJSA-N 1 0 307.398 0.861 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C)C(=O)C1 ZINC000248783420 416333950 /nfs/dbraw/zinc/33/39/50/416333950.db2.gz CHWRJHPCOBPQOY-KGLIPLIRSA-N 1 0 310.442 0.981 10 0 DCAERO COc1ccccc1[C@H]1CNCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261626744 416335638 /nfs/dbraw/zinc/33/56/38/416335638.db2.gz ARWXMQALPFVZSR-DZGCQCFKSA-N 1 0 319.405 0.547 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000262899263 416337231 /nfs/dbraw/zinc/33/72/31/416337231.db2.gz PJSFCUFXNLVADP-UWVGGRQHSA-N 1 0 312.395 0.436 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000262833870 416337251 /nfs/dbraw/zinc/33/72/51/416337251.db2.gz QRNSJVHJVWCJKZ-NWDGAFQWSA-N 1 0 322.409 0.355 10 0 DCAERO Cc1cc(C)nc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000194380710 416322869 /nfs/dbraw/zinc/32/28/69/416322869.db2.gz PGFRUFXNBHXUDS-UHFFFAOYSA-N 1 0 302.378 0.944 10 0 DCAERO CCC1(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC1 ZINC000194680140 416324503 /nfs/dbraw/zinc/32/45/03/416324503.db2.gz VEJJOZGLUWSJLH-UHFFFAOYSA-N 1 0 307.398 0.832 10 0 DCAERO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000195092216 416325272 /nfs/dbraw/zinc/32/52/72/416325272.db2.gz DULOUQLUOUPTRH-ZDUSSCGKSA-N 1 0 305.378 0.379 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195322489 416326076 /nfs/dbraw/zinc/32/60/76/416326076.db2.gz AVGWFWVCTDHRSY-ZDUSSCGKSA-N 1 0 323.418 0.515 10 0 DCAERO [NH3+]C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000237867593 416329007 /nfs/dbraw/zinc/32/90/07/416329007.db2.gz YFVVLLQMKFRUBU-KRWDZBQOSA-N 1 0 316.449 0.658 10 0 DCAERO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)C(F)(F)F)CCSC1 ZINC000360747788 416407790 /nfs/dbraw/zinc/40/77/90/416407790.db2.gz 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/nfs/dbraw/zinc/59/53/64/416595364.db2.gz BODXMVZHSQKTAI-CQSZACIVSA-N 1 0 301.394 0.766 10 0 DCAERO CCc1nc(C(C)(C)NC(=O)NCC[N@H+](C)CCOC)no1 ZINC000441888919 416683254 /nfs/dbraw/zinc/68/32/54/416683254.db2.gz XELUSEWGZMVFAC-UHFFFAOYSA-N 1 0 313.402 0.745 10 0 DCAERO NC(=O)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000368569735 416669851 /nfs/dbraw/zinc/66/98/51/416669851.db2.gz ODSUTCAKXOXMMB-CABCVRRESA-N 1 0 318.421 0.218 10 0 DCAERO Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000623099473 416743042 /nfs/dbraw/zinc/74/30/42/416743042.db2.gz PDFOZGGPULVMQY-CHWSQXEVSA-N 1 0 307.398 0.644 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)Nc1cc2n(n1)CCCC2 ZINC000548784571 416692037 /nfs/dbraw/zinc/69/20/37/416692037.db2.gz TUTMRKVAZXHKKP-UHFFFAOYSA-N 1 0 300.366 1.270 10 0 DCAERO C(c1nnnn1CC1CCOCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890380 416777994 /nfs/dbraw/zinc/77/79/94/416777994.db2.gz PDPWJUYTJBWZET-HUUCEWRRSA-N 1 0 320.441 0.674 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1COCCN1C ZINC000623713115 416872160 /nfs/dbraw/zinc/87/21/60/416872160.db2.gz SXLILYWGSGLHDM-SECBINFHSA-N 1 0 303.204 0.603 10 0 DCAERO CCN(CC(=O)OC)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000560346714 416845142 /nfs/dbraw/zinc/84/51/42/416845142.db2.gz DFZLYNOLJYENBC-KRWDZBQOSA-N 1 0 320.389 0.645 10 0 DCAERO C[NH+](C)C1(CNC(=O)N2CCSC[C@@H]2CCO)CCC1 ZINC000446615855 416935137 /nfs/dbraw/zinc/93/51/37/416935137.db2.gz RQLURTRYTKOANK-LBPRGKRZSA-N 1 0 301.456 0.980 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000624395510 417026104 /nfs/dbraw/zinc/02/61/04/417026104.db2.gz ADTNATYWBAENKP-UHFFFAOYSA-N 1 0 302.396 0.552 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1cc(F)ccc1Cl ZINC000624395451 417027514 /nfs/dbraw/zinc/02/75/14/417027514.db2.gz ZRFBZKFCIDKMTP-UHFFFAOYSA-N 1 0 310.778 0.993 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000624237135 416987354 /nfs/dbraw/zinc/98/73/54/416987354.db2.gz QHBRMBMEESFROO-ZWKOPEQDSA-N 1 0 300.380 0.134 10 0 DCAERO O=C(c1ccncc1Br)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565652281 417004396 /nfs/dbraw/zinc/00/43/96/417004396.db2.gz DWEPJVVLZDZQPD-WDEREUQCSA-N 1 0 312.167 0.657 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000568126780 417082357 /nfs/dbraw/zinc/08/23/57/417082357.db2.gz ZOAOQMREFLKBBX-HZSPNIEDSA-N 1 0 309.410 0.367 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616635664 417087828 /nfs/dbraw/zinc/08/78/28/417087828.db2.gz JLSYURMFKHUFNL-ZDUSSCGKSA-N 1 0 307.398 0.948 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405269879 417125135 /nfs/dbraw/zinc/12/51/35/417125135.db2.gz RIMUBWTVCFPGMT-QWHCGFSZSA-N 1 0 315.373 0.033 10 0 DCAERO CN(C)C(=O)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000408036535 417133807 /nfs/dbraw/zinc/13/38/07/417133807.db2.gz TXXKWNWOBXFFMF-KBPBESRZSA-N 1 0 311.426 0.349 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000408061664 417136408 /nfs/dbraw/zinc/13/64/08/417136408.db2.gz LDUAMBPMFGQQAT-SYQHCUMBSA-N 1 0 317.455 0.557 10 0 DCAERO CNc1nc(N2CC[NH+](CCCO)CC2)nc2ccccc21 ZINC000450293494 417213101 /nfs/dbraw/zinc/21/31/01/417213101.db2.gz JQFYIVLMZGGVGW-UHFFFAOYSA-N 1 0 301.394 1.176 10 0 DCAERO CC(=O)N1CCC[C@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627022375 417214448 /nfs/dbraw/zinc/21/44/48/417214448.db2.gz IEFWUFOGECRXQL-OIISXLGYSA-N 1 0 322.453 0.886 10 0 DCAERO O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1C[NH2+]CCOC1 ZINC000643641288 417282359 /nfs/dbraw/zinc/28/23/59/417282359.db2.gz MSOBBIDIVDHOJC-MRXNPFEDSA-N 1 0 314.389 0.784 10 0 DCAERO CCC[C@H](O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000451042605 417292805 /nfs/dbraw/zinc/29/28/05/417292805.db2.gz WJXYHNXDNMKKFS-STQMWFEESA-N 1 0 304.456 0.941 10 0 DCAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000450728099 417260311 /nfs/dbraw/zinc/26/03/11/417260311.db2.gz JSDUDDVEXLOUPW-WWGRRREGSA-N 1 0 306.406 0.909 10 0 DCAERO COc1ccccc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528056732 417299969 /nfs/dbraw/zinc/29/99/69/417299969.db2.gz KQIMFXOEZSSZTN-UHFFFAOYSA-N 1 0 300.380 0.481 10 0 DCAERO O=C(NCc1n[nH]cc1Br)[C@@H]1C[NH2+]CCOC1 ZINC000643681782 417299967 /nfs/dbraw/zinc/29/99/67/417299967.db2.gz CLYBGBVONAVKRV-SSDOTTSWSA-N 1 0 303.160 0.024 10 0 DCAERO [NH3+]CC1(NS(=O)(=O)Cc2ccc(F)cc2)CCOCC1 ZINC000528056092 417300281 /nfs/dbraw/zinc/30/02/81/417300281.db2.gz HOLPGFFHUPRPPA-UHFFFAOYSA-N 1 0 302.371 0.753 10 0 DCAERO CC(C)(C[NH2+][C@H]1CCCS(=O)(=O)CC1)N1CCOCC1 ZINC000634950656 417549349 /nfs/dbraw/zinc/54/93/49/417549349.db2.gz ZQJWBJCCOYJRCH-ZDUSSCGKSA-N 1 0 304.456 0.654 10 0 DCAERO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000531079915 417604562 /nfs/dbraw/zinc/60/45/62/417604562.db2.gz LJNDDWXUEDMDRD-GFCCVEGCSA-N 1 0 305.378 0.580 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cncc(F)c1 ZINC000440040712 287392652 /nfs/dbraw/zinc/39/26/52/287392652.db2.gz BTYCLMHWSMTBSO-UHFFFAOYSA-N 1 0 303.297 0.204 10 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XKVOLOCHUAKILZ-UKRRQHHQSA-N 1 0 319.405 0.642 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000362048214 261992781 /nfs/dbraw/zinc/99/27/81/261992781.db2.gz WFVDZHSRHFFYQW-ZDUSSCGKSA-N 1 0 312.410 0.899 10 0 DCAERO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)CC2 ZINC000459701778 272005220 /nfs/dbraw/zinc/00/52/20/272005220.db2.gz QOASKBSDNPVEPV-CABCVRRESA-N 1 0 302.378 0.795 10 0 DCAERO COc1cc(C)cnc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000490105922 272070738 /nfs/dbraw/zinc/07/07/38/272070738.db2.gz RMRNQNPIKVELGX-UHFFFAOYSA-N 1 0 306.410 0.718 10 0 DCAERO CN(C1CCCCC1)S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528056423 272630942 /nfs/dbraw/zinc/63/09/42/272630942.db2.gz HXHHJPGFDQJBAB-UHFFFAOYSA-N 1 0 305.444 0.593 10 0 DCAERO CS[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH+](C)C ZINC000535729322 287839262 /nfs/dbraw/zinc/83/92/62/287839262.db2.gz MGZVIAVEEFPEEJ-VXGBXAGGSA-N 1 0 305.407 0.847 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000123099402 276338770 /nfs/dbraw/zinc/33/87/70/276338770.db2.gz KPAMBFJYTKIXOR-GFCCVEGCSA-N 1 0 319.471 0.935 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000539416694 287891084 /nfs/dbraw/zinc/89/10/84/287891084.db2.gz QJUKRHNJULOCJW-UHFFFAOYSA-N 1 0 302.382 0.615 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000539420027 287891594 /nfs/dbraw/zinc/89/15/94/287891594.db2.gz XCKWVCFGMJMIIJ-UHFFFAOYSA-N 1 0 302.382 0.750 10 0 DCAERO CN(CC(C)(C)C[NH3+])C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000262571483 276825473 /nfs/dbraw/zinc/82/54/73/276825473.db2.gz DNGWRFSMXADERS-UHFFFAOYSA-N 1 0 316.405 0.919 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC000246932255 276835169 /nfs/dbraw/zinc/83/51/69/276835169.db2.gz JNFYTADUJJCDFB-UONOGXRCSA-N 1 0 320.441 0.734 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262441418 277015922 /nfs/dbraw/zinc/01/59/22/277015922.db2.gz UWDUNXYXYHFFEL-GJZGRUSLSA-N 1 0 319.430 0.911 10 0 DCAERO C[NH+]1CCC(O)(CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333094024 277032289 /nfs/dbraw/zinc/03/22/89/277032289.db2.gz BKPYEJSMPIFGFY-FRRDWIJNSA-N 1 0 302.440 0.551 10 0 DCAERO C[NH+]1CCC2(CCCN2C(=O)NCCCn2ccnn2)CC1 ZINC000408188640 277037307 /nfs/dbraw/zinc/03/73/07/277037307.db2.gz ILQIWQZWCRIFJW-UHFFFAOYSA-N 1 0 306.414 0.938 10 0 DCAERO COC(=O)CNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127938878 277062724 /nfs/dbraw/zinc/06/27/24/277062724.db2.gz MDJSRTBHTCJXCV-CHWSQXEVSA-N 1 0 308.382 0.636 10 0 DCAERO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000281677153 277235752 /nfs/dbraw/zinc/23/57/52/277235752.db2.gz RGKWJONMVQVTPX-PWSUYJOCSA-N 1 0 302.396 0.382 10 0 DCAERO COc1cccc2c1CC[N@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000193730699 278028601 /nfs/dbraw/zinc/02/86/01/278028601.db2.gz ORXXFXVDFCOCOC-INIZCTEOSA-N 1 0 320.433 0.789 10 0 DCAERO C[C@H]1CCCN1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000546731924 288028674 /nfs/dbraw/zinc/02/86/74/288028674.db2.gz OANPEBXMFOORNG-RYUDHWBXSA-N 1 0 307.485 0.742 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCNC(=O)C1CC1 ZINC000262466021 278434640 /nfs/dbraw/zinc/43/46/40/278434640.db2.gz IWAAWCIRRBVIOX-HWWQOWPSSA-N 1 0 309.410 0.161 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000155150170 288080398 /nfs/dbraw/zinc/08/03/98/288080398.db2.gz RLAIOUWDZCROOA-SYQHCUMBSA-N 1 0 321.421 0.713 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000184831040 288107147 /nfs/dbraw/zinc/10/71/47/288107147.db2.gz JJSIMWYPFVSTRC-CABCVRRESA-N 1 0 314.474 0.815 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C[N@@H+]1C1CC1 ZINC000548061538 288107528 /nfs/dbraw/zinc/10/75/28/288107528.db2.gz AFHRUUCACTYWDY-IIYDPXPESA-N 1 0 319.405 0.341 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328620924 279277397 /nfs/dbraw/zinc/27/73/97/279277397.db2.gz HKOZJMJUGGKMDT-AWEZNQCLSA-N 1 0 304.394 0.539 10 0 DCAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000548300350 288129757 /nfs/dbraw/zinc/12/97/57/288129757.db2.gz CAUBDQBNQFJPOY-VXGBXAGGSA-N 1 0 309.353 0.635 10 0 DCAERO CCO[C@@H]1C[C@](NC(=O)[C@@H]2CC[N@H+](C)C2)(C(=O)OC)C1(C)C ZINC000548386117 288138231 /nfs/dbraw/zinc/13/82/31/288138231.db2.gz CYOBCEALBOWISV-HSMVNMDESA-N 1 0 312.410 0.801 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000548389315 288138582 /nfs/dbraw/zinc/13/85/82/288138582.db2.gz KAXFPWUDMAQZJC-YOEHRIQHSA-N 1 0 319.405 0.296 10 0 DCAERO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)nc1 ZINC000548777338 288175605 /nfs/dbraw/zinc/17/56/05/288175605.db2.gz DSKXYIDEFZPPPS-UHFFFAOYSA-N 1 0 308.382 0.117 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000333806168 280358458 /nfs/dbraw/zinc/35/84/58/280358458.db2.gz IOACKYUIODGTPC-BZUAXINKSA-N 1 0 324.469 0.881 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000155821127 288236630 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ZINC000299744149 533804117 /nfs/dbraw/zinc/80/41/17/533804117.db2.gz NQZRMCDNLFMJGB-AWEZNQCLSA-N 1 0 314.393 0.879 10 0 DCAERO NC(=O)[C@@H](O)C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000299752642 534418333 /nfs/dbraw/zinc/41/83/33/534418333.db2.gz UVQXFJHJBQSJSC-INIZCTEOSA-N 1 0 304.390 0.722 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000119546489 519722109 /nfs/dbraw/zinc/72/21/09/519722109.db2.gz WOPWFMZJFFJKMW-GFCCVEGCSA-N 1 0 324.425 0.553 10 0 DCAERO CC(C)[C@@](C)(C[NH3+])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000158247859 519807907 /nfs/dbraw/zinc/80/79/07/519807907.db2.gz BPWYIXJPWPDJCW-MRXNPFEDSA-N 1 0 318.377 0.179 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156107514 521758240 /nfs/dbraw/zinc/75/82/40/521758240.db2.gz DWRYTPQGKMOKOB-SNVBAGLBSA-N 1 0 316.379 0.795 10 0 DCAERO CCc1ncc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)cn1 ZINC000127702142 522563844 /nfs/dbraw/zinc/56/38/44/522563844.db2.gz VGPZLAKONGFROI-LLVKDONJSA-N 1 0 307.398 0.824 10 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317.158 0.898 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000262089176 545978340 /nfs/dbraw/zinc/97/83/40/545978340.db2.gz CVGWNYPSFDPINH-IMJJTQAJSA-N 1 0 320.389 0.555 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000262150369 545980359 /nfs/dbraw/zinc/98/03/59/545980359.db2.gz HQSVHCDAVJADCS-KOLCDFICSA-N 1 0 304.268 0.895 10 0 DCAERO O=C(Cc1coc(-c2cccs2)n1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262214027 545981374 /nfs/dbraw/zinc/98/13/74/545981374.db2.gz IZFHUFGOTYASLN-ONGXEEELSA-N 1 0 307.375 0.642 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)NC(=O)CS2 ZINC000262268186 545981636 /nfs/dbraw/zinc/98/16/36/545981636.db2.gz MSRRAIVICBIKLH-ONGXEEELSA-N 1 0 307.375 0.041 10 0 DCAERO COc1ccc2c(c1)C=C(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)CO2 ZINC000262309011 545982408 /nfs/dbraw/zinc/98/24/08/545982408.db2.gz QIIHMUXKHBNQFC-TZMCWYRMSA-N 1 0 304.346 0.168 10 0 DCAERO COc1cc(OC)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262362061 545984581 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/nfs/dbraw/zinc/80/61/37/658806137.db2.gz SXIVARFYBGJAGH-WTKPLQERSA-N 1 0 323.418 0.940 10 0 DCAERO CC1([C@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)OCCO1 ZINC000248468271 661520532 /nfs/dbraw/zinc/52/05/32/661520532.db2.gz UBCDRNSFBFDZRY-UONOGXRCSA-N 1 0 312.410 0.445 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328986559 661603880 /nfs/dbraw/zinc/60/38/80/661603880.db2.gz RECCKFLLFDDCNM-QWHCGFSZSA-N 1 0 302.382 0.581 10 0 DCAERO COC(=O)COc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261815823 661722069 /nfs/dbraw/zinc/72/20/69/661722069.db2.gz PBHIXAYZNHVWRS-HNNXBMFYSA-N 1 0 322.361 0.931 10 0 DCAERO COC(=O)COc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261815824 661722201 /nfs/dbraw/zinc/72/22/01/661722201.db2.gz PBHIXAYZNHVWRS-OAHLLOKOSA-N 1 0 322.361 0.931 10 0 DCAERO COC(=O)c1ccc(F)c(S(=O)(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178910240 661883033 /nfs/dbraw/zinc/88/30/33/661883033.db2.gz AFQFWOZYMYAJMM-MRVPVSSYSA-N 1 0 304.343 0.628 10 0 DCAERO Cc1nccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)n1 ZINC000261989016 661945454 /nfs/dbraw/zinc/94/54/54/661945454.db2.gz BESIHNUFIWRJQF-XJKCOSOUSA-N 1 0 304.394 0.934 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cn4c(n3)CCCC4)C[C@@H]12 ZINC000261994054 661948080 /nfs/dbraw/zinc/94/80/80/661948080.db2.gz FHDBLVOAMJFXAH-QJPTWQEYSA-N 1 0 310.423 0.577 10 0 DCAERO CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CC[NH2+]CC1 ZINC000262006948 661956590 /nfs/dbraw/zinc/95/65/90/661956590.db2.gz VVSZLQHVBHVKIR-UHFFFAOYSA-N 1 0 308.357 0.128 10 0 DCAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccccc1C(=O)NC1CC1 ZINC000262121316 662090983 /nfs/dbraw/zinc/09/09/83/662090983.db2.gz KSEGVACBJRVGHB-LBPRGKRZSA-N 1 0 303.362 0.896 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000342750301 662600159 /nfs/dbraw/zinc/60/01/59/662600159.db2.gz BAYOJGFZZKEDHS-IACUBPJLSA-N 1 0 311.451 0.993 10 0 DCAERO CO[C@]1(C[NH2+]Cc2ccc(O)c(F)c2)CCS(=O)(=O)C1 ZINC000721256136 663086219 /nfs/dbraw/zinc/08/62/19/663086219.db2.gz QULJMZRHXFKESR-ZDUSSCGKSA-N 1 0 303.355 0.825 10 0 DCAERO COC(=O)[C@H]1C[C@H]1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630784 663100799 /nfs/dbraw/zinc/10/07/99/663100799.db2.gz MCTRHURNYKVXOV-KGLIPLIRSA-N 1 0 310.394 0.555 10 0 DCAERO Cc1nc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1C ZINC000250893714 663136321 /nfs/dbraw/zinc/13/63/21/663136321.db2.gz GLLOXFXOOXWICC-CHWSQXEVSA-N 1 0 312.439 0.881 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000183135089 665986798 /nfs/dbraw/zinc/98/67/98/665986798.db2.gz KBLBLXIIZYTVAX-NSHDSACASA-N 1 0 312.391 0.751 10 0 DCAERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150754053 664182728 /nfs/dbraw/zinc/18/27/28/664182728.db2.gz KQKXBBSZHMIATC-ZBFHGGJFSA-N 1 0 314.389 0.828 10 0 DCAERO COC(=O)[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000151655359 664710635 /nfs/dbraw/zinc/71/06/35/664710635.db2.gz DSTYLSCSFDVULH-UPJWGTAASA-N 1 0 306.362 0.780 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)C1CCOCC1 ZINC000261609457 664711341 /nfs/dbraw/zinc/71/13/41/664711341.db2.gz BBYNOZGCFXEMLU-MRXNPFEDSA-N 1 0 319.405 0.795 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352326789 665168670 /nfs/dbraw/zinc/16/86/70/665168670.db2.gz NYQXREPRRNECPY-UONOGXRCSA-N 1 0 311.451 0.852 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184217321 666191277 /nfs/dbraw/zinc/19/12/77/666191277.db2.gz YUAZSFFCGNKQLM-AWEZNQCLSA-N 1 0 307.419 0.895 10 0 DCAERO [NH3+]C[C@H]1CN(c2nccn3nc(C(F)(F)F)cc23)CCO1 ZINC000132290811 666267910 /nfs/dbraw/zinc/26/79/10/666267910.db2.gz NJVKRJQYIQFXTF-QMMMGPOBSA-N 1 0 301.272 0.912 10 0 DCAERO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702844022 667010327 /nfs/dbraw/zinc/01/03/27/667010327.db2.gz HRGXKFQMXNLGRJ-ZYHUDNBSSA-N 1 0 311.386 0.133 10 0 DCAERO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120871140 667361051 /nfs/dbraw/zinc/36/10/51/667361051.db2.gz PPULRKPXXZUBMR-STQMWFEESA-N 1 0 319.471 0.791 10 0 DCAERO COC(=O)c1csc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c1 ZINC000708348802 667442619 /nfs/dbraw/zinc/44/26/19/667442619.db2.gz FCHUNLIMSVJXGI-UHFFFAOYSA-N 1 0 320.436 0.952 10 0 DCAERO OCC[NH2+][C@H]1CCCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000708554840 667444291 /nfs/dbraw/zinc/44/42/91/667444291.db2.gz BYVZZTXESTXGAO-HNNXBMFYSA-N 1 0 316.409 0.268 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H](c2nccs2)C1 ZINC000710609568 667447175 /nfs/dbraw/zinc/44/71/75/667447175.db2.gz DWZVYCVEMOMIGA-QWRGUYRKSA-N 1 0 317.436 0.251 10 0 DCAERO CNS(=O)(=O)CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711388428 667461671 /nfs/dbraw/zinc/46/16/71/667461671.db2.gz CNSCVDWEBVMQQC-PHIMTYICSA-N 1 0 321.443 0.429 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000122374339 667620626 /nfs/dbraw/zinc/62/06/26/667620626.db2.gz WVYYCPLMMJCJHC-GFCCVEGCSA-N 1 0 307.460 0.793 10 0 DCAERO Cc1c([C@H]2C[N@H+](CCn3cccn3)C[C@@H]2C(N)=O)cnn1C ZINC000886071829 667728730 /nfs/dbraw/zinc/72/87/30/667728730.db2.gz AWGQCPJOUCMDEU-KGLIPLIRSA-N 1 0 302.382 0.126 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717080028 668408508 /nfs/dbraw/zinc/40/85/08/668408508.db2.gz JEENEUFRSFJJDQ-YUMQZZPRSA-N 1 0 312.317 0.618 10 0 DCAERO COc1ccc(C)cc1[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000040860753 669822652 /nfs/dbraw/zinc/82/26/52/669822652.db2.gz KQTNZXKDDRDGFY-LBPRGKRZSA-N 1 0 313.423 0.804 10 0 DCAERO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187685860 669947844 /nfs/dbraw/zinc/94/78/44/669947844.db2.gz SJIGRQQEYYSTGZ-DOMZBBRYSA-N 1 0 309.366 0.627 10 0 DCAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000191910580 670113283 /nfs/dbraw/zinc/11/32/83/670113283.db2.gz DTHVBFBYQXZADM-VXGBXAGGSA-N 1 0 310.398 0.909 10 0 DCAERO C[C@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2Br)CCO1 ZINC000712421180 670148868 /nfs/dbraw/zinc/14/88/68/670148868.db2.gz PMAJKARHSXRWGW-WPRPVWTQSA-N 1 0 303.204 0.731 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000713215164 670154179 /nfs/dbraw/zinc/15/41/79/670154179.db2.gz GDASNAHUBAGTRC-UHFFFAOYSA-N 1 0 318.830 0.980 10 0 DCAERO CN(C)c1ncc(C[NH2+]CC[C@H]2CCCS2(=O)=O)n1C ZINC000714356798 670184660 /nfs/dbraw/zinc/18/46/60/670184660.db2.gz LMFDPSMUURXPSB-GFCCVEGCSA-N 1 0 300.428 0.543 10 0 DCAERO O=C(NCc1ncc(Br)s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000714945526 670197688 /nfs/dbraw/zinc/19/76/88/670197688.db2.gz YFZPMTXJAYXHBI-PHDIDXHHSA-N 1 0 306.185 0.245 10 0 DCAERO Cc1nn(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(=O)c2ccccc12 ZINC000077353316 670394206 /nfs/dbraw/zinc/39/42/06/670394206.db2.gz HGBSBSZQUIBELX-SWLSCSKDSA-N 1 0 312.373 0.525 10 0 DCAERO CCCCN(C(=O)CC1CC([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000718085719 685304522 /nfs/dbraw/zinc/30/45/22/685304522.db2.gz JBYHZTAQFZOYKJ-WXRRBKDZSA-N 1 0 302.440 0.930 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000720895389 685317106 /nfs/dbraw/zinc/31/71/06/685317106.db2.gz XIYVMLKGPMGNBS-IVZWLZJFSA-N 1 0 315.361 0.785 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000720895390 685317267 /nfs/dbraw/zinc/31/72/67/685317267.db2.gz XIYVMLKGPMGNBS-OPRDCNLKSA-N 1 0 315.361 0.785 10 0 DCAERO COc1cncc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1 ZINC000721153965 685317607 /nfs/dbraw/zinc/31/76/07/685317607.db2.gz OULODKKXYNXZGN-ZDUSSCGKSA-N 1 0 300.380 0.384 10 0 DCAERO O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000227233822 1158668806 /nfs/dbraw/zinc/66/88/06/1158668806.db2.gz WRDBNWFGJLFGDC-XBFCOCLRSA-N 1 0 314.451 0.991 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cn1 ZINC000038031667 685056632 /nfs/dbraw/zinc/05/66/32/685056632.db2.gz FXLVAEOACVSWII-UHFFFAOYSA-N 1 0 313.199 0.712 10 0 DCAERO COc1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc(OC)c1O ZINC000066245800 685065218 /nfs/dbraw/zinc/06/52/18/685065218.db2.gz OORXOBPFQLTGTN-NSHDSACASA-N 1 0 309.366 0.993 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000245999216 685159827 /nfs/dbraw/zinc/15/98/27/685159827.db2.gz JOVFWFIXEKZLKB-QWHCGFSZSA-N 1 0 319.471 0.793 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248500645 685175408 /nfs/dbraw/zinc/17/54/08/685175408.db2.gz URQFVEZQFHJFGU-UONOGXRCSA-N 1 0 312.410 0.755 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374430284 685229997 /nfs/dbraw/zinc/22/99/97/685229997.db2.gz RXKLKAYCKPJCPL-UONOGXRCSA-N 1 0 311.451 0.898 10 0 DCAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000380817729 685237479 /nfs/dbraw/zinc/23/74/79/685237479.db2.gz DYRAGDROTJWZKE-GXSJLCMTSA-N 1 0 303.384 0.260 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000066972524 1173768101 /nfs/dbraw/zinc/76/81/01/1173768101.db2.gz JAVRLHIQEDSRLB-UHFFFAOYSA-N 1 0 315.421 0.827 10 0 DCAERO CCCn1cncc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090204118 1175386574 /nfs/dbraw/zinc/38/65/74/1175386574.db2.gz XAZONWRAQJVNQF-UHFFFAOYSA-N 1 0 300.428 0.807 10 0 DCAERO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000156334354 1180557181 /nfs/dbraw/zinc/55/71/81/1180557181.db2.gz KVBCJEBVNAYVCO-CQSZACIVSA-N 1 0 321.425 0.179 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[C@H]2O)CC1 ZINC000172544336 1183857313 /nfs/dbraw/zinc/85/73/13/1183857313.db2.gz WROGUPZPTVTABS-HUUCEWRRSA-N 1 0 312.458 0.617 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000252441983 282121385 /nfs/dbraw/zinc/12/13/85/282121385.db2.gz DQDLASWJNLWECL-OLZOCXBDSA-N 1 0 304.398 0.391 10 0 DCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000120668910 290660481 /nfs/dbraw/zinc/66/04/81/290660481.db2.gz OCHFQFRISNJFHD-GDBMZVCRSA-N 1 0 319.405 0.892 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000330319133 282222273 /nfs/dbraw/zinc/22/22/73/282222273.db2.gz RDZJLQRYCROIPQ-VHSXEESVSA-N 1 0 301.350 0.943 10 0 DCAERO COc1cc(C[NH2+]C[C@@H](O)CO)cc(Br)c1O ZINC000090282800 185289354 /nfs/dbraw/zinc/28/93/54/185289354.db2.gz ILMXYTIMWCJEPE-MRVPVSSYSA-N 1 0 306.156 0.606 10 0 DCAERO C[N@@H+]1C[C@@H](C(=O)NCc2ccc(C(N)=O)o2)[C@H](C(F)(F)F)C1 ZINC000299741751 529816833 /nfs/dbraw/zinc/81/68/33/529816833.db2.gz FUODWLBVOXNAJO-RKDXNWHRSA-N 1 0 319.283 0.735 10 0 DCAERO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097093509 185408454 /nfs/dbraw/zinc/40/84/54/185408454.db2.gz MKURGGSDDIARFS-RYUDHWBXSA-N 1 0 317.455 0.434 10 0 DCAERO OCCn1nccc1C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181670798 199335450 /nfs/dbraw/zinc/33/54/50/199335450.db2.gz VQYUSLVCVFQUON-GFCCVEGCSA-N 1 0 307.316 0.978 10 0 DCAERO CNC(=O)[C@H](NC(=O)NCCC[N@H+](C)CCOC)C(C)C ZINC000178451577 529919698 /nfs/dbraw/zinc/91/96/98/529919698.db2.gz NMTOISGCNRLTAK-GFCCVEGCSA-N 1 0 302.419 0.025 10 0 DCAERO CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])nc1C ZINC000234222627 201903144 /nfs/dbraw/zinc/90/31/44/201903144.db2.gz BIISEFMWKDPVGJ-CMPLNLGQSA-N 1 0 300.428 0.959 10 0 DCAERO 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303.406 0.794 10 0 DCAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091283638 193030205 /nfs/dbraw/zinc/03/02/05/193030205.db2.gz WOLDUPJAHBVCGY-NSHDSACASA-N 1 0 313.423 0.899 10 0 DCAERO CNC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000264908220 204260376 /nfs/dbraw/zinc/26/03/76/204260376.db2.gz DQYGRPDXIDMWDJ-DGCLKSJQSA-N 1 0 302.378 0.750 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc2c1ncnc2N ZINC000265070943 204378147 /nfs/dbraw/zinc/37/81/47/204378147.db2.gz NYMSRUZVDIHURZ-MNOVXSKESA-N 1 0 315.381 0.104 10 0 DCAERO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000571999501 291543638 /nfs/dbraw/zinc/54/36/38/291543638.db2.gz GFSPQJCSIXLDQU-LLVKDONJSA-N 1 0 305.334 0.126 10 0 DCAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000019966644 182170649 /nfs/dbraw/zinc/17/06/49/182170649.db2.gz RUONFDAJKRKNKH-VIFPVBQESA-N 1 0 300.336 0.116 10 0 DCAERO COc1ccc(OC)c([C@H](C)[NH2+]CCNS(C)(=O)=O)c1 ZINC000021014003 182260624 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CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(CC(F)(F)F)C1CC1 ZINC000042779010 183307658 /nfs/dbraw/zinc/30/76/58/183307658.db2.gz KPJAUXQFIWCEIY-QMMMGPOBSA-N 1 0 302.318 0.302 10 0 DCAERO COCCS(=O)(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000042807864 183311728 /nfs/dbraw/zinc/31/17/28/183311728.db2.gz XNGHGONIFOLALE-UHFFFAOYSA-N 1 0 304.334 0.579 10 0 DCAERO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802556 194132616 /nfs/dbraw/zinc/13/26/16/194132616.db2.gz FWUWFMOWQUEIRA-GFCCVEGCSA-N 1 0 320.397 0.223 10 0 DCAERO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000175008331 284828123 /nfs/dbraw/zinc/82/81/23/284828123.db2.gz AQOOXGABKRXORB-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO CCS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109821807 194290165 /nfs/dbraw/zinc/29/01/65/194290165.db2.gz SFGCQPBSXHACEF-AWEZNQCLSA-N 1 0 319.471 0.112 10 0 DCAERO CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262590255 295601374 /nfs/dbraw/zinc/60/13/74/295601374.db2.gz 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/nfs/dbraw/zinc/82/76/40/395827640.db2.gz UPLJESCQSYVHSI-UHFFFAOYSA-N 1 0 321.421 0.860 10 0 DCAERO Cn1nccc1C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000195504502 395829443 /nfs/dbraw/zinc/82/94/43/395829443.db2.gz BOEQATODARTLED-UHFFFAOYSA-N 1 0 319.409 0.930 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000113367585 395829610 /nfs/dbraw/zinc/82/96/10/395829610.db2.gz KFJITRCSFGXMOX-STQMWFEESA-N 1 0 319.471 0.983 10 0 DCAERO CC[NH+](CC)CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000050822590 395840368 /nfs/dbraw/zinc/84/03/68/395840368.db2.gz ZOTMDNRACCKHMN-OAHLLOKOSA-N 1 0 316.409 0.915 10 0 DCAERO Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786175 395845525 /nfs/dbraw/zinc/84/55/25/395845525.db2.gz UPIILCWYCVESOI-AWEZNQCLSA-N 1 0 308.426 0.759 10 0 DCAERO Cc1nn(C)c2ncc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc12 ZINC000116789988 395846439 /nfs/dbraw/zinc/84/64/39/395846439.db2.gz NZBGJLXHPIQGRJ-CYBMUJFWSA-N 1 0 317.393 0.679 10 0 DCAERO 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307.394 0.626 10 0 DCAERO C[C@H](C[NH3+])N(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000237609169 395916960 /nfs/dbraw/zinc/91/69/60/395916960.db2.gz RHLABAMGSVKEMF-SECBINFHSA-N 1 0 304.799 0.919 10 0 DCAERO CNC(=O)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000052329361 395862834 /nfs/dbraw/zinc/86/28/34/395862834.db2.gz ARJWDGJNXKFFQV-CABCVRRESA-N 1 0 323.437 0.614 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000225825711 395863732 /nfs/dbraw/zinc/86/37/32/395863732.db2.gz FXMRXUVPTGFQJY-OLZOCXBDSA-N 1 0 324.381 0.675 10 0 DCAERO Cc1cnn(CC[NH2+][C@H]2CCCN(c3cnn(C)c3)C2=O)c1 ZINC000119240945 395868744 /nfs/dbraw/zinc/86/87/44/395868744.db2.gz INFHXKGPUGQIOL-AWEZNQCLSA-N 1 0 302.382 0.710 10 0 DCAERO NC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000228688943 395872844 /nfs/dbraw/zinc/87/28/44/395872844.db2.gz DMLZKNFUNPKSQE-XVKPBYJWSA-N 1 0 323.176 0.169 10 0 DCAERO CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245399357 395928129 /nfs/dbraw/zinc/92/81/29/395928129.db2.gz AFAFHVIXKSKFJQ-QWHCGFSZSA-N 1 0 311.451 0.995 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000120621472 395882292 /nfs/dbraw/zinc/88/22/92/395882292.db2.gz WTGSSWGNFKTLJM-UHFFFAOYSA-N 1 0 305.378 0.541 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245793822 395936132 /nfs/dbraw/zinc/93/61/32/395936132.db2.gz DPKOTVNLHUEQAL-TZMCWYRMSA-N 1 0 310.442 0.138 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1C(=O)CCC1=O ZINC000246107588 395941779 /nfs/dbraw/zinc/94/17/79/395941779.db2.gz HOFRCTKDVMLEGD-STQMWFEESA-N 1 0 322.409 0.404 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246177438 395943343 /nfs/dbraw/zinc/94/33/43/395943343.db2.gz GSXNVTJWVHRBQC-KGLIPLIRSA-N 1 0 301.456 0.438 10 0 DCAERO NC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246207242 395943967 /nfs/dbraw/zinc/94/39/67/395943967.db2.gz ADRXNZWDXGYKEZ-LBPRGKRZSA-N 1 0 302.378 0.504 10 0 DCAERO 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/nfs/dbraw/zinc/97/32/95/395973295.db2.gz SQOAPAKRDRLCSW-HUUCEWRRSA-N 1 0 318.421 0.799 10 0 DCAERO O=c1[nH]c2ccc(S(=O)(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000247474006 395973869 /nfs/dbraw/zinc/97/38/69/395973869.db2.gz HQTQHDSEDBBNFY-JTQLQIEISA-N 1 0 322.390 0.325 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247455937 395974348 /nfs/dbraw/zinc/97/43/48/395974348.db2.gz ZXCFBNVCNPIYOB-CVEARBPZSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCCCN1CCCC1=O ZINC000247538787 395976222 /nfs/dbraw/zinc/97/62/22/395976222.db2.gz YFOSAKWFZKETDR-CABCVRRESA-N 1 0 322.453 0.284 10 0 DCAERO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248325046 395984572 /nfs/dbraw/zinc/98/45/72/395984572.db2.gz BARMBCPOVKHVCL-STQMWFEESA-N 1 0 317.393 0.459 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCC2(CC1)OCCO2 ZINC000248371971 395985216 /nfs/dbraw/zinc/98/52/16/395985216.db2.gz ZIDCHGLFEJQTRV-OAHLLOKOSA-N 1 0 323.437 0.522 10 0 DCAERO 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C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(-n2cnnn2)c1 ZINC000155337895 396049342 /nfs/dbraw/zinc/04/93/42/396049342.db2.gz IJVMEYJSINNBNU-RYUDHWBXSA-N 1 0 300.366 0.827 10 0 DCAERO C[NH+](C)C[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)CCO1 ZINC000155364998 396050337 /nfs/dbraw/zinc/05/03/37/396050337.db2.gz IFIBCIYGZYLEEG-AWEZNQCLSA-N 1 0 320.393 0.597 10 0 DCAERO CC(C)CNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261634122 396051005 /nfs/dbraw/zinc/05/10/05/396051005.db2.gz FEEHBZKUPIHVSI-AWEZNQCLSA-N 1 0 319.409 0.510 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261647498 396052472 /nfs/dbraw/zinc/05/24/72/396052472.db2.gz XPYNEYNUHSSVKL-LLVKDONJSA-N 1 0 304.803 0.448 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000155780501 396057601 /nfs/dbraw/zinc/05/76/01/396057601.db2.gz RGZURLSNXSQZET-GLKRBJQHSA-N 1 0 322.409 0.258 10 0 DCAERO [NH3+][C@H](C(=O)N1CCN(Cc2cscn2)CC1)C1CCOCC1 ZINC000261703075 396058099 /nfs/dbraw/zinc/05/80/99/396058099.db2.gz IFOFISHPXVFWGQ-AWEZNQCLSA-N 1 0 324.450 0.541 10 0 DCAERO CN1CC[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC1=O ZINC000261729173 396060271 /nfs/dbraw/zinc/06/02/71/396060271.db2.gz MNFFTSMXVRFIFY-OAHLLOKOSA-N 1 0 303.406 0.885 10 0 DCAERO COC[C@@]1(CNS(=O)(=O)c2c(Cl)cnn2C)CCC[NH2+]1 ZINC000261769680 396063307 /nfs/dbraw/zinc/06/33/07/396063307.db2.gz OOWGKBMHWSNREH-NSHDSACASA-N 1 0 322.818 0.120 10 0 DCAERO [NH3+][C@@H](C(=O)NCCCOC[C@H]1CCCO1)C1CCOCC1 ZINC000261865685 396073519 /nfs/dbraw/zinc/07/35/19/396073519.db2.gz SOMOUUXMVFANKG-ZIAGYGMSSA-N 1 0 300.399 0.442 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000159148711 396065833 /nfs/dbraw/zinc/06/58/33/396065833.db2.gz ZXCFBNVCNPIYOB-HOTGVXAUSA-N 1 0 324.469 0.977 10 0 DCAERO C[NH+](C)[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC000277464797 396069582 /nfs/dbraw/zinc/06/95/82/396069582.db2.gz OKVNKIMKYFFUHW-KGLIPLIRSA-N 1 0 305.426 0.968 10 0 DCAERO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249127763 396002543 /nfs/dbraw/zinc/00/25/43/396002543.db2.gz XNVUMJXMOIPPAW-QWHCGFSZSA-N 1 0 313.442 0.988 10 0 DCAERO COc1cccc(COC[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000249088081 396002667 /nfs/dbraw/zinc/00/26/67/396002667.db2.gz UDZSAKVBIIMQAG-UKRRQHHQSA-N 1 0 322.405 0.783 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249157472 396003917 /nfs/dbraw/zinc/00/39/17/396003917.db2.gz IPMQRFOEYBTUCG-DGCLKSJQSA-N 1 0 317.393 0.673 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000249181002 396004271 /nfs/dbraw/zinc/00/42/71/396004271.db2.gz NFTYZXNSVLRTAK-AAEUAGOBSA-N 1 0 318.377 0.019 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152411942 396009044 /nfs/dbraw/zinc/00/90/44/396009044.db2.gz NOMDOSDJJXUPHJ-DZGCQCFKSA-N 1 0 305.378 0.518 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249682327 396011569 /nfs/dbraw/zinc/01/15/69/396011569.db2.gz AEGHKRACXVNIIB-NWDGAFQWSA-N 1 0 312.414 0.016 10 0 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/nfs/dbraw/zinc/09/55/99/396095599.db2.gz ZMUJMNZQQWRZCG-AWEZNQCLSA-N 1 0 321.425 0.674 10 0 DCAERO CC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170845371 396098538 /nfs/dbraw/zinc/09/85/38/396098538.db2.gz LOVQPCJWKWASQT-CQSZACIVSA-N 1 0 303.362 0.990 10 0 DCAERO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2noc(CN)n2)CC1 ZINC000262175600 396106907 /nfs/dbraw/zinc/10/69/07/396106907.db2.gz ICWZSYZHNWORIS-ZIAGYGMSSA-N 1 0 322.457 0.519 10 0 DCAERO COCC[N@H+](C)CCNC(=O)NCc1cccnc1N(C)C ZINC000171196049 396109467 /nfs/dbraw/zinc/10/94/67/396109467.db2.gz ICQLLWVMSGKTDZ-UHFFFAOYSA-N 1 0 309.414 0.525 10 0 DCAERO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cnn2c1nc(C)cc2C ZINC000071278721 396111977 /nfs/dbraw/zinc/11/19/77/396111977.db2.gz ZMORWPUMQSIZCC-KGLIPLIRSA-N 1 0 316.409 0.384 10 0 DCAERO COCCOc1cccc(CNC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000262271296 396116734 /nfs/dbraw/zinc/11/67/34/396116734.db2.gz VVNBRQIUTIZQBT-CQSZACIVSA-N 1 0 308.378 0.707 10 0 DCAERO CC[C@@H](C)NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000171595176 396119523 /nfs/dbraw/zinc/11/95/23/396119523.db2.gz AVMIBJWYNJTZFI-CQSZACIVSA-N 1 0 307.442 0.843 10 0 DCAERO COc1cc(CN2CC[C@H](NC(=O)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262295100 396119605 /nfs/dbraw/zinc/11/96/05/396119605.db2.gz YJAGYWXEIHTOHZ-AWEZNQCLSA-N 1 0 319.405 0.614 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000262308051 396121513 /nfs/dbraw/zinc/12/15/13/396121513.db2.gz CLSIZNHCDNYFCG-MNOVXSKESA-N 1 0 324.406 0.451 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC000278466583 396126646 /nfs/dbraw/zinc/12/66/46/396126646.db2.gz SSPCJMHPDNIAJF-KGLIPLIRSA-N 1 0 305.426 0.908 10 0 DCAERO [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000262377326 396132726 /nfs/dbraw/zinc/13/27/26/396132726.db2.gz JRXWAAXGODTDSV-LLVKDONJSA-N 1 0 305.334 0.154 10 0 DCAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000172770550 396132903 /nfs/dbraw/zinc/13/29/03/396132903.db2.gz NAHHNZSDJBIARL-NSHDSACASA-N 1 0 310.398 0.260 10 0 DCAERO O=C(CCNC1=[NH+]CCCN1)N1CCN(c2ccccn2)CC1 ZINC000261867897 396074131 /nfs/dbraw/zinc/07/41/31/396074131.db2.gz OEBVKMCXHBGWGM-UHFFFAOYSA-N 1 0 316.409 0.059 10 0 DCAERO NC(=O)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCOCC1 ZINC000262438420 396140490 /nfs/dbraw/zinc/14/04/90/396140490.db2.gz MQNGMVRRMUVRAH-UPJWGTAASA-N 1 0 309.410 0.305 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000261935683 396081098 /nfs/dbraw/zinc/08/10/98/396081098.db2.gz TYQVAORPOBOFIO-ABAIWWIYSA-N 1 0 321.377 0.042 10 0 DCAERO COc1ccc(NC(=O)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263186077 396205051 /nfs/dbraw/zinc/20/50/51/396205051.db2.gz HJJKSXRDVNFUOF-GFCCVEGCSA-N 1 0 317.349 0.907 10 0 DCAERO CSc1cc2c(cc1CNC[C@H]1C[NH2+]C[C@H]1O)OCCO2 ZINC000263189051 396205179 /nfs/dbraw/zinc/20/51/79/396205179.db2.gz HQZBSTXWIIHBCW-NWDGAFQWSA-N 1 0 310.419 0.850 10 0 DCAERO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262547617 396153610 /nfs/dbraw/zinc/15/36/10/396153610.db2.gz SLHGAEXBLOOUSL-TUAOUCFPSA-N 1 0 319.188 0.866 10 0 DCAERO COc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1OCC(N)=O ZINC000262631979 396165248 /nfs/dbraw/zinc/16/52/48/396165248.db2.gz WPOJOVLWAUQAMP-UWVGGRQHSA-N 1 0 307.350 0.625 10 0 DCAERO COCC[NH2+]CCNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000262663974 396170018 /nfs/dbraw/zinc/17/00/18/396170018.db2.gz NXSSDENUXSDRLO-CYBMUJFWSA-N 1 0 306.410 0.894 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000177248701 396170478 /nfs/dbraw/zinc/17/04/78/396170478.db2.gz RUQLXHAXAAYCNR-LBPRGKRZSA-N 1 0 318.377 0.644 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCN1c1cccnn1 ZINC000262746473 396178577 /nfs/dbraw/zinc/17/85/77/396178577.db2.gz FUWKLLNXIXIOMD-STQMWFEESA-N 1 0 321.450 0.657 10 0 DCAERO Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177678440 396181150 /nfs/dbraw/zinc/18/11/50/396181150.db2.gz DGTIXLOVNUEPMJ-ZDUSSCGKSA-N 1 0 323.368 0.862 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000177773893 396183198 /nfs/dbraw/zinc/18/31/98/396183198.db2.gz XEUIUNXNFUAOOZ-GOEBONIOSA-N 1 0 322.453 0.236 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262809615 396183975 /nfs/dbraw/zinc/18/39/75/396183975.db2.gz XXDJPFIERVJJNR-VXGBXAGGSA-N 1 0 300.428 0.815 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)o1 ZINC000262814205 396184410 /nfs/dbraw/zinc/18/44/10/396184410.db2.gz YZDLBUFZUQPNBI-WCBMZHEXSA-N 1 0 316.379 0.651 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CC(=O)NCc2cccc(C)c2)CC1 ZINC000075962498 396190822 /nfs/dbraw/zinc/19/08/22/396190822.db2.gz WNVTZUZNDRLVBJ-KRWDZBQOSA-N 1 0 319.449 1.000 10 0 DCAERO Oc1ccc(Br)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263158288 396203458 /nfs/dbraw/zinc/20/34/58/396203458.db2.gz DPNVXQWCVXGCHR-CABZTGNLSA-N 1 0 301.184 0.825 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cnc3ccccn3c2=O)n1 ZINC000263167113 396204280 /nfs/dbraw/zinc/20/42/80/396204280.db2.gz FHBLLKQZRHQUQU-LLVKDONJSA-N 1 0 312.333 0.321 10 0 DCAERO COCc1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000182236525 396248740 /nfs/dbraw/zinc/24/87/40/396248740.db2.gz IGQKSPZPVFUPPQ-LBPRGKRZSA-N 1 0 312.414 0.741 10 0 DCAERO COc1ccnc(N2CC[NH+](CCCn3ccnc3)CC2)n1 ZINC000183174740 396263964 /nfs/dbraw/zinc/26/39/64/396263964.db2.gz VXMISLTYOKGZMM-UHFFFAOYSA-N 1 0 302.382 0.894 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1C ZINC000079514848 396265868 /nfs/dbraw/zinc/26/58/68/396265868.db2.gz ZOETZYSGLHPMAL-CQSZACIVSA-N 1 0 311.407 0.984 10 0 DCAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCCN(C(N)=O)CC1 ZINC000183609788 396272174 /nfs/dbraw/zinc/27/21/74/396272174.db2.gz ZCPQVFHNSBTKRA-ZDUSSCGKSA-N 1 0 324.812 0.823 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000183741756 396273722 /nfs/dbraw/zinc/27/37/22/396273722.db2.gz UECVNNYLTAKALL-HNNXBMFYSA-N 1 0 321.381 0.019 10 0 DCAERO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000184029321 396280810 /nfs/dbraw/zinc/28/08/10/396280810.db2.gz HEOSGSRXGRETCO-NSHDSACASA-N 1 0 308.407 0.961 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184310112 396289915 /nfs/dbraw/zinc/28/99/15/396289915.db2.gz XBTGTZNFSANCQU-AEJSXWLSSA-N 1 0 318.830 0.740 10 0 DCAERO CNC(=O)CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000184516025 396297891 /nfs/dbraw/zinc/29/78/91/396297891.db2.gz LNZLTAITEICAQX-KBPBESRZSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184736953 396303477 /nfs/dbraw/zinc/30/34/77/396303477.db2.gz PIZQHWLLGIUCMU-LERXQTSPSA-N 1 0 312.797 0.772 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)CC2 ZINC000185398354 396326680 /nfs/dbraw/zinc/32/66/80/396326680.db2.gz TVPUYBLGVUAOFO-LBPRGKRZSA-N 1 0 320.441 0.891 10 0 DCAERO C[C@H](C[NH+]1CCC(Cn2cncn2)CC1)CS(C)(=O)=O ZINC000186243775 396346100 /nfs/dbraw/zinc/34/61/00/396346100.db2.gz VTRXKHNMCBKFMD-GFCCVEGCSA-N 1 0 300.428 0.671 10 0 DCAERO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000284895843 396347839 /nfs/dbraw/zinc/34/78/39/396347839.db2.gz UBQGDKZBNHCHFU-MGPQQGTHSA-N 1 0 304.394 0.804 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000186734860 396356988 /nfs/dbraw/zinc/35/69/88/396356988.db2.gz FSHVYDUFDAYADT-JQWIXIFHSA-N 1 0 322.434 0.927 10 0 DCAERO Cc1nnc2ccc(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)cn12 ZINC000285853317 396358217 /nfs/dbraw/zinc/35/82/17/396358217.db2.gz QJTPHRDQBCVRRN-ZIAGYGMSSA-N 1 0 315.377 0.583 10 0 DCAERO Cc1ccn(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c(=O)c1 ZINC000285896137 396360824 /nfs/dbraw/zinc/36/08/24/396360824.db2.gz SOFHDDMOCNRIJB-UONOGXRCSA-N 1 0 305.378 0.088 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285981964 396367226 /nfs/dbraw/zinc/36/72/26/396367226.db2.gz XWJVFCXYROWXSY-IACUBPJLSA-N 1 0 321.377 0.329 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000186363927 396348944 /nfs/dbraw/zinc/34/89/44/396348944.db2.gz VWVITSHEQDNPGD-JQWIXIFHSA-N 1 0 308.382 0.731 10 0 DCAERO O=C(Cn1nc2ccccn2c1=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188733065 396385095 /nfs/dbraw/zinc/38/50/95/396385095.db2.gz AHTCJBSUOLENRL-UHFFFAOYSA-N 1 0 323.356 0.416 10 0 DCAERO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188864178 396388018 /nfs/dbraw/zinc/38/80/18/396388018.db2.gz IXBQUECSHDUPDW-LBPRGKRZSA-N 1 0 317.455 0.257 10 0 DCAERO CCN1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000189876043 396400040 /nfs/dbraw/zinc/40/00/40/396400040.db2.gz ZLJLMIDXCFNOGN-CYBMUJFWSA-N 1 0 324.425 0.319 10 0 DCAERO Cc1cc(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000189951884 396400667 /nfs/dbraw/zinc/40/06/67/396400667.db2.gz FPIXKAQGODLIAS-UHFFFAOYSA-N 1 0 306.414 0.644 10 0 DCAERO O=C(Cc1nc2ncccn2n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190747766 396411298 /nfs/dbraw/zinc/41/12/98/396411298.db2.gz OGXODBOILPBBEW-NSHDSACASA-N 1 0 300.366 0.410 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000193151514 396444810 /nfs/dbraw/zinc/44/48/10/396444810.db2.gz GXUFBDROROPLFL-UHFFFAOYSA-N 1 0 305.378 0.637 10 0 DCAERO CN1C(=O)NC2(CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1=O ZINC000191021632 396413808 /nfs/dbraw/zinc/41/38/08/396413808.db2.gz VISSARUPDNZEDU-CYBMUJFWSA-N 1 0 309.410 0.944 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191035136 396414489 /nfs/dbraw/zinc/41/44/89/396414489.db2.gz GPXDOQLMDREFPW-ZIAGYGMSSA-N 1 0 304.456 0.941 10 0 DCAERO CN(C)c1noc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000192765196 396437167 /nfs/dbraw/zinc/43/71/67/396437167.db2.gz IHTFDQFTEBKPEL-CQSZACIVSA-N 1 0 322.457 0.738 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CN1CCOCC1 ZINC000192788185 396437217 /nfs/dbraw/zinc/43/72/17/396437217.db2.gz IKMVUFFEPZTAJI-UONOGXRCSA-N 1 0 300.447 0.737 10 0 DCAERO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccnn1C ZINC000193009856 396442105 /nfs/dbraw/zinc/44/21/05/396442105.db2.gz XMPBPEFXVXWTDP-RYUDHWBXSA-N 1 0 302.382 1.000 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000187945888 396377144 /nfs/dbraw/zinc/37/71/44/396377144.db2.gz FLOWJQSLFIKNLG-GXTWGEPZSA-N 1 0 323.368 0.978 10 0 DCAERO CNC(=O)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188079369 396378313 /nfs/dbraw/zinc/37/83/13/396378313.db2.gz NWMCUSSXZBZFAM-QGZVFWFLSA-N 1 0 319.405 0.218 10 0 DCAERO CCS(=O)(=O)NCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188108809 396378873 /nfs/dbraw/zinc/37/88/73/396378873.db2.gz BMMJOCZMRYJJNN-STQMWFEESA-N 1 0 318.464 0.695 10 0 DCAERO CCC[NH2+]CCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000193347303 396449202 /nfs/dbraw/zinc/44/92/02/396449202.db2.gz CMKKOZYFPNSYNZ-UHFFFAOYSA-N 1 0 316.427 0.005 10 0 DCAERO CCOCCOCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000193347323 396449409 /nfs/dbraw/zinc/44/94/09/396449409.db2.gz OAZNLOHYTYPILN-UHFFFAOYSA-N 1 0 319.365 0.922 10 0 DCAERO CCn1ncnc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000193341239 396449632 /nfs/dbraw/zinc/44/96/32/396449632.db2.gz QDFXGHFVRJTOQP-HNNXBMFYSA-N 1 0 306.458 0.900 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000527343642 396534796 /nfs/dbraw/zinc/53/47/96/396534796.db2.gz RMDUSFYZBIMFEZ-UHFFFAOYSA-N 1 0 321.377 0.806 10 0 DCAERO CCC[NH+]1CCC(NC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)CC1 ZINC000527643917 396546960 /nfs/dbraw/zinc/54/69/60/396546960.db2.gz YFGHMCKNBLQRPP-WCQYABFASA-N 1 0 312.414 0.145 10 0 DCAERO C[C@]1(CO)C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@]1(C)CO ZINC000528754342 396565199 /nfs/dbraw/zinc/56/51/99/396565199.db2.gz YOVAJLZQWGPZKM-OKZBNKHCSA-N 1 0 323.433 0.877 10 0 DCAERO COC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)[nH]1 ZINC000293972034 396645096 /nfs/dbraw/zinc/64/50/96/396645096.db2.gz QPUSPPMDTNINNT-STQMWFEESA-N 1 0 307.350 0.346 10 0 DCAERO O=C1CCC(=O)N1CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000562319374 396656995 /nfs/dbraw/zinc/65/69/95/396656995.db2.gz YVXVNOJETVBUMW-OAHLLOKOSA-N 1 0 318.373 0.915 10 0 DCAERO 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/nfs/dbraw/zinc/37/50/46/397375046.db2.gz MEMNCIBXZKNGRW-GDBMZVCRSA-N 1 0 311.426 0.303 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000367488660 397402685 /nfs/dbraw/zinc/40/26/85/397402685.db2.gz CQLCBHWEEGZWRK-QGZVFWFLSA-N 1 0 303.406 0.751 10 0 DCAERO CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000370324665 397469446 /nfs/dbraw/zinc/46/94/46/397469446.db2.gz JEDRBUTYZMIYQY-LSDHHAIUSA-N 1 0 322.453 0.284 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000261655050 296559900 /nfs/dbraw/zinc/55/99/00/296559900.db2.gz VONDGXDYYBYMKF-MROQNXINSA-N 1 0 305.444 0.400 10 0 DCAERO Cc1cc(C(=O)NCCCC[NH+](C)C)ccc1S(N)(=O)=O ZINC000605663210 397670943 /nfs/dbraw/zinc/67/09/43/397670943.db2.gz DSGKPDYPIOZRPA-UHFFFAOYSA-N 1 0 313.423 0.714 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(O)(C(F)(F)F)CC2)[N@H+](C)C1 ZINC000408043693 286081420 /nfs/dbraw/zinc/08/14/20/286081420.db2.gz LAKVBQYMUARUPW-UWVGGRQHSA-N 1 0 310.316 0.621 10 0 DCAERO 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C[C@H]1OCC[C@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000129277658 158287782 /nfs/dbraw/zinc/28/77/82/158287782.db2.gz RXPQRFHOZFWDFP-VNHYZAJKSA-N 1 0 311.426 0.964 10 0 DCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000130511355 158296298 /nfs/dbraw/zinc/29/62/98/158296298.db2.gz DRHHAAQYVKFPRG-ABAIWWIYSA-N 1 0 324.429 0.287 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000134467268 158327402 /nfs/dbraw/zinc/32/74/02/158327402.db2.gz LQJZLXGYXLLPQM-GFCCVEGCSA-N 1 0 311.407 0.340 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000137195199 158345243 /nfs/dbraw/zinc/34/52/43/158345243.db2.gz XAYKGVQTAKSQDQ-ZBFHGGJFSA-N 1 0 313.442 0.807 10 0 DCAERO O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000167975372 158371089 /nfs/dbraw/zinc/37/10/89/158371089.db2.gz XAXNQODQLGBEDQ-NVXWUHKLSA-N 1 0 321.396 0.566 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000170827732 158376877 /nfs/dbraw/zinc/37/68/77/158376877.db2.gz 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ZINC000248646814 158693890 /nfs/dbraw/zinc/69/38/90/158693890.db2.gz HRAPRWBQZXPJQK-BZUAXINKSA-N 1 0 300.443 0.817 10 0 DCAERO C[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 ZINC000248596534 158694148 /nfs/dbraw/zinc/69/41/48/158694148.db2.gz MNFZVOCJXCCOGX-YWPYICTPSA-N 1 0 318.373 0.801 10 0 DCAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)ccn1 ZINC000261633776 158724383 /nfs/dbraw/zinc/72/43/83/158724383.db2.gz CELQBZLQWLJDCC-ZDUSSCGKSA-N 1 0 312.377 0.729 10 0 DCAERO C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261845005 158744927 /nfs/dbraw/zinc/74/49/27/158744927.db2.gz VGRUVINIUGMJIF-DMDPSCGWSA-N 1 0 302.440 0.786 10 0 DCAERO O=C(c1cccc(CNC2=[NH+]CCCN2)c1)N1CCOCC1 ZINC000261899381 158751289 /nfs/dbraw/zinc/75/12/89/158751289.db2.gz VRNZZGXLGDSOEB-UHFFFAOYSA-N 1 0 302.378 0.598 10 0 DCAERO COc1cc(OC)cc(N2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000261957710 158758372 /nfs/dbraw/zinc/75/83/72/158758372.db2.gz AGZNQBPDDWCKCT-IAQYHMDHSA-N 1 0 305.378 0.761 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BLNKBXDNASYAFA-GFCCVEGCSA-N 1 0 300.366 0.852 10 0 DCAERO NC(=O)c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000301698906 416090901 /nfs/dbraw/zinc/09/09/01/416090901.db2.gz CNIZGZAYCNSARL-RYUDHWBXSA-N 1 0 305.382 0.001 10 0 DCAERO C[C@@H](O)CC(C)(C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175004144 416093708 /nfs/dbraw/zinc/09/37/08/416093708.db2.gz WHJREHLKZWCQFW-QWHCGFSZSA-N 1 0 301.431 0.803 10 0 DCAERO CCC[N@H+](CC)CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000175362455 416103682 /nfs/dbraw/zinc/10/36/82/416103682.db2.gz MIJXRWBONZYVQO-CHWSQXEVSA-N 1 0 307.460 0.662 10 0 DCAERO C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000357600982 416103686 /nfs/dbraw/zinc/10/36/86/416103686.db2.gz SRINLUYVNDKVHF-LLVKDONJSA-N 1 0 318.377 0.428 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175352965 416104300 /nfs/dbraw/zinc/10/43/00/416104300.db2.gz PRADBFKLGRSKEF-AWEZNQCLSA-N 1 0 312.458 0.387 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)C(C)C)CC1 ZINC000175816305 416114084 /nfs/dbraw/zinc/11/40/84/416114084.db2.gz NVQQEROZEPZYLH-GJZGRUSLSA-N 1 0 314.474 0.576 10 0 DCAERO CCCC[C@H](NC(N)=O)C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328625007 416123165 /nfs/dbraw/zinc/12/31/65/416123165.db2.gz KFXGLPAMBLFGHO-MNOVXSKESA-N 1 0 308.386 0.997 10 0 DCAERO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328623892 416123252 /nfs/dbraw/zinc/12/32/52/416123252.db2.gz CCBTVWYSBVVTSV-CWRNSKLLSA-N 1 0 310.442 0.742 10 0 DCAERO CCCC[C@@H](NC(N)=O)C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328625006 416123778 /nfs/dbraw/zinc/12/37/78/416123778.db2.gz KFXGLPAMBLFGHO-GHMZBOCLSA-N 1 0 308.386 0.997 10 0 DCAERO C[C@H](CNC(=O)c1ncncc1Cl)C[NH+]1CCN(C)CC1 ZINC000176490484 416127693 /nfs/dbraw/zinc/12/76/93/416127693.db2.gz OKBOUFAMNXBFTO-LLVKDONJSA-N 1 0 311.817 0.743 10 0 DCAERO CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000357797869 416134157 /nfs/dbraw/zinc/13/41/57/416134157.db2.gz SQNPOUCCGDKYGM-KBPBESRZSA-N 1 0 310.442 0.981 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@H]3CCO[C@H]3C)[C@H]2C1 ZINC000328821077 416134562 /nfs/dbraw/zinc/13/45/62/416134562.db2.gz HRBDCAIBJIPGCF-FQUUOJAGSA-N 1 0 318.439 0.289 10 0 DCAERO CN(CC(=O)N1CCN2C(=O)NC[C@@H]2C1)Cc1ccccc1 ZINC000177506777 416146930 /nfs/dbraw/zinc/14/69/30/416146930.db2.gz UTMPKYQRBPXRTO-CQSZACIVSA-N 1 0 302.378 0.354 10 0 DCAERO O=C([C@@H]1COCCN1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000178828509 416174382 /nfs/dbraw/zinc/17/43/82/416174382.db2.gz ICJRSRSVNWHBRK-HNNXBMFYSA-N 1 0 311.426 0.078 10 0 DCAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000178922905 416177406 /nfs/dbraw/zinc/17/74/06/416177406.db2.gz DFKUYESPLKTEOG-JTQLQIEISA-N 1 0 311.407 0.533 10 0 DCAERO O=C(NC[C@@H]1CN2CCN1CC2)c1cc(F)cc2[nH]cnc21 ZINC000178974606 416179617 /nfs/dbraw/zinc/17/96/17/416179617.db2.gz RGJQGTZHBQPPKW-LLVKDONJSA-N 1 0 303.341 0.432 10 0 DCAERO Cc1ccc([C@H]2CN(Cc3cc(=O)n(C)c(=O)n3C)CCO2)o1 ZINC000179503113 416188513 /nfs/dbraw/zinc/18/85/13/416188513.db2.gz AMLGKEATIPDNCQ-CQSZACIVSA-N 1 0 319.361 0.559 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000329962012 416193723 /nfs/dbraw/zinc/19/37/23/416193723.db2.gz RWHRABXLVMERAT-QVHKTLOISA-N 1 0 304.394 0.518 10 0 DCAERO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000182045729 416214023 /nfs/dbraw/zinc/21/40/23/416214023.db2.gz BVCVCCICEBSRIW-UKRRQHHQSA-N 1 0 318.421 0.653 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000183349159 416240569 /nfs/dbraw/zinc/24/05/69/416240569.db2.gz AWUXUZGCTQXHIA-QWHCGFSZSA-N 1 0 310.442 0.884 10 0 DCAERO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000190322384 416277895 /nfs/dbraw/zinc/27/78/95/416277895.db2.gz HNDFEMZUAJONLU-AWEZNQCLSA-N 1 0 304.456 0.895 10 0 DCAERO CC[C@@H]1CN(CC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000183759459 416249737 /nfs/dbraw/zinc/24/97/37/416249737.db2.gz RSDYRCOVWSXJOR-CQSZACIVSA-N 1 0 304.394 0.778 10 0 DCAERO Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1S(N)(=O)=O ZINC000186839131 416259147 /nfs/dbraw/zinc/25/91/47/416259147.db2.gz VRLVBTQFBTVLKV-CABZTGNLSA-N 1 0 311.407 0.370 10 0 DCAERO CC(C)[C@](C)(O)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000187462403 416261097 /nfs/dbraw/zinc/26/10/97/416261097.db2.gz QOERFMIMDRUFKW-OAHLLOKOSA-N 1 0 318.483 0.588 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N(C)CCN2CCOCC2)CC1 ZINC000358666205 416264433 /nfs/dbraw/zinc/26/44/33/416264433.db2.gz NBOIYUKTTAXDJB-UHFFFAOYSA-N 1 0 310.442 0.612 10 0 DCAERO Cc1cccc(C)c1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190040048 416273064 /nfs/dbraw/zinc/27/30/64/416273064.db2.gz URZWZSOEAMTSOW-CQSZACIVSA-N 1 0 319.405 0.767 10 0 DCAERO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000247380453 416332756 /nfs/dbraw/zinc/33/27/56/416332756.db2.gz PTBORQITVFRBOQ-UTUOFQBUSA-N 1 0 305.444 0.447 10 0 DCAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000247403107 416332825 /nfs/dbraw/zinc/33/28/25/416332825.db2.gz PNVXWSKQYXXBBJ-VGWMRTNUSA-N 1 0 324.469 0.974 10 0 DCAERO CC[C@@H]1CCCCN1C(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261985357 416335882 /nfs/dbraw/zinc/33/58/82/416335882.db2.gz SAFPFBAFNXQLMX-CQSZACIVSA-N 1 0 310.442 0.141 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(Cc3ccncc3)CC2)CCOCC1 ZINC000262062510 416336237 /nfs/dbraw/zinc/33/62/37/416336237.db2.gz FDNTYGPOCWARDO-UHFFFAOYSA-N 1 0 304.394 0.234 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@H]1CC ZINC000262359256 416336824 /nfs/dbraw/zinc/33/68/24/416336824.db2.gz VARFPMLJMVDBJN-KFWWJZLASA-N 1 0 313.442 0.323 10 0 DCAERO CCCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@H]1CC[NH2+]C1 ZINC000262568133 416337010 /nfs/dbraw/zinc/33/70/10/416337010.db2.gz FMWXEMYXSBYSAC-ZDUSSCGKSA-N 1 0 308.430 0.156 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000359589875 416352006 /nfs/dbraw/zinc/35/20/06/416352006.db2.gz IGNWJRNAAKETMK-UONOGXRCSA-N 1 0 309.410 0.176 10 0 DCAERO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000195092200 416325140 /nfs/dbraw/zinc/32/51/40/416325140.db2.gz DULOUQLUOUPTRH-CYBMUJFWSA-N 1 0 305.378 0.379 10 0 DCAERO CCCCOC[C@@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000195181571 416325474 /nfs/dbraw/zinc/32/54/74/416325474.db2.gz MAAOZKNGOMLQPB-HOTGVXAUSA-N 1 0 300.443 0.818 10 0 DCAERO CC1=C(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)n2ncnc2N1C ZINC000195246682 416325641 /nfs/dbraw/zinc/32/56/41/416325641.db2.gz LQDJCPOLZHQLPO-CHWSQXEVSA-N 1 0 316.409 0.870 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000245668972 416331305 /nfs/dbraw/zinc/33/13/05/416331305.db2.gz FDQUZCQGPCZCCA-MJBXVCDLSA-N 1 0 318.425 0.861 10 0 DCAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCNC(=O)CC1 ZINC000246379934 416331776 /nfs/dbraw/zinc/33/17/76/416331776.db2.gz HLPRTDMFBXAJAF-MJBXVCDLSA-N 1 0 310.442 0.884 10 0 DCAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000360802255 416410788 /nfs/dbraw/zinc/41/07/88/416410788.db2.gz SEQYPOLNPMTIKM-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCS1(=O)=O ZINC000423202776 416478068 /nfs/dbraw/zinc/47/80/68/416478068.db2.gz LFSVISFXIQPZQN-AAEUAGOBSA-N 1 0 302.440 0.930 10 0 DCAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CN2CSCC2=O)C1 ZINC000583619790 416480785 /nfs/dbraw/zinc/48/07/85/416480785.db2.gz HCCZSGFTNDYQBM-YUMQZZPRSA-N 1 0 311.329 0.400 10 0 DCAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458799359 416500417 /nfs/dbraw/zinc/50/04/17/416500417.db2.gz BJQZBNZDAAAXDL-QWHCGFSZSA-N 1 0 312.418 0.059 10 0 DCAERO C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1[NH+](C)C ZINC000607971982 416648012 /nfs/dbraw/zinc/64/80/12/416648012.db2.gz RKMXYISROROBOH-RYUDHWBXSA-N 1 0 322.409 0.260 10 0 DCAERO C[N@H+](CCCO)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000440962615 416655435 /nfs/dbraw/zinc/65/54/35/416655435.db2.gz VEYNPURZXFCAMN-UHFFFAOYSA-N 1 0 300.424 0.762 10 0 DCAERO 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SUWWKNUFTYEDNF-CABCVRRESA-N 1 0 312.410 0.810 10 0 DCAERO Cc1cc(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(=O)[nH]1 ZINC000266949164 524224393 /nfs/dbraw/zinc/22/43/93/524224393.db2.gz XBLJCSANYKYCIB-CHWSQXEVSA-N 1 0 307.394 0.931 10 0 DCAERO C[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)[C@@H]1CO ZINC000190413798 524501423 /nfs/dbraw/zinc/50/14/23/524501423.db2.gz BEDWQDMBMBFWKU-RHSMWYFYSA-N 1 0 317.433 0.868 10 0 DCAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000105933533 524539276 /nfs/dbraw/zinc/53/92/76/524539276.db2.gz GCMOXQNTWCNTKT-ZBFHGGJFSA-N 1 0 305.422 0.920 10 0 DCAERO CSCC[C@H]([NH3+])C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000157360173 525579099 /nfs/dbraw/zinc/57/90/99/525579099.db2.gz SXBYQEHGLMZGED-MNOVXSKESA-N 1 0 316.496 0.702 10 0 DCAERO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)s1 ZINC000262317410 526109819 /nfs/dbraw/zinc/10/98/19/526109819.db2.gz CEGUISJUABBKSD-RYUDHWBXSA-N 1 0 323.418 0.064 10 0 DCAERO 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/nfs/dbraw/zinc/12/47/93/527124793.db2.gz BGHWFBJFMLHDMI-OAHLLOKOSA-N 1 0 311.389 0.938 10 0 DCAERO OC[C@H]1CCCN1c1cc(NCC[N@@H+]2CCCOCC2)ncn1 ZINC000188491510 527617354 /nfs/dbraw/zinc/61/73/54/527617354.db2.gz SUGZXXFIXHHFGF-CQSZACIVSA-N 1 0 321.425 0.572 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000173264249 527759415 /nfs/dbraw/zinc/75/94/15/527759415.db2.gz UIGZARYHUKHVAZ-DGCLKSJQSA-N 1 0 300.428 0.771 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C12CCC2 ZINC000187830501 527832594 /nfs/dbraw/zinc/83/25/94/527832594.db2.gz ONRVFASSHCWMBG-CHWSQXEVSA-N 1 0 302.440 0.815 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC2(CO)CC2)C1 ZINC000186841309 528011880 /nfs/dbraw/zinc/01/18/80/528011880.db2.gz QOBFGJJTDNTWON-AWEZNQCLSA-N 1 0 313.442 0.757 10 0 DCAERO CCCCNC(=O)NC(=O)CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000174092554 528516152 /nfs/dbraw/zinc/51/61/52/528516152.db2.gz GACOLVHDLVFOMT-ZDUSSCGKSA-N 1 0 314.430 0.001 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193299691 528529188 /nfs/dbraw/zinc/52/91/88/528529188.db2.gz ONTANMPFNDGWJI-UHFFFAOYSA-N 1 0 318.377 0.537 10 0 DCAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000054308664 545657190 /nfs/dbraw/zinc/65/71/90/545657190.db2.gz ISGAWTILNPKGIX-NSHDSACASA-N 1 0 311.407 0.971 10 0 DCAERO CN(Cc1cc(=O)n2cc(Br)ccc2n1)C1C[NH2+]C1 ZINC000090290459 545715452 /nfs/dbraw/zinc/71/54/52/545715452.db2.gz FASZPQDUVXNGFY-UHFFFAOYSA-N 1 0 323.194 0.861 10 0 DCAERO COCCN(C(=O)C[C@@H]([NH3+])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000136379930 545806660 /nfs/dbraw/zinc/80/66/60/545806660.db2.gz KMOVHJOXKNGJPK-VXGBXAGGSA-N 1 0 306.428 0.022 10 0 DCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000136400919 545806799 /nfs/dbraw/zinc/80/67/99/545806799.db2.gz VNGLBDJAOITOQH-NEPJUHHUSA-N 1 0 305.444 0.148 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)NCCCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000176484573 545888461 /nfs/dbraw/zinc/88/84/61/545888461.db2.gz 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/nfs/dbraw/zinc/98/19/95/545981995.db2.gz LOERPBHKZSKJQY-HUUCEWRRSA-N 1 0 300.362 0.242 10 0 DCAERO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262277521 545983052 /nfs/dbraw/zinc/98/30/52/545983052.db2.gz NMVMOWJOZVMWFL-PSASIEDQSA-N 1 0 303.284 0.719 10 0 DCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2Cn2ccnn2)C[C@@H](C)O1 ZINC000328933873 546041079 /nfs/dbraw/zinc/04/10/79/546041079.db2.gz ITZURSIBKDQOPP-MCIONIFRSA-N 1 0 307.398 0.378 10 0 DCAERO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000329348469 546046481 /nfs/dbraw/zinc/04/64/81/546046481.db2.gz DNTIOAYPEFKDAW-OAHLLOKOSA-N 1 0 323.437 0.570 10 0 DCAERO COCC1(CNC(=O)N2CCNC[C@@](C)(F)C2)CC[NH2+]CC1 ZINC000333634327 546087990 /nfs/dbraw/zinc/08/79/90/546087990.db2.gz HDKUBSYKUIUXQC-CQSZACIVSA-N 1 0 316.421 0.346 10 0 DCAERO C[C@@H](COCc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000390737560 546220428 /nfs/dbraw/zinc/22/04/28/546220428.db2.gz JNAPZPZPUNCJEO-LBPRGKRZSA-N 1 0 303.366 0.572 10 0 DCAERO CCCNC(=O)CN(CCC)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722244935 660492876 /nfs/dbraw/zinc/49/28/76/660492876.db2.gz REHMERRALCAIHC-GFCCVEGCSA-N 1 0 305.444 0.306 10 0 DCAERO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)[C@H]1C(C)C ZINC000888095397 661165976 /nfs/dbraw/zinc/16/59/76/661165976.db2.gz YEMYLLQFZURPHL-SRABZTEZSA-N 1 0 320.437 0.938 10 0 DCAERO O=C(N1CCOCC1)[C@]12C[N@H+](Cc3ccon3)C[C@H]1COCC2 ZINC000888097239 661176467 /nfs/dbraw/zinc/17/64/67/661176467.db2.gz FXPAGDUFXHRLRO-XJKSGUPXSA-N 1 0 321.377 0.372 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000337165501 661251020 /nfs/dbraw/zinc/25/10/20/661251020.db2.gz XQKPJPGQQFPHEG-HSMVNMDESA-N 1 0 322.409 0.306 10 0 DCAERO COCC[N@H+](C)C[C@@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724204521 658053309 /nfs/dbraw/zinc/05/33/09/658053309.db2.gz LMZLDGQGIWQZLC-SNVBAGLBSA-N 1 0 300.321 0.189 10 0 DCAERO Cn1nnc(Br)c1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000310469363 658648658 /nfs/dbraw/zinc/64/86/58/658648658.db2.gz AVTBRKHPXLRSEQ-ZETCQYMHSA-N 1 0 302.176 0.402 10 0 DCAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CCc2ccncc2)C1 ZINC000888076994 658717411 /nfs/dbraw/zinc/71/74/11/658717411.db2.gz BSSAHOTXWMVXGZ-INIZCTEOSA-N 1 0 301.394 0.822 10 0 DCAERO C[N@@H+]1CC[C@](N)(c2nc(CCn3nnc4ccccc43)no2)C1 ZINC000888078028 658721545 /nfs/dbraw/zinc/72/15/45/658721545.db2.gz BSYDHXWHEIGTIJ-OAHLLOKOSA-N 1 0 313.365 0.547 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCSC(F)(F)F ZINC000310922378 659022752 /nfs/dbraw/zinc/02/27/52/659022752.db2.gz HJDBPOVWNVZYBF-ZETCQYMHSA-N 1 0 308.347 0.147 10 0 DCAERO Cc1nnc(NC(=O)CCC(=O)N[C@H]2C[NH+]3CCC2CC3)s1 ZINC000222534851 661619184 /nfs/dbraw/zinc/61/91/84/661619184.db2.gz FPENNUWODOSYLL-NSHDSACASA-N 1 0 323.422 0.776 10 0 DCAERO O=C(CCCC(=O)N1CCOCC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000222572792 661621890 /nfs/dbraw/zinc/62/18/90/661621890.db2.gz VLGSJJYMODJICU-AWEZNQCLSA-N 1 0 309.410 0.226 10 0 DCAERO COC(=O)c1cc(CN(C)CC(=O)N2CC[NH2+]CC2)oc1C ZINC000261989735 661945640 /nfs/dbraw/zinc/94/56/40/661945640.db2.gz SVTPMOZJZUGONL-UHFFFAOYSA-N 1 0 309.366 0.238 10 0 DCAERO CCOC(=O)c1csc(CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000526062626 662497703 /nfs/dbraw/zinc/49/77/03/662497703.db2.gz FWLAMBNFHSJWIO-JTQLQIEISA-N 1 0 311.407 0.930 10 0 DCAERO CN(C)C(=O)c1c[nH]nc1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000898798010 663108258 /nfs/dbraw/zinc/10/82/58/663108258.db2.gz WRSFFPVTMVSEHE-GFCCVEGCSA-N 1 0 305.382 0.924 10 0 DCAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900615563 663261722 /nfs/dbraw/zinc/26/17/22/663261722.db2.gz AAYSNFNYYZRDFZ-XJKCOSOUSA-N 1 0 321.425 0.459 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)C1(C)C ZINC000721263806 663285156 /nfs/dbraw/zinc/28/51/56/663285156.db2.gz YIRCCMDHIQAJTO-BZPMIXESSA-N 1 0 305.440 0.983 10 0 DCAERO CC(C)(C(=O)NC[C@@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000157002948 664409290 /nfs/dbraw/zinc/40/92/90/664409290.db2.gz IKWWHJWOPMOEGP-LLVKDONJSA-N 1 0 303.497 0.635 10 0 DCAERO COCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000152468986 664754081 /nfs/dbraw/zinc/75/40/81/664754081.db2.gz YPAIADOGUWHOJH-CQSZACIVSA-N 1 0 322.409 0.188 10 0 DCAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000730936074 664828879 /nfs/dbraw/zinc/82/88/79/664828879.db2.gz ICRJIEHCBGVPFM-AWEZNQCLSA-N 1 0 318.421 0.990 10 0 DCAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1COCCN1C ZINC000700188757 664969331 /nfs/dbraw/zinc/96/93/31/664969331.db2.gz DWXOVZRJQVZNMP-JTQLQIEISA-N 1 0 303.204 0.603 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449697985 666504592 /nfs/dbraw/zinc/50/45/92/666504592.db2.gz MQBSUJUHADVKLT-MELADBBJSA-N 1 0 311.451 0.756 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700902119 666779523 /nfs/dbraw/zinc/77/95/23/666779523.db2.gz NILXMFOORSSWDP-VWYCJHECSA-N 1 0 306.453 0.021 10 0 DCAERO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702331252 666943149 /nfs/dbraw/zinc/94/31/49/666943149.db2.gz YTURWYRASFGLBC-XIRDDKMYSA-N 1 0 318.465 0.902 10 0 DCAERO CCOC(=O)[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702404427 666954962 /nfs/dbraw/zinc/95/49/62/666954962.db2.gz ZHDUHVOWLHXTJL-TZMCWYRMSA-N 1 0 307.394 0.514 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)Nc1cc(Br)ccc1O ZINC000702420067 666955643 /nfs/dbraw/zinc/95/56/43/666955643.db2.gz ZAJUGCPPBPZSRP-QMMMGPOBSA-N 1 0 302.172 0.982 10 0 DCAERO CO[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702618409 666972832 /nfs/dbraw/zinc/97/28/32/666972832.db2.gz ASYBIPIAPGKWKU-BFYDXBDKSA-N 1 0 304.390 0.775 10 0 DCAERO CN(Cc1cnccn1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735582329 667008462 /nfs/dbraw/zinc/00/84/62/667008462.db2.gz XIMDSBZAIGOEEM-ZIAGYGMSSA-N 1 0 305.382 0.481 10 0 DCAERO O=C(/C=C/c1ccc(Br)o1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702843006 667010233 /nfs/dbraw/zinc/01/02/33/667010233.db2.gz ZCSVZFFLCKGXSM-ZWCINGSQSA-N 1 0 315.167 0.752 10 0 DCAERO [NH3+]C[C@]1(CO)COCCN1Cc1ccncc1Br ZINC000702846467 667010745 /nfs/dbraw/zinc/01/07/45/667010745.db2.gz WSPGBMQKLXBNNU-LBPRGKRZSA-N 1 0 316.199 0.366 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000702991967 667021797 /nfs/dbraw/zinc/02/17/97/667021797.db2.gz GJMLORIJQSIAFR-LLVKDONJSA-N 1 0 315.464 0.517 10 0 DCAERO NS(=O)(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000735882938 667051742 /nfs/dbraw/zinc/05/17/42/667051742.db2.gz CPAINGJIBZGWCE-AWEZNQCLSA-N 1 0 303.472 0.863 10 0 DCAERO CC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000119170340 667093460 /nfs/dbraw/zinc/09/34/60/667093460.db2.gz HEGMOUGBWSIYFS-CABCVRRESA-N 1 0 323.437 0.773 10 0 DCAERO CN(C)C(=O)OCCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000705440420 667324687 /nfs/dbraw/zinc/32/46/87/667324687.db2.gz UGJVKNGFODAJPX-AWEZNQCLSA-N 1 0 322.409 0.260 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]([NH2+]CCO)C1 ZINC000708555389 667444279 /nfs/dbraw/zinc/44/42/79/667444279.db2.gz TYXMDOALLOYMAK-ZDUSSCGKSA-N 1 0 317.389 0.329 10 0 DCAERO OC[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H]1CO ZINC000709782267 667445657 /nfs/dbraw/zinc/44/56/57/667445657.db2.gz BHQCKRUJDMZMRI-GVDBMIGSSA-N 1 0 309.406 0.629 10 0 DCAERO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000710135332 667445841 /nfs/dbraw/zinc/44/58/41/667445841.db2.gz QUDFKBMRTJIABF-YPMLDQLKSA-N 1 0 311.473 0.941 10 0 DCAERO COC[C@]1(C(=O)N[C@@H](C)COCc2ccccc2)C[NH2+]CCO1 ZINC000710691404 667446003 /nfs/dbraw/zinc/44/60/03/667446003.db2.gz QCFJKEVXQVBJFS-YOEHRIQHSA-N 1 0 322.405 0.713 10 0 DCAERO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711640197 667511339 /nfs/dbraw/zinc/51/13/39/667511339.db2.gz NFVVDAMXUOGQRX-WZRBSPASSA-N 1 0 318.464 0.308 10 0 DCAERO CCn1nncc1C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886074720 667729030 /nfs/dbraw/zinc/72/90/30/667729030.db2.gz QRRVXXNWWHXYLT-GJZGRUSLSA-N 1 0 319.413 0.193 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000886082535 667729971 /nfs/dbraw/zinc/72/99/71/667729971.db2.gz MIOOWQURGPWORG-UPJWGTAASA-N 1 0 309.414 0.182 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2cnn(C)n2)C1 ZINC000886094011 667731431 /nfs/dbraw/zinc/73/14/31/667731431.db2.gz NQGGVPGWBBABLC-YUTCNCBUSA-N 1 0 307.398 0.529 10 0 DCAERO C[NH2+]CCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000123616620 667821262 /nfs/dbraw/zinc/82/12/62/667821262.db2.gz JFXHJAIQVUOERR-UHFFFAOYSA-N 1 0 319.814 0.540 10 0 DCAERO COC(=O)/C=C(\C)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000930425295 668168519 /nfs/dbraw/zinc/16/85/19/668168519.db2.gz JQJMZSXMFKXLQD-QSOAKEGCSA-N 1 0 310.394 0.555 10 0 DCAERO CCN(CC)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717064959 668195988 /nfs/dbraw/zinc/19/59/88/668195988.db2.gz JAAUBMCBJJSNMI-DTWKUNHWSA-N 1 0 303.350 0.785 10 0 DCAERO O=C1C[C@@H]([NH2+]C[C@H]2COCCO2)[C@H](c2cccnc2)N1C1CC1 ZINC000930429350 669015995 /nfs/dbraw/zinc/01/59/95/669015995.db2.gz MKAJYQMLXTURMR-UXLLHSPISA-N 1 0 317.389 0.891 10 0 DCAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000794311060 669820048 /nfs/dbraw/zinc/82/00/48/669820048.db2.gz AOCWOOVSKDVREK-XUJVJEKNSA-N 1 0 320.397 0.034 10 0 DCAERO COC(=O)CC[N@H+](CCC(=O)NC(C)C)C1CCOCC1 ZINC000076144819 670102345 /nfs/dbraw/zinc/10/23/45/670102345.db2.gz CLCJIXSVWFHNDK-UHFFFAOYSA-N 1 0 300.399 0.945 10 0 DCAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000191910556 670113265 /nfs/dbraw/zinc/11/32/65/670113265.db2.gz DTHVBFBYQXZADM-RYUDHWBXSA-N 1 0 310.398 0.909 10 0 DCAERO Cc1cc(CS(=O)(=O)N(CC[NH3+])CC(F)(F)F)no1 ZINC000713308180 670155384 /nfs/dbraw/zinc/15/53/84/670155384.db2.gz WHRBPYBOHIOCPJ-UHFFFAOYSA-N 1 0 301.290 0.636 10 0 DCAERO CN(C)c1ncc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)n1C ZINC000714356799 670184386 /nfs/dbraw/zinc/18/43/86/670184386.db2.gz LMFDPSMUURXPSB-LBPRGKRZSA-N 1 0 300.428 0.543 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NCc1ncc(Br)s1 ZINC000714942612 670197305 /nfs/dbraw/zinc/19/73/05/670197305.db2.gz GLNSTNHMCKYMEJ-LURJTMIESA-N 1 0 307.217 0.411 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000190100646 670204628 /nfs/dbraw/zinc/20/46/28/670204628.db2.gz HTXDQMMKNDSUOA-JSGCOSHPSA-N 1 0 319.409 0.927 10 0 DCAERO CS(=O)(=O)c1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc1 ZINC000716138806 670227604 /nfs/dbraw/zinc/22/76/04/670227604.db2.gz HDSDSBRZZGHIIA-UHFFFAOYSA-N 1 0 317.432 0.755 10 0 DCAERO NC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000818324786 671003921 /nfs/dbraw/zinc/00/39/21/671003921.db2.gz OOEGPTRQMFFJRF-OCCSQVGLSA-N 1 0 319.340 0.497 10 0 DCAERO Cc1ncc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000717015356 672111625 /nfs/dbraw/zinc/11/16/25/672111625.db2.gz BJVSHQVPLOPVPQ-QMMMGPOBSA-N 1 0 311.379 0.975 10 0 DCAERO O=S(=O)(NCc1n[nH]cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000719339566 685309417 /nfs/dbraw/zinc/30/94/17/685309417.db2.gz SDCINDVZSHJMQR-SSDOTTSWSA-N 1 0 323.216 0.344 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720861366 685316414 /nfs/dbraw/zinc/31/64/14/685316414.db2.gz QYAKRMJMBNDUGT-NEPJUHHUSA-N 1 0 304.412 0.438 10 0 DCAERO CCN(CC)S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720802443 685314422 /nfs/dbraw/zinc/31/44/22/685314422.db2.gz BZARJPJEJORDBS-DTWKUNHWSA-N 1 0 303.350 0.642 10 0 DCAERO [NH3+]C[C@@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1C(F)(F)F ZINC000720857845 685316108 /nfs/dbraw/zinc/31/61/08/685316108.db2.gz GDAPFSSRUMYVSZ-SFYZADRCSA-N 1 0 311.329 0.115 10 0 DCAERO COC[C@@H](C)OC[C@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720882031 685316624 /nfs/dbraw/zinc/31/66/24/685316624.db2.gz ZRMBLZMJHVEHPF-GWOFURMSSA-N 1 0 300.321 0.220 10 0 DCAERO CO[C@@]1(C[NH2+][C@H](C)c2cn(C)nc2C)CCS(=O)(=O)C1 ZINC000721229639 685318534 /nfs/dbraw/zinc/31/85/34/685318534.db2.gz NEUZWBHDQNXHBQ-ZWNOBZJWSA-N 1 0 301.412 0.583 10 0 DCAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000091359762 685104176 /nfs/dbraw/zinc/10/41/76/685104176.db2.gz XSNSVTYYACKFPF-CRWXNKLISA-N 1 0 314.451 0.943 10 0 DCAERO COC(=O)c1ncn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245447234 685157040 /nfs/dbraw/zinc/15/70/40/685157040.db2.gz LWICKNYDIIHPFR-OLZOCXBDSA-N 1 0 307.398 0.969 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000249584356 685182182 /nfs/dbraw/zinc/18/21/82/685182182.db2.gz SJIGRQQEYYSTGZ-IUODEOHRSA-N 1 0 309.366 0.627 10 0 DCAERO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000119060693 1176686443 /nfs/dbraw/zinc/68/64/43/1176686443.db2.gz GVFWPNGFULNAJG-GJZGRUSLSA-N 1 0 314.426 0.391 10 0 DCAERO COCC[N@H+](C)CCNC(=O)Cn1c2ccccc2oc1=O ZINC000171129013 1183712243 /nfs/dbraw/zinc/71/22/43/1183712243.db2.gz QWUWMGBMSHFFBM-UHFFFAOYSA-N 1 0 307.350 0.289 10 0 DCAERO Cn1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1=O ZINC000174171911 1183964522 /nfs/dbraw/zinc/96/45/22/1183964522.db2.gz USWHLPFSDJKUKS-ZDUSSCGKSA-N 1 0 305.378 0.180 10 0 DCAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000181663438 1185182450 /nfs/dbraw/zinc/18/24/50/1185182450.db2.gz YGLRXVZZXKCSMJ-NWDGAFQWSA-N 1 0 304.394 0.845 10 0 DCAERO O=S(=O)(CC[NH2+]Cc1cccc(F)c1)N1CCOCC1 ZINC000312382897 1190394076 /nfs/dbraw/zinc/39/40/76/1190394076.db2.gz NJPPIFPOIAVXGC-UHFFFAOYSA-N 1 0 302.371 0.577 10 0 DCAERO C[C@](O)(C[NH2+]CCN1CCOCC1)C(F)(F)C(F)(F)F ZINC000724040742 946726839 /nfs/dbraw/zinc/72/68/39/946726839.db2.gz JQBOBEZMMBDZCM-VIFPVBQESA-N 1 0 306.275 0.857 10 0 DCAERO C[NH+](C)CCN1CCC(NC(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC000193371742 282099779 /nfs/dbraw/zinc/09/97/79/282099779.db2.gz KCEADDJSEZTTKS-CQSZACIVSA-N 1 0 310.442 0.187 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)CC2 ZINC000247161961 282121969 /nfs/dbraw/zinc/12/19/69/282121969.db2.gz KJKZZWZVESJWGP-BNOWGMLFSA-N 1 0 318.425 0.779 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)CC2 ZINC000158016921 282123004 /nfs/dbraw/zinc/12/30/04/282123004.db2.gz AAGLSMLNHYPGNF-CRWXNKLISA-N 1 0 303.410 0.938 10 0 DCAERO CC[C@@](C)(CCO)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000153657691 529493842 /nfs/dbraw/zinc/49/38/42/529493842.db2.gz CTJKPSPVFLUDPF-HNNXBMFYSA-N 1 0 301.431 0.949 10 0 DCAERO O=S(=O)(c1ccc(F)c(F)c1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322085 185290992 /nfs/dbraw/zinc/29/09/92/185290992.db2.gz DTBQCPZBCSKPJY-OCAPTIKFSA-N 1 0 306.309 0.944 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+](CCO)C2CCCCC2)C1 ZINC000096980772 185394899 /nfs/dbraw/zinc/39/48/99/185394899.db2.gz HVVGITQABDPJFS-CYBMUJFWSA-N 1 0 311.426 0.337 10 0 DCAERO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000183838875 529840062 /nfs/dbraw/zinc/84/00/62/529840062.db2.gz GQJWZFWPDMAWRR-JTQLQIEISA-N 1 0 313.423 0.757 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCCC[C@H]1C ZINC000076669711 545677420 /nfs/dbraw/zinc/67/74/20/545677420.db2.gz SXLZEUVCOLTCOK-KGLIPLIRSA-N 1 0 319.471 0.806 10 0 DCAERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)C(=O)NC(N)=O ZINC000173349829 186179756 /nfs/dbraw/zinc/17/97/56/186179756.db2.gz JKRDTLSUECVAHH-NXEZZACHSA-N 1 0 302.338 0.501 10 0 DCAERO CC[C@H]1CN(C(=O)Nc2nccn(C)c2=O)CC[N@@H+]1CCOC ZINC000183884109 186227439 /nfs/dbraw/zinc/22/74/39/186227439.db2.gz VBYNCGGRXLINMN-LBPRGKRZSA-N 1 0 323.397 0.355 10 0 DCAERO CNC(=O)CCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000171903633 198004738 /nfs/dbraw/zinc/00/47/38/198004738.db2.gz XHYGWPCTRIAWFR-OAHLLOKOSA-N 1 0 320.437 0.937 10 0 DCAERO CNC(=O)CCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000171903632 198005154 /nfs/dbraw/zinc/00/51/54/198005154.db2.gz XHYGWPCTRIAWFR-HNNXBMFYSA-N 1 0 320.437 0.937 10 0 DCAERO CO[C@@H](C)C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000182045003 199378044 /nfs/dbraw/zinc/37/80/44/199378044.db2.gz OADCUQUXRXRQFF-LBPRGKRZSA-N 1 0 322.434 0.909 10 0 DCAERO CC[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC(C)(C)O ZINC000172275802 198070271 /nfs/dbraw/zinc/07/02/71/198070271.db2.gz VCLCDXQHBWSHTB-LBPRGKRZSA-N 1 0 320.389 0.736 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000172305503 198076325 /nfs/dbraw/zinc/07/63/25/198076325.db2.gz IKCXOHSPYOSABR-NSHDSACASA-N 1 0 304.350 0.259 10 0 DCAERO CN1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1=O ZINC000172527199 198110305 /nfs/dbraw/zinc/11/03/05/198110305.db2.gz FNKWTOUBTXJGLT-KGLIPLIRSA-N 1 0 304.394 0.819 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000173702699 198242475 /nfs/dbraw/zinc/24/24/75/198242475.db2.gz DOCINZLLLLYMGC-ZIAGYGMSSA-N 1 0 303.410 0.614 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000179462206 199040005 /nfs/dbraw/zinc/04/00/05/199040005.db2.gz NKLGNJOEQYGKQP-CABCVRRESA-N 1 0 312.435 0.908 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CNS(C)(=O)=O ZINC000456066102 283339228 /nfs/dbraw/zinc/33/92/28/283339228.db2.gz SEYHUSFFSRKDBA-RYUDHWBXSA-N 1 0 305.444 0.305 10 0 DCAERO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179890511 237251204 /nfs/dbraw/zinc/25/12/04/237251204.db2.gz XNQBQEZCHRJDMC-CQSZACIVSA-N 1 0 306.410 0.799 10 0 DCAERO 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/nfs/dbraw/zinc/73/26/67/395732667.db2.gz QQQSTKRLAJKVAC-NSHDSACASA-N 1 0 308.469 0.654 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037811613 395728743 /nfs/dbraw/zinc/72/87/43/395728743.db2.gz GCSNYOVSMWWBQN-HTAVTVPLSA-N 1 0 303.428 0.044 10 0 DCAERO Cc1nccn1-c1cncc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000092922241 395734361 /nfs/dbraw/zinc/73/43/61/395734361.db2.gz BRSITHQIBFUYPX-QWHCGFSZSA-N 1 0 300.366 0.490 10 0 DCAERO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(=O)N(C)C ZINC000194006363 395785325 /nfs/dbraw/zinc/78/53/25/395785325.db2.gz DRGFJURNZNVESG-DZGCQCFKSA-N 1 0 320.437 0.935 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000101587042 395765473 /nfs/dbraw/zinc/76/54/73/395765473.db2.gz BVYRTUHKNKDQNL-CYBMUJFWSA-N 1 0 319.409 0.970 10 0 DCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193583897 395772762 /nfs/dbraw/zinc/77/27/62/395772762.db2.gz DIIGNRXRGGOXQJ-JFGNBEQYSA-N 1 0 321.343 0.902 10 0 DCAERO 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/nfs/dbraw/zinc/85/87/43/395858743.db2.gz YCFYENJFOCYDMM-VIFPVBQESA-N 1 0 318.420 0.267 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1cccn1 ZINC000111813567 395814298 /nfs/dbraw/zinc/81/42/98/395814298.db2.gz RSKPTZAJSBTPNX-CQSZACIVSA-N 1 0 309.414 0.683 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCCC[S@](C)=O)ccn2)CC1 ZINC000112297200 395815568 /nfs/dbraw/zinc/81/55/68/395815568.db2.gz XAEGZATXVRXLBD-JOCHJYFZSA-N 1 0 324.450 0.332 10 0 DCAERO O=C(CCNC(=O)OCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336686 395825439 /nfs/dbraw/zinc/82/54/39/395825439.db2.gz PFKHMOSYUCELIU-JTQLQIEISA-N 1 0 323.315 0.972 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc[nH]n2)CC1=O ZINC000112872847 395825698 /nfs/dbraw/zinc/82/56/98/395825698.db2.gz MWOOPQUFKRYDOT-MNOVXSKESA-N 1 0 306.370 0.076 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1nc2ccccn2c1=O ZINC000113227279 395828735 /nfs/dbraw/zinc/82/87/35/395828735.db2.gz HYDUNRPTXGGZFS-CHWSQXEVSA-N 1 0 315.377 0.191 10 0 DCAERO 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NQKLZFVJSHOGMD-KGLIPLIRSA-N 1 0 311.426 0.614 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000247259575 395970939 /nfs/dbraw/zinc/97/09/39/395970939.db2.gz AZVKCWWFIUSPQI-GJZGRUSLSA-N 1 0 312.458 0.689 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248626119 395991073 /nfs/dbraw/zinc/99/10/73/395991073.db2.gz UYGSWLLXCQNMOU-FRRDWIJNSA-N 1 0 300.399 0.847 10 0 DCAERO C[NH+](C)CCNC(=O)Cn1cc(-c2ccc(F)cc2)oc1=O ZINC000065255641 395991581 /nfs/dbraw/zinc/99/15/81/395991581.db2.gz PMCAPFYXRUZCGS-UHFFFAOYSA-N 1 0 307.325 0.925 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@H]1C ZINC000252671497 396024158 /nfs/dbraw/zinc/02/41/58/396024158.db2.gz VYCWVLWTOQMMBI-GVRJEKJASA-N 1 0 309.454 0.821 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000252657981 396024387 /nfs/dbraw/zinc/02/43/87/396024387.db2.gz OMYMEYZVORQTKK-KGLIPLIRSA-N 1 0 304.456 0.895 10 0 DCAERO CC[C@H]1C[N@H+](CCC(=O)NC(=O)NC)CCN1CC(F)F ZINC000153344690 396024384 /nfs/dbraw/zinc/02/43/84/396024384.db2.gz AIQFGSWMWYIWSD-JTQLQIEISA-N 1 0 306.357 0.493 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000252853708 396024728 /nfs/dbraw/zinc/02/47/28/396024728.db2.gz JHIVUCOFKHEBLS-NDKCEZKHSA-N 1 0 317.455 0.400 10 0 DCAERO Nc1c(C(=O)N(CC[NH3+])CCc2ccccc2)[nH]c(=O)[nH]c1=O ZINC000261667885 396054073 /nfs/dbraw/zinc/05/40/73/396054073.db2.gz GBSLATPHKJNWNQ-UHFFFAOYSA-N 1 0 317.349 0.114 10 0 DCAERO Cn1cc(/C=C/c2nc(C3([NH3+])CCCC3)no2)c(=O)n(C)c1=O ZINC000261852570 396072839 /nfs/dbraw/zinc/07/28/39/396072839.db2.gz SYSYEDLVDANVLV-AATRIKPKSA-N 1 0 317.349 0.365 10 0 DCAERO Cn1cc([C@@]2(C)CN(C(=O)[C@H]([NH3+])C3CCOCC3)CCO2)cn1 ZINC000261774357 396064147 /nfs/dbraw/zinc/06/41/47/396064147.db2.gz MOXFWWVNDSFBGU-GDBMZVCRSA-N 1 0 322.409 0.248 10 0 DCAERO CS(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cn1 ZINC000261774292 396064215 /nfs/dbraw/zinc/06/42/15/396064215.db2.gz MMXUKYADCWEUHA-GFCCVEGCSA-N 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/nfs/dbraw/zinc/09/23/21/396092321.db2.gz OOQUCGDDZCUPIE-HNNXBMFYSA-N 1 0 301.398 0.246 10 0 DCAERO COc1cccc(C(=O)NCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170883191 396100688 /nfs/dbraw/zinc/10/06/88/396100688.db2.gz GSWPFVJQEAGYBS-ZDUSSCGKSA-N 1 0 305.378 0.588 10 0 DCAERO CC[NH+]1CCN(CCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000070460525 396102109 /nfs/dbraw/zinc/10/21/09/396102109.db2.gz CWMUJGQWBUSOIC-UHFFFAOYSA-N 1 0 308.407 0.389 10 0 DCAERO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262156922 396104947 /nfs/dbraw/zinc/10/49/47/396104947.db2.gz XSWDWMNEXLQMNY-RDBSUJKOSA-N 1 0 311.426 0.504 10 0 DCAERO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000171088537 396106062 /nfs/dbraw/zinc/10/60/62/396106062.db2.gz DEOLVLQNERYTKV-RYUDHWBXSA-N 1 0 322.409 0.450 10 0 DCAERO [NH3+]CC1(C(=O)N2CCCN(c3nccs3)CC2)CCOCC1 ZINC000262293234 396119039 /nfs/dbraw/zinc/11/90/39/396119039.db2.gz OWENBDHKCYCXEG-UHFFFAOYSA-N 1 0 324.450 0.937 10 0 DCAERO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000171883678 396127749 /nfs/dbraw/zinc/12/77/49/396127749.db2.gz SYLUAKRZUFEOAW-KBPBESRZSA-N 1 0 311.426 0.208 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000262372008 396131866 /nfs/dbraw/zinc/13/18/66/396131866.db2.gz WVFLWBNHCYFTAE-IUODEOHRSA-N 1 0 307.394 0.754 10 0 DCAERO CC1CCC(N2C[C@H](C(=O)NC[C@H]3C[NH2+]C[C@H]3O)CC2=O)CC1 ZINC000262380901 396132917 /nfs/dbraw/zinc/13/29/17/396132917.db2.gz XAVLJFVBADPERS-BJTVUOPESA-N 1 0 323.437 0.110 10 0 DCAERO c1ccc(OCCN2CCOCC2)c(CNC2=[NH+]CCCN2)c1 ZINC000261885150 396075922 /nfs/dbraw/zinc/07/59/22/396075922.db2.gz RQRUOUIULOAKEC-UHFFFAOYSA-N 1 0 318.421 0.837 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000175375799 396140501 /nfs/dbraw/zinc/14/05/01/396140501.db2.gz USNIFFOQZICVOA-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO Nc1c(NC[C@@H](O)C[NH+]2CCCCC2)ncnc1-n1cccn1 ZINC000162418933 396081362 /nfs/dbraw/zinc/08/13/62/396081362.db2.gz PAMUWWJZCGALFO-GFCCVEGCSA-N 1 0 317.397 0.503 10 0 DCAERO C[C@]1(CN2CCCN(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939849 396081572 /nfs/dbraw/zinc/08/15/72/396081572.db2.gz DNIYVHNLDNDZGS-KRWDZBQOSA-N 1 0 308.470 0.616 10 0 DCAERO CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@@H]1[NH3+] ZINC000261953163 396083443 /nfs/dbraw/zinc/08/34/43/396083443.db2.gz KHHGUZICIQDQKJ-JQWIXIFHSA-N 1 0 305.382 0.348 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@H]1CCOC1 ZINC000261968584 396085165 /nfs/dbraw/zinc/08/51/65/396085165.db2.gz HZGOWKYOMHFQSL-HNNXBMFYSA-N 1 0 312.435 0.856 10 0 DCAERO C[C@@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)NC(=O)C1CCCC1 ZINC000263225113 396206652 /nfs/dbraw/zinc/20/66/52/396206652.db2.gz MQHPLRDBUHZKGT-AAEUAGOBSA-N 1 0 321.425 0.883 10 0 DCAERO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1C[NH2+]C1 ZINC000263248961 396209466 /nfs/dbraw/zinc/20/94/66/396209466.db2.gz DNNSKXOUNWEDOV-AWEZNQCLSA-N 1 0 302.422 0.533 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000175995160 396147796 /nfs/dbraw/zinc/14/77/96/396147796.db2.gz GHPWNELMTQNUCP-LBPRGKRZSA-N 1 0 305.444 0.116 10 0 DCAERO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](O)CO)CC1 ZINC000178827758 396209650 /nfs/dbraw/zinc/20/96/50/396209650.db2.gz DOTMAHPQPADMAL-CYBMUJFWSA-N 1 0 322.409 0.303 10 0 DCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(NC(N)=O)CC1 ZINC000176055835 396148995 /nfs/dbraw/zinc/14/89/95/396148995.db2.gz WFYJTCRSMNDUBA-OAHLLOKOSA-N 1 0 318.421 0.819 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176222577 396151443 /nfs/dbraw/zinc/15/14/43/396151443.db2.gz QYKLMFQQAAJJFT-CABCVRRESA-N 1 0 316.405 0.395 10 0 DCAERO CC(C)(C[NH3+])NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000262539150 396152210 /nfs/dbraw/zinc/15/22/10/396152210.db2.gz DUMKNDMUGPIPAT-UHFFFAOYSA-N 1 0 304.438 0.658 10 0 DCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000262650148 396168356 /nfs/dbraw/zinc/16/83/56/396168356.db2.gz WMEHGLJODLRPJJ-NOZJJQNGSA-N 1 0 306.366 0.214 10 0 DCAERO CC[C@H](CNC(=O)[C@@H]1COCCN1)[N@@H+]1CCc2ccccc2C1 ZINC000262676386 396171534 /nfs/dbraw/zinc/17/15/34/396171534.db2.gz SAVBPUJLLZCNCZ-SJORKVTESA-N 1 0 317.433 0.928 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262712898 396175145 /nfs/dbraw/zinc/17/51/45/396175145.db2.gz FYFOJJSPZQQMJT-AGIUHOORSA-N 1 0 319.409 0.534 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1C(=O)CCC1=O ZINC000177511878 396178041 /nfs/dbraw/zinc/17/80/41/396178041.db2.gz BWPZCXNTVXHFFU-GFCCVEGCSA-N 1 0 310.398 0.261 10 0 DCAERO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)CC1CC1 ZINC000262778790 396181331 /nfs/dbraw/zinc/18/13/31/396181331.db2.gz KSAXSYYUQJXMMY-GFCCVEGCSA-N 1 0 303.428 0.046 10 0 DCAERO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177780552 396183000 /nfs/dbraw/zinc/18/30/00/396183000.db2.gz HEBILKFUGVTKMV-NWDGAFQWSA-N 1 0 305.430 0.751 10 0 DCAERO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)CO ZINC000177801453 396183751 /nfs/dbraw/zinc/18/37/51/396183751.db2.gz WPVGAQPJKXCSEW-VXGBXAGGSA-N 1 0 307.394 0.820 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178324572 396194279 /nfs/dbraw/zinc/19/42/79/396194279.db2.gz AJMXOVVBTREFHD-ZDUSSCGKSA-N 1 0 308.382 0.335 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000262984855 396196424 /nfs/dbraw/zinc/19/64/24/396196424.db2.gz NBTJCTAEJTXCSQ-UHFFFAOYSA-N 1 0 324.469 0.389 10 0 DCAERO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-n2ccnn2)cc1 ZINC000182006778 396244985 /nfs/dbraw/zinc/24/49/85/396244985.db2.gz CHVIRVGAGLKEAZ-LLVKDONJSA-N 1 0 314.349 0.470 10 0 DCAERO CCn1cc(CN2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182113183 396246528 /nfs/dbraw/zinc/24/65/28/396246528.db2.gz RHYKUWZNEUVYRJ-UHFFFAOYSA-N 1 0 305.426 0.689 10 0 DCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCn2ccnn2)C1 ZINC000182904075 396256628 /nfs/dbraw/zinc/25/66/28/396256628.db2.gz MKRZHBVZGAPEQK-CQSZACIVSA-N 1 0 308.430 0.945 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[C@@H](C)O)CC1 ZINC000183513758 396270811 /nfs/dbraw/zinc/27/08/11/396270811.db2.gz YBIJUVWSGQABQU-CHWSQXEVSA-N 1 0 314.426 0.927 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)NCCCn2ccnn2)n1 ZINC000183764889 396274440 /nfs/dbraw/zinc/27/44/40/396274440.db2.gz SQJVZYJCQPILIB-UHFFFAOYSA-N 1 0 306.374 0.248 10 0 DCAERO Cn1nnc2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc21 ZINC000184794857 396306844 /nfs/dbraw/zinc/30/68/44/396306844.db2.gz YLYFLFYNPZIWHW-UHFFFAOYSA-N 1 0 316.409 0.288 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1C ZINC000184820351 396308092 /nfs/dbraw/zinc/30/80/92/396308092.db2.gz NMAFLMRSEMKTJB-QWHCGFSZSA-N 1 0 309.414 0.431 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1 ZINC000185953928 396337779 /nfs/dbraw/zinc/33/77/79/396337779.db2.gz OSYKLZNMGSHDKR-CYBMUJFWSA-N 1 0 313.423 0.658 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(N)cc1 ZINC000185953948 396337924 /nfs/dbraw/zinc/33/79/24/396337924.db2.gz 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C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(C)(C)C[NH+](C)C ZINC000187495545 396370528 /nfs/dbraw/zinc/37/05/28/396370528.db2.gz DWWLYTIMUAKDNB-LLVKDONJSA-N 1 0 310.442 0.883 10 0 DCAERO C[C@H]1C[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000187490206 396370665 /nfs/dbraw/zinc/37/06/65/396370665.db2.gz JBCABFKTCILHLS-JQWIXIFHSA-N 1 0 306.410 0.532 10 0 DCAERO CCOC(=O)N[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CC(C)C ZINC000188388670 396381867 /nfs/dbraw/zinc/38/18/67/396381867.db2.gz YOPMUTYBOAGTSM-SDDRHHMPSA-N 1 0 303.378 0.963 10 0 DCAERO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188739414 396385038 /nfs/dbraw/zinc/38/50/38/396385038.db2.gz FRVMTJLHKQQTIL-UONOGXRCSA-N 1 0 300.422 0.076 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C[N@@H+]1C1CC1 ZINC000188890696 396388241 /nfs/dbraw/zinc/38/82/41/396388241.db2.gz QPHLMAAEIIBMAF-YPMHNXCESA-N 1 0 320.437 0.922 10 0 DCAERO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188973534 396389304 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306.410 0.641 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCN(C(C)C)C(=O)C2)CC1 ZINC000579051116 397518889 /nfs/dbraw/zinc/51/88/89/397518889.db2.gz SHSMBCYSRKHVGL-UHFFFAOYSA-N 1 0 308.426 0.901 10 0 DCAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000603509465 397614646 /nfs/dbraw/zinc/61/46/46/397614646.db2.gz FYYWNNSXHUIIAC-HUUCEWRRSA-N 1 0 324.425 0.084 10 0 DCAERO CCc1n[nH]cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604351362 397638053 /nfs/dbraw/zinc/63/80/53/397638053.db2.gz NZFYDLGGWJLSRW-CYBMUJFWSA-N 1 0 305.426 0.824 10 0 DCAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)C12CCOCC2 ZINC000333826244 286352223 /nfs/dbraw/zinc/35/22/23/286352223.db2.gz RXEOVFNOYHXYLS-HZSPNIEDSA-N 1 0 311.426 0.964 10 0 DCAERO CCN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010008 158053981 /nfs/dbraw/zinc/05/39/81/158053981.db2.gz VWYWSFIOCFMXDK-DLBZAZTESA-N 1 0 319.449 0.996 10 0 DCAERO C[C@@H](O)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085796261 158090490 /nfs/dbraw/zinc/09/04/90/158090490.db2.gz KASNPVDPUKWUOQ-CHWSQXEVSA-N 1 0 304.456 0.751 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCOCC3)n2)C[C@@H]1C ZINC000105824728 158130297 /nfs/dbraw/zinc/13/02/97/158130297.db2.gz UTJKRASRZYNAKS-QWHCGFSZSA-N 1 0 324.425 0.851 10 0 DCAERO CC(C)CNC(=O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751012 158138580 /nfs/dbraw/zinc/13/85/80/158138580.db2.gz SBSWOXKTNXQTII-INIZCTEOSA-N 1 0 310.486 0.861 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@H](C)O)CC2)C1 ZINC000111286040 158140424 /nfs/dbraw/zinc/14/04/24/158140424.db2.gz KMRRUDRPJQWXSX-DOMZBBRYSA-N 1 0 311.426 0.206 10 0 DCAERO CCN(C[C@@H](O)CN1CCCC1=O)[C@@H](C)CS(=O)(=O)CC ZINC000113510949 158147751 /nfs/dbraw/zinc/14/77/51/158147751.db2.gz HZGMIJDUVKKTFG-QWHCGFSZSA-N 1 0 320.455 0.115 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113633612 158149395 /nfs/dbraw/zinc/14/93/95/158149395.db2.gz YOKGSHDLRDIJPX-AVGNSLFASA-N 1 0 317.455 0.688 10 0 DCAERO CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887550 158167004 /nfs/dbraw/zinc/16/70/04/158167004.db2.gz MSBXGJHZBWERKV-STQMWFEESA-N 1 0 319.471 0.503 10 0 DCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000116889574 158167363 /nfs/dbraw/zinc/16/73/63/158167363.db2.gz IARZSTLPNYRTNG-GFCCVEGCSA-N 1 0 303.428 0.059 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000119123213 158182497 /nfs/dbraw/zinc/18/24/97/158182497.db2.gz VHCYAQXWIHZPHK-UHFFFAOYSA-N 1 0 322.413 0.329 10 0 DCAERO CCC(O)(CC)CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000124766000 158246149 /nfs/dbraw/zinc/24/61/49/158246149.db2.gz RLNYYKLIVJPXOH-UHFFFAOYSA-N 1 0 301.431 0.949 10 0 DCAERO C[C@@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1-n1cccn1 ZINC000124860636 158248083 /nfs/dbraw/zinc/24/80/83/158248083.db2.gz MLVWFADKEJUPAG-LLVKDONJSA-N 1 0 301.350 0.124 10 0 DCAERO COC(=O)Cn1cc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000125283794 158254220 /nfs/dbraw/zinc/25/42/20/158254220.db2.gz WCBAGZBGZFUQMI-CQSZACIVSA-N 1 0 307.398 0.164 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130321129 158294661 /nfs/dbraw/zinc/29/46/61/158294661.db2.gz BZXRGJGKDGHRPM-CYBMUJFWSA-N 1 0 310.442 0.886 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000131678986 158304498 /nfs/dbraw/zinc/30/44/98/158304498.db2.gz DMQDYOMFEZHBPN-YPMHNXCESA-N 1 0 322.413 0.479 10 0 DCAERO Cc1ccn(-c2ccccc2NC(=O)C(=O)NCC[NH+](C)C)n1 ZINC000131807721 158305999 /nfs/dbraw/zinc/30/59/99/158305999.db2.gz OPIYMGVQFMFPOV-UHFFFAOYSA-N 1 0 315.377 0.797 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNc2cncc(OCCO)n2)C[C@H](C)O1 ZINC000133068548 158316209 /nfs/dbraw/zinc/31/62/09/158316209.db2.gz RQDUCOYAXAITQN-BETUJISGSA-N 1 0 310.398 0.759 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C(C)=O)CC1 ZINC000136078935 158341178 /nfs/dbraw/zinc/34/11/78/158341178.db2.gz CQJCSHMTTOQNHF-HZPDHXFCSA-N 1 0 322.453 0.236 10 0 DCAERO CCCCn1nccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000152474430 158349763 /nfs/dbraw/zinc/34/97/63/158349763.db2.gz DETDUZXKODZHDO-LBPRGKRZSA-N 1 0 307.398 0.784 10 0 DCAERO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000166514250 158366291 /nfs/dbraw/zinc/36/62/91/158366291.db2.gz WMFKAKYCCGYLHL-AWEZNQCLSA-N 1 0 320.393 0.504 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000168130249 158370462 /nfs/dbraw/zinc/37/04/62/158370462.db2.gz MAEOIHXVQOCKIE-AVGNSLFASA-N 1 0 321.425 0.965 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000170758853 158376053 /nfs/dbraw/zinc/37/60/53/158376053.db2.gz DYZMAINSBNQTSV-HUUCEWRRSA-N 1 0 323.437 0.470 10 0 DCAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000170868244 158377507 /nfs/dbraw/zinc/37/75/07/158377507.db2.gz JUDMXMVRFDDQSU-RYUDHWBXSA-N 1 0 322.409 0.402 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)C1 ZINC000170903650 158378187 /nfs/dbraw/zinc/37/81/87/158378187.db2.gz KQFTYUPCGZFMDF-GFCCVEGCSA-N 1 0 317.393 0.474 10 0 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ZINC000237213729 158637395 /nfs/dbraw/zinc/63/73/95/158637395.db2.gz VDWZEUVVRBLWEB-IHRRRGAJSA-N 1 0 311.426 0.518 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248564882 158693223 /nfs/dbraw/zinc/69/32/23/158693223.db2.gz BMZCVEQWKZWJBV-AEGPPILISA-N 1 0 317.389 0.621 10 0 DCAERO COc1ccccc1NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261616148 158721992 /nfs/dbraw/zinc/72/19/92/158721992.db2.gz BRWIWKWBKVJBTE-AWEZNQCLSA-N 1 0 318.421 0.613 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)CCn1cc(Br)ccc1=O ZINC000261811445 158740641 /nfs/dbraw/zinc/74/06/41/158740641.db2.gz SSEPZTKOGVPBCD-SECBINFHSA-N 1 0 316.199 0.725 10 0 DCAERO C[C@@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000261845517 158745638 /nfs/dbraw/zinc/74/56/38/158745638.db2.gz PWHRZVWXCWPSFL-DGCLKSJQSA-N 1 0 305.378 0.750 10 0 DCAERO CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261895754 158751135 /nfs/dbraw/zinc/75/11/35/158751135.db2.gz HCKPLHFFHKCLIG-BNOWGMLFSA-N 1 0 321.425 0.144 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1 ZINC000261900631 158752494 /nfs/dbraw/zinc/75/24/94/158752494.db2.gz AEZPFVLMYCZXHT-WBTNSWJXSA-N 1 0 320.437 0.781 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H](c1ccccc1)n1cccn1 ZINC000262144258 158778613 /nfs/dbraw/zinc/77/86/13/158778613.db2.gz HISUWZJFVNKSEN-ZNMIVQPWSA-N 1 0 300.362 0.169 10 0 DCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000262148499 158779189 /nfs/dbraw/zinc/77/91/89/158779189.db2.gz HPKZBWRGZMCSBQ-WDEREUQCSA-N 1 0 310.350 0.023 10 0 DCAERO COCc1noc(CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262148134 158779481 /nfs/dbraw/zinc/77/94/81/158779481.db2.gz ZPNQVDGRRPUTBG-OAHLLOKOSA-N 1 0 309.414 0.333 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)ccc1Br ZINC000262217276 158786422 /nfs/dbraw/zinc/78/64/22/158786422.db2.gz JFBNDNXHICNEMG-CPCISQLKSA-N 1 0 317.158 0.898 10 0 DCAERO CCc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262233344 158788226 /nfs/dbraw/zinc/78/82/26/158788226.db2.gz KKNFAKSYAJRYSU-HOCLYGCPSA-N 1 0 304.390 0.908 10 0 DCAERO COc1cccc(CO[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262346642 158801497 /nfs/dbraw/zinc/80/14/97/158801497.db2.gz UDWOCGDLNFEPKI-ZLDLUXBVSA-N 1 0 308.378 0.297 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000262363472 158803817 /nfs/dbraw/zinc/80/38/17/158803817.db2.gz VISFEADKFPCADT-QMIVOQANSA-N 1 0 318.421 0.653 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CC[NH2+]1 ZINC000262474862 158816779 /nfs/dbraw/zinc/81/67/79/158816779.db2.gz XEVJKBRCPYCBNB-WUHRBBMRSA-N 1 0 317.455 0.209 10 0 DCAERO CN(CCNC1=[NH+]CCCN1)S(=O)(=O)c1ccc(F)cc1 ZINC000262788120 158840157 /nfs/dbraw/zinc/84/01/57/158840157.db2.gz KBPQPDXGODYONO-UHFFFAOYSA-N 1 0 314.386 0.385 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccnc(-n3cccn3)c2)n1 ZINC000263140653 158858928 /nfs/dbraw/zinc/85/89/28/158858928.db2.gz CGUGTIORIZUXCL-GFCCVEGCSA-N 1 0 311.349 0.893 10 0 DCAERO O=C1[C@@H]([NH+]2CCC(c3ccnn3CCO)CC2)CCN1C1CC1 ZINC000328601281 159014763 /nfs/dbraw/zinc/01/47/63/159014763.db2.gz FFIQERHQIFMPCE-INIZCTEOSA-N 1 0 318.421 0.818 10 0 DCAERO Cc1c[nH]nc1CN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000328811372 159031239 /nfs/dbraw/zinc/03/12/39/159031239.db2.gz AXUYLHSOYPMSOY-CQSZACIVSA-N 1 0 321.425 0.083 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4nnc(C(F)F)n4n3)C[C@H]21 ZINC000328961827 159046889 /nfs/dbraw/zinc/04/68/89/159046889.db2.gz QGMZTVOXIBXZNL-NXEZZACHSA-N 1 0 324.335 0.971 10 0 DCAERO Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329105732 159061810 /nfs/dbraw/zinc/06/18/10/159061810.db2.gz HFCUKQHJPMPMCB-UONOGXRCSA-N 1 0 319.409 0.589 10 0 DCAERO Cc1cccn2c(=O)c(C(=O)N3CC[NH+]4CCC3CC4)cnc12 ZINC000329335902 159082796 /nfs/dbraw/zinc/08/27/96/159082796.db2.gz LLKOQHHPQUIHII-UHFFFAOYSA-N 1 0 312.373 0.923 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329472224 159095774 /nfs/dbraw/zinc/09/57/74/159095774.db2.gz AEXXKMTZUWQSQO-IMJJTQAJSA-N 1 0 323.437 0.424 10 0 DCAERO CN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329516173 159098548 /nfs/dbraw/zinc/09/85/48/159098548.db2.gz YTKMGGBWWGTKEC-CQSZACIVSA-N 1 0 309.410 0.178 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nn1 ZINC000329614822 159107257 /nfs/dbraw/zinc/10/72/57/159107257.db2.gz DAYZBLCQSGFBBJ-IACUBPJLSA-N 1 0 323.397 0.031 10 0 DCAERO Cn1ccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1=O ZINC000329742519 159116182 /nfs/dbraw/zinc/11/61/82/159116182.db2.gz WPCDYYZQHOOXGM-VXGBXAGGSA-N 1 0 302.334 0.971 10 0 DCAERO CCN1CCN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329766995 159118299 /nfs/dbraw/zinc/11/82/99/159118299.db2.gz YWDBPDNYOWXMSF-IACUBPJLSA-N 1 0 323.397 0.031 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)C1 ZINC000329905876 159127492 /nfs/dbraw/zinc/12/74/92/159127492.db2.gz RSUGKRZUDWYAFV-WFASDCNBSA-N 1 0 311.382 0.252 10 0 DCAERO CO[C@H]1CN(Cc2nn3c(nc(C)cc3=O)s2)C[C@@H]1OC ZINC000330189804 159149116 /nfs/dbraw/zinc/14/91/16/159149116.db2.gz VOCXAMKLVRGFBT-UWVGGRQHSA-N 1 0 310.379 0.305 10 0 DCAERO C[C@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CCCNC1=O ZINC000330256046 159154112 /nfs/dbraw/zinc/15/41/12/159154112.db2.gz PXACMBOJQWHVIM-CJNGLKHVSA-N 1 0 309.410 0.924 10 0 DCAERO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330249576 159154677 /nfs/dbraw/zinc/15/46/77/159154677.db2.gz MRSVYRNGIDFHBY-FDYHWXHSSA-N 1 0 318.439 0.178 10 0 DCAERO COCCN1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@H]1C ZINC000332751888 159212550 /nfs/dbraw/zinc/21/25/50/159212550.db2.gz CDJOFWOHMYCKKR-YUELXQCFSA-N 1 0 311.426 0.916 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000333021077 159218802 /nfs/dbraw/zinc/21/88/02/159218802.db2.gz AQOORGMCADEKHB-DZGCQCFKSA-N 1 0 324.469 0.528 10 0 DCAERO O=S(=O)(c1cccc(Cl)c1F)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366990459 159302443 /nfs/dbraw/zinc/30/24/43/159302443.db2.gz TVAJBYZTPHUYEJ-ZJUUUORDSA-N 1 0 320.773 0.840 10 0 DCAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367202275 159320927 /nfs/dbraw/zinc/32/09/27/159320927.db2.gz TXQFYFQPPTYUSN-MLGOLLRUSA-N 1 0 319.453 0.474 10 0 DCAERO O=C(N[C@H](CO)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367868497 159361922 /nfs/dbraw/zinc/36/19/22/159361922.db2.gz FRSFPVNFLVTLJA-CABCVRRESA-N 1 0 323.824 0.880 10 0 DCAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000368282772 159384737 /nfs/dbraw/zinc/38/47/37/159384737.db2.gz GUDLBEUXGZFJRM-INIZCTEOSA-N 1 0 322.453 0.587 10 0 DCAERO C[C@H]1CCOCCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000378461847 159983597 /nfs/dbraw/zinc/98/35/97/159983597.db2.gz LAZXOSHTAGQBHB-AWEZNQCLSA-N 1 0 312.458 0.833 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000408002830 160007909 /nfs/dbraw/zinc/00/79/09/160007909.db2.gz OWRPBUPCPRGQSB-CHWSQXEVSA-N 1 0 311.430 0.561 10 0 DCAERO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408038833 160019933 /nfs/dbraw/zinc/01/99/33/160019933.db2.gz PQSXQLPVXNQNOT-INIZCTEOSA-N 1 0 306.410 0.976 10 0 DCAERO CN(C)c1cnc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000408066417 160027643 /nfs/dbraw/zinc/02/76/43/160027643.db2.gz YBTZEHCWISAOCX-QWHCGFSZSA-N 1 0 305.382 0.088 10 0 DCAERO Cc1noc2ncc(S(=O)(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc12 ZINC000408128617 160043661 /nfs/dbraw/zinc/04/36/61/160043661.db2.gz QUVYDULFTHULCE-LLVKDONJSA-N 1 0 322.390 1.000 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000408136216 160044981 /nfs/dbraw/zinc/04/49/81/160044981.db2.gz BZHKPCRFDIWIEV-ZIAGYGMSSA-N 1 0 319.471 0.255 10 0 DCAERO Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408150162 160048508 /nfs/dbraw/zinc/04/85/08/160048508.db2.gz OQQQNDODUDKYDA-JSGCOSHPSA-N 1 0 305.378 0.870 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000408184806 160054942 /nfs/dbraw/zinc/05/49/42/160054942.db2.gz DYDHOHLHJIPACH-RYUDHWBXSA-N 1 0 305.444 0.067 10 0 DCAERO CN(C)S(=O)(=O)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000408186168 160055247 /nfs/dbraw/zinc/05/52/47/160055247.db2.gz QNPPKHYIPWZHMI-UHFFFAOYSA-N 1 0 317.455 0.212 10 0 DCAERO CC[C@@H]1C[C@H](C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408205088 160059799 /nfs/dbraw/zinc/05/97/99/160059799.db2.gz XAVZSGQIMBDYRM-QNWHQSFQSA-N 1 0 313.467 0.795 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000408208341 160060983 /nfs/dbraw/zinc/06/09/83/160060983.db2.gz MBGBJDRMBKSXHR-ZIAGYGMSSA-N 1 0 312.458 0.425 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000408284642 160075966 /nfs/dbraw/zinc/07/59/66/160075966.db2.gz BQBGQNVEXGMQPE-GFCCVEGCSA-N 1 0 305.444 0.104 10 0 DCAERO CC(C)(C(=O)NC1CC([NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000408325329 160085425 /nfs/dbraw/zinc/08/54/25/160085425.db2.gz ZBSNSWVQJXWFIA-UHFFFAOYSA-N 1 0 302.440 0.943 10 0 DCAERO 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313.316 0.542 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000247200546 287091850 /nfs/dbraw/zinc/09/18/50/287091850.db2.gz YOSYXIMGRALMCL-MBNYWOFBSA-N 1 0 311.426 0.205 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COC(C)(C)C ZINC000249414613 287110238 /nfs/dbraw/zinc/11/02/38/287110238.db2.gz VXYMXNLXQOJPEJ-UONOGXRCSA-N 1 0 302.459 0.939 10 0 DCAERO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](C)CS(C)(=O)=O)C1(C)C ZINC000249310985 287108644 /nfs/dbraw/zinc/10/86/44/287108644.db2.gz DRHXEBSFCLXHTE-SCRDCRAPSA-N 1 0 307.456 0.823 10 0 DCAERO CCOC(=O)[C@@H](CC)N(C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000249497915 287111997 /nfs/dbraw/zinc/11/19/97/287111997.db2.gz WMMVFQZZOYOLBT-UONOGXRCSA-N 1 0 312.410 0.776 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255417122 287124830 /nfs/dbraw/zinc/12/48/30/287124830.db2.gz PLYCIYFTQLWAJG-UIJKISKDSA-N 1 0 311.407 0.925 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000248684956 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/nfs/dbraw/zinc/91/45/90/415914590.db2.gz OADGISUIYVAJNS-UHFFFAOYSA-N 1 0 318.377 0.921 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000125246626 415862725 /nfs/dbraw/zinc/86/27/25/415862725.db2.gz RWPRARHZMSSNCM-UHFFFAOYSA-N 1 0 317.455 0.547 10 0 DCAERO C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000158433631 416000584 /nfs/dbraw/zinc/00/05/84/416000584.db2.gz YOGUJWBPNUJABM-WOPDTQHZSA-N 1 0 302.440 0.928 10 0 DCAERO CNC(=O)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000133600568 415949440 /nfs/dbraw/zinc/94/94/40/415949440.db2.gz OOYPXEWXGGFGNX-UHFFFAOYSA-N 1 0 304.394 0.828 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000131331977 415931049 /nfs/dbraw/zinc/93/10/49/415931049.db2.gz OVMSLUZAXHYXJU-HNNXBMFYSA-N 1 0 313.442 0.598 10 0 DCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000171926157 416041605 /nfs/dbraw/zinc/04/16/05/416041605.db2.gz MPBRZPPXZZNSET-WDEREUQCSA-N 1 0 310.398 0.341 10 0 DCAERO 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416082426 /nfs/dbraw/zinc/08/24/26/416082426.db2.gz OWRYUDWBLPBDFB-UHFFFAOYSA-N 1 0 307.398 0.379 10 0 DCAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000174750304 416086970 /nfs/dbraw/zinc/08/69/70/416086970.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338378800 416088309 /nfs/dbraw/zinc/08/83/09/416088309.db2.gz UGIHIPXPSVYHFO-MJBXVCDLSA-N 1 0 304.456 0.893 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000175045842 416096450 /nfs/dbraw/zinc/09/64/50/416096450.db2.gz QRYRHBKACZNUTP-LBPRGKRZSA-N 1 0 317.393 0.675 10 0 DCAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000309847613 416105428 /nfs/dbraw/zinc/10/54/28/416105428.db2.gz YTGZWLOMKDLULN-FUHWJXTLSA-N 1 0 321.465 0.790 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000176075302 416118757 /nfs/dbraw/zinc/11/87/57/416118757.db2.gz DXFAGBQWYMOQBE-UHFFFAOYSA-N 1 0 319.471 0.647 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000321242727 416121099 /nfs/dbraw/zinc/12/10/99/416121099.db2.gz NDAMYKUONBYOMB-UHFFFAOYSA-N 1 0 311.345 0.826 10 0 DCAERO CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000176377787 416125132 /nfs/dbraw/zinc/12/51/32/416125132.db2.gz FOAUYVMOGCXBGA-UHFFFAOYSA-N 1 0 308.773 0.949 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@@H]1N1CCOCC1 ZINC000177229381 416141437 /nfs/dbraw/zinc/14/14/37/416141437.db2.gz MNDRTGRFPBINPD-BBRMVZONSA-N 1 0 321.465 0.944 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCN1CCOC1=O ZINC000177529114 416147336 /nfs/dbraw/zinc/14/73/36/416147336.db2.gz XJXMNFYQKXLCOG-ZDUSSCGKSA-N 1 0 312.414 0.954 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000177676468 416149473 /nfs/dbraw/zinc/14/94/73/416149473.db2.gz YZHJBFGEDGXZGD-AWEZNQCLSA-N 1 0 305.378 0.723 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000178659426 416167699 /nfs/dbraw/zinc/16/76/99/416167699.db2.gz PLYCIYFTQLWAJG-BWNDKRECSA-N 1 0 311.407 0.925 10 0 DCAERO CN(C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000179075389 416180289 /nfs/dbraw/zinc/18/02/89/416180289.db2.gz IPBGCCVWXBSFAP-CABCVRRESA-N 1 0 316.405 0.897 10 0 DCAERO CN(C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000179072659 416180890 /nfs/dbraw/zinc/18/08/90/416180890.db2.gz XRVCPXJWRAPZDR-STQMWFEESA-N 1 0 311.451 0.898 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)C1CC1 ZINC000179091806 416183647 /nfs/dbraw/zinc/18/36/47/416183647.db2.gz BBTKZNBWYIGLHJ-CQSZACIVSA-N 1 0 310.442 0.932 10 0 DCAERO Cn1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1=O ZINC000180096908 416194070 /nfs/dbraw/zinc/19/40/70/416194070.db2.gz GFKCGSOKMKBYHW-CZUORRHYSA-N 1 0 312.373 0.956 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358121097 416196746 /nfs/dbraw/zinc/19/67/46/416196746.db2.gz KYGAGXWLVBPGMG-QWHCGFSZSA-N 1 0 300.447 0.735 10 0 DCAERO Cc1cnn(C[C@@H]2CN([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478671 416197007 /nfs/dbraw/zinc/19/70/07/416197007.db2.gz APHLYPZJHIQQIM-HOTGVXAUSA-N 1 0 308.426 0.613 10 0 DCAERO COC(=O)[C@H]1C[C@@H](OC)CN1CCCNC(=O)C(F)(F)F ZINC000180648177 416199248 /nfs/dbraw/zinc/19/92/48/416199248.db2.gz QNXHDKFZKIOSRN-RKDXNWHRSA-N 1 0 312.288 0.317 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000358186941 416207507 /nfs/dbraw/zinc/20/75/07/416207507.db2.gz JZVNOLJJEBVSJH-UHFFFAOYSA-N 1 0 322.409 0.477 10 0 DCAERO COc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)on1 ZINC000182141350 416213056 /nfs/dbraw/zinc/21/30/56/416213056.db2.gz RRMIEERTYMRCHW-ZDUSSCGKSA-N 1 0 322.409 0.925 10 0 DCAERO COC[C@H](O)CN1C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000182307297 416219867 /nfs/dbraw/zinc/21/98/67/416219867.db2.gz GKVVPAOTRSRFTL-RBSFLKMASA-N 1 0 318.373 0.111 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330644071 416221676 /nfs/dbraw/zinc/22/16/76/416221676.db2.gz FEBMEPABYRJIJH-VNHYZAJKSA-N 1 0 311.426 0.613 10 0 DCAERO O=C([C@H]1CCC[N@H+](CCCn2ccnc2)C1)N1CCOCC1 ZINC000182620094 416227592 /nfs/dbraw/zinc/22/75/92/416227592.db2.gz CLNNXSFNBQHEEC-HNNXBMFYSA-N 1 0 306.410 0.844 10 0 DCAERO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182904717 416232339 /nfs/dbraw/zinc/23/23/39/416232339.db2.gz RMSLSSGCIMQPNZ-INIZCTEOSA-N 1 0 310.486 0.957 10 0 DCAERO COC(=O)c1ccc(CNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000178307345 416160338 /nfs/dbraw/zinc/16/03/38/416160338.db2.gz NHFXXKBRWNJYGK-UHFFFAOYSA-N 1 0 306.362 0.858 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187343544 416260179 /nfs/dbraw/zinc/26/01/79/416260179.db2.gz BVADACVGFVCXNX-CABCVRRESA-N 1 0 323.441 0.980 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3C[C@H](O)C3(C)C)ccn2)CC1 ZINC000190694131 416281500 /nfs/dbraw/zinc/28/15/00/416281500.db2.gz SATSIDJHQSZRBD-KGLIPLIRSA-N 1 0 318.421 0.723 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000342123568 416283843 /nfs/dbraw/zinc/28/38/43/416283843.db2.gz WWZKJFGTANIWLN-FRRDWIJNSA-N 1 0 311.430 0.559 10 0 DCAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000191287880 416285280 /nfs/dbraw/zinc/28/52/80/416285280.db2.gz HSKBBWWHWUCIIT-STQMWFEESA-N 1 0 323.437 0.301 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)CCO1 ZINC000191679126 416289238 /nfs/dbraw/zinc/28/92/38/416289238.db2.gz YBXAWVVCODRPCQ-GFCCVEGCSA-N 1 0 315.373 0.931 10 0 DCAERO C[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ncnn1C ZINC000252675540 416334660 /nfs/dbraw/zinc/33/46/60/416334660.db2.gz UHVNPBSFNSHISH-GARJFASQSA-N 1 0 318.385 0.340 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261626751 416335731 /nfs/dbraw/zinc/33/57/31/416335731.db2.gz ARWXMQALPFVZSR-ZFWWWQNUSA-N 1 0 319.405 0.547 10 0 DCAERO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262021617 416335887 /nfs/dbraw/zinc/33/58/87/416335887.db2.gz XTSZSNCEYWQEJI-MCIONIFRSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000263239817 416337474 /nfs/dbraw/zinc/33/74/74/416337474.db2.gz OKFUNUIHODSPGH-LOWVWBTDSA-N 1 0 303.428 0.044 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000194653204 416324335 /nfs/dbraw/zinc/32/43/35/416324335.db2.gz BLSOTWPAQSDHFK-NEPJUHHUSA-N 1 0 303.428 0.011 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000194918973 416325011 /nfs/dbraw/zinc/32/50/11/416325011.db2.gz LDTRXYGWCFTUOR-QWHCGFSZSA-N 1 0 319.471 0.503 10 0 DCAERO CCCCOC[C@@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000195183785 416325505 /nfs/dbraw/zinc/32/55/05/416325505.db2.gz XOIIBOLLVVSFIY-AWEZNQCLSA-N 1 0 322.471 0.520 10 0 DCAERO [NH3+]C[C@@H]1CCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000237946676 416329188 /nfs/dbraw/zinc/32/91/88/416329188.db2.gz NXOJUYCOKRIUQU-KRWDZBQOSA-N 1 0 316.449 0.754 10 0 DCAERO CN1CC[NH+](CCC(C)(C)NC(=O)NCCc2cn[nH]c2)CC1 ZINC000360270185 416383274 /nfs/dbraw/zinc/38/32/74/416383274.db2.gz XKCTXAWDOHQIOE-UHFFFAOYSA-N 1 0 322.457 0.668 10 0 DCAERO NC(=O)N[C@H]1CC[N@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000535681459 416523687 /nfs/dbraw/zinc/52/36/87/416523687.db2.gz PJDPAOMNKSGUNU-NSHDSACASA-N 1 0 303.366 0.875 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCCNC2=O)CC[N@@H+]1CC(C)(C)O ZINC000365253992 416601309 /nfs/dbraw/zinc/60/13/09/416601309.db2.gz ASKPXRXXUABKLG-WBMJQRKESA-N 1 0 311.426 0.206 10 0 DCAERO C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000441695521 416679124 /nfs/dbraw/zinc/67/91/24/416679124.db2.gz RDSWONFMRGAEDR-JSGCOSHPSA-N 1 0 308.382 0.409 10 0 DCAERO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)Cn1cccn1 ZINC000514926116 416683376 /nfs/dbraw/zinc/68/33/76/416683376.db2.gz VSZXOBQLWQMSNE-ZDUSSCGKSA-N 1 0 309.414 0.046 10 0 DCAERO COCC[N@@H+]1CC[C@H](NCc2n[nH]cc2Br)C1 ZINC000544355299 416655175 /nfs/dbraw/zinc/65/51/75/416655175.db2.gz DJXZWDGPLRMBAP-VIFPVBQESA-N 1 0 303.204 0.983 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000545175624 416665816 /nfs/dbraw/zinc/66/58/16/416665816.db2.gz MLCWGBQVWAIIMG-UHFFFAOYSA-N 1 0 320.437 0.902 10 0 DCAERO [NH3+]CC1(C(=O)NCc2n[nH]cc2Br)CCOCC1 ZINC000515060167 416690933 /nfs/dbraw/zinc/69/09/33/416690933.db2.gz AGVNLBYIAWMYJD-UHFFFAOYSA-N 1 0 317.187 0.544 10 0 DCAERO COC[C@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000558057952 416758374 /nfs/dbraw/zinc/75/83/74/416758374.db2.gz TZQILYPBOJYRMN-GFCCVEGCSA-N 1 0 313.398 0.228 10 0 DCAERO c1nc2n(c1C[NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651968 416864827 /nfs/dbraw/zinc/86/48/27/416864827.db2.gz ZZCXIEQTNJEXMX-LBPRGKRZSA-N 1 0 324.392 0.636 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(C2CCC2)CC1 ZINC000631950678 416828055 /nfs/dbraw/zinc/82/80/55/416828055.db2.gz NQMKGESWFRRFNT-CQSZACIVSA-N 1 0 302.440 0.817 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000624396486 417029950 /nfs/dbraw/zinc/02/99/50/417029950.db2.gz SXROIIJTXQXHHR-CHWSQXEVSA-N 1 0 307.460 0.377 10 0 DCAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000448255359 417067123 /nfs/dbraw/zinc/06/71/23/417067123.db2.gz IWLPQFNBBSQKGE-NWDGAFQWSA-N 1 0 311.430 0.559 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405899462 417125788 /nfs/dbraw/zinc/12/57/88/417125788.db2.gz ZHVYWVGHIMQQQH-CHWSQXEVSA-N 1 0 305.444 0.259 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000408011863 417133654 /nfs/dbraw/zinc/13/36/54/417133654.db2.gz VUHLIFXWOTWVJT-KBPBESRZSA-N 1 0 303.472 0.873 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN[C@@H](c3ccncc3)C2)[N@H+](C)C1 ZINC000408058647 417137464 /nfs/dbraw/zinc/13/74/64/417137464.db2.gz LEHUWKSPESLCAW-ZNMIVQPWSA-N 1 0 304.394 0.274 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000637642335 417152764 /nfs/dbraw/zinc/15/27/64/417152764.db2.gz UZKWRZJWHDVXEA-VHSXEESVSA-N 1 0 320.319 0.727 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000527103310 417213358 /nfs/dbraw/zinc/21/33/58/417213358.db2.gz FWCYTSNPZZRUEM-UHFFFAOYSA-N 1 0 307.398 0.257 10 0 DCAERO CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(C)C ZINC000617503237 417227584 /nfs/dbraw/zinc/22/75/84/417227584.db2.gz AJPRVJJVLMJWPM-ZFWWWQNUSA-N 1 0 314.474 0.535 10 0 DCAERO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408458856 417163152 /nfs/dbraw/zinc/16/31/52/417163152.db2.gz VOIKMOKTVNCDPQ-SDDRHHMPSA-N 1 0 303.428 0.057 10 0 DCAERO COCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000450627562 417252076 /nfs/dbraw/zinc/25/20/76/417252076.db2.gz UKPPFLDNYLISJS-UTUOFQBUSA-N 1 0 315.332 0.788 10 0 DCAERO COc1cccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528057856 417300198 /nfs/dbraw/zinc/30/01/98/417300198.db2.gz XZOWLGSNNNTFFT-UHFFFAOYSA-N 1 0 300.380 0.481 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CC12COC2 ZINC000451137094 417307820 /nfs/dbraw/zinc/30/78/20/417307820.db2.gz OKOVTNOFPASXTL-KGLIPLIRSA-N 1 0 312.410 0.219 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000633040065 417332222 /nfs/dbraw/zinc/33/22/22/417332222.db2.gz GIQLKLOVWPPOJZ-ZYHUDNBSSA-N 1 0 318.377 0.556 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC12COC2 ZINC000452608192 417492010 /nfs/dbraw/zinc/49/20/10/417492010.db2.gz AGMBPPIIUKLEJK-MCIONIFRSA-N 1 0 324.421 0.897 10 0 DCAERO CN1C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000638419020 417451123 /nfs/dbraw/zinc/45/11/23/417451123.db2.gz DLFXINCLYDRMCS-LSDHHAIUSA-N 1 0 318.421 0.040 10 0 DCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000644147294 417482683 /nfs/dbraw/zinc/48/26/83/417482683.db2.gz OHJLGGSNMXBFKM-BDAKNGLRSA-N 1 0 301.368 0.092 10 0 DCAERO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634712374 417531576 /nfs/dbraw/zinc/53/15/76/417531576.db2.gz DVCDLEBJMKGGIV-CABCVRRESA-N 1 0 314.470 0.989 10 0 DCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682013 417535646 /nfs/dbraw/zinc/53/56/46/417535646.db2.gz REPMHNVEFPAZGA-FVCCEPFGSA-N 1 0 300.424 0.553 10 0 DCAERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)[C@H]1C ZINC000530340289 417567644 /nfs/dbraw/zinc/56/76/44/417567644.db2.gz NFYLKQSVIPUCAR-XDQVBPFNSA-N 1 0 301.383 0.426 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638878410 417574432 /nfs/dbraw/zinc/57/44/32/417574432.db2.gz UMDMYSFJCHNUPI-QMMMGPOBSA-N 1 0 301.188 0.798 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)C3)nn12 ZINC000628424991 417618102 /nfs/dbraw/zinc/61/81/02/417618102.db2.gz XQUGIZZTMHAURL-IHRRRGAJSA-N 1 0 314.393 0.860 10 0 DCAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)CN2CCOCC2)c1 ZINC000028917741 261105123 /nfs/dbraw/zinc/10/51/23/261105123.db2.gz DLROKEGFWNEKIW-DYVFJYSZSA-N 1 0 321.421 0.989 10 0 DCAERO O=C(CN1CC(=O)NC1=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000111617192 261108487 /nfs/dbraw/zinc/10/84/87/261108487.db2.gz RNFPMJBTYLVHIJ-GFCCVEGCSA-N 1 0 308.382 0.015 10 0 DCAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000187919909 261125091 /nfs/dbraw/zinc/12/50/91/261125091.db2.gz BKPRGZOIAZZECZ-MLGOLLRUSA-N 1 0 314.426 0.927 10 0 DCAERO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000194967678 261149589 /nfs/dbraw/zinc/14/95/89/261149589.db2.gz DRGXBAWGYHWENY-ZDUSSCGKSA-N 1 0 305.378 0.379 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000225877223 261153265 /nfs/dbraw/zinc/15/32/65/261153265.db2.gz XFJQAWJJAPVZDU-LLVKDONJSA-N 1 0 321.443 0.525 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000234557311 261154881 /nfs/dbraw/zinc/15/48/81/261154881.db2.gz UBOOMGGTIBXASW-OLZOCXBDSA-N 1 0 318.439 0.684 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262756015 261167393 /nfs/dbraw/zinc/16/73/93/261167393.db2.gz HYFMZEJMNHEJSE-MNOVXSKESA-N 1 0 314.407 0.980 10 0 DCAERO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000354758254 261268452 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/nfs/dbraw/zinc/14/49/83/522144983.db2.gz RLBQEPWTNIUUSN-GXTWGEPZSA-N 1 0 322.409 0.348 10 0 DCAERO C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)C[NH+]1CCCCC1 ZINC000118777268 524381941 /nfs/dbraw/zinc/38/19/41/524381941.db2.gz NBXLJSROUCDBKW-GFCCVEGCSA-N 1 0 324.425 0.555 10 0 DCAERO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157933263 524591552 /nfs/dbraw/zinc/59/15/52/524591552.db2.gz SJSOCSIYCRIQLH-LBPRGKRZSA-N 1 0 320.393 0.125 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000247294208 525043140 /nfs/dbraw/zinc/04/31/40/525043140.db2.gz ULOLNJFJGGRLFL-MCIONIFRSA-N 1 0 319.471 0.614 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000226776231 525044987 /nfs/dbraw/zinc/04/49/87/525044987.db2.gz UVRZKWXZEMGMLU-PNKOWGENSA-N 1 0 303.428 0.213 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000190084128 525066891 /nfs/dbraw/zinc/06/68/91/525066891.db2.gz NNVOGPFEIHLDCR-VXGBXAGGSA-N 1 0 318.377 0.724 10 0 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RTEXABTZJIFKEA-CMPLNLGQSA-N 1 0 302.296 0.944 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000262375446 545984247 /nfs/dbraw/zinc/98/42/47/545984247.db2.gz WNFLIVRQKNPAEH-QMTHXVAHSA-N 1 0 304.325 0.322 10 0 DCAERO C[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)C(=O)c1cccc(F)c1 ZINC000262356499 545984724 /nfs/dbraw/zinc/98/47/24/545984724.db2.gz UUISKCBQWUFFIJ-QKCSRTOESA-N 1 0 308.353 0.731 10 0 DCAERO Cc1ccc(-c2ocnc2C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262385184 545985136 /nfs/dbraw/zinc/98/51/36/545985136.db2.gz XKBSAZSRYKTOBE-QWHCGFSZSA-N 1 0 301.346 0.960 10 0 DCAERO O=C(CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)NCC1CC1 ZINC000333712211 546089488 /nfs/dbraw/zinc/08/94/88/546089488.db2.gz FNJWWABPSDRUKA-UHFFFAOYSA-N 1 0 308.426 0.688 10 0 DCAERO CN(Cc1nnnn1C)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000533847862 546290395 /nfs/dbraw/zinc/29/03/95/546290395.db2.gz GIDJDMUVIULEKR-CYBMUJFWSA-N 1 0 315.381 0.538 10 0 DCAERO Cn1cc([C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2C(N)=O)cn1 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317.386 0.119 10 0 DCAERO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1C ZINC000889070529 657494190 /nfs/dbraw/zinc/49/41/90/657494190.db2.gz RQGURNSKYIHKEN-WDEREUQCSA-N 1 0 321.381 0.907 10 0 DCAERO O=C(CN1CC[NH+](CCCCCCO)CC1)N1CCOCC1 ZINC000175739197 657752180 /nfs/dbraw/zinc/75/21/80/657752180.db2.gz AQNKLUYZBBZZFQ-UHFFFAOYSA-N 1 0 313.442 0.016 10 0 DCAERO CN1CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724041755 657909574 /nfs/dbraw/zinc/90/95/74/657909574.db2.gz OXIUULVIDWKYBQ-RKDXNWHRSA-N 1 0 306.275 0.855 10 0 DCAERO C[C@](O)(C[NH2+][C@H]1CCS(=O)(=O)C1)C(F)(F)C(F)(F)F ZINC000724109824 657968822 /nfs/dbraw/zinc/96/88/22/657968822.db2.gz PFEMHMDOQGPETG-BQBZGAKWSA-N 1 0 311.272 0.712 10 0 DCAERO Cc1ncc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)s1 ZINC000725027772 658032583 /nfs/dbraw/zinc/03/25/83/658032583.db2.gz PBVCEYKUBJKJAV-UHFFFAOYSA-N 1 0 305.425 0.580 10 0 DCAERO CN(Cc1nnnn1Cc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000725036847 658043049 /nfs/dbraw/zinc/04/30/49/658043049.db2.gz LTLVFGWNFNOTEV-UHFFFAOYSA-N 1 0 316.409 0.661 10 0 DCAERO Cn1ncc2c1ncnc2N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000120777873 658485859 /nfs/dbraw/zinc/48/58/59/658485859.db2.gz DFVVJABKPNUMDK-UONOGXRCSA-N 1 0 316.409 0.789 10 0 DCAERO Cc1nsc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000250839838 665589678 /nfs/dbraw/zinc/58/96/78/665589678.db2.gz RQACOMHUUTUDEE-NWDGAFQWSA-N 1 0 309.439 0.931 10 0 DCAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](CCc2ccncc2)C1 ZINC000888076995 658717138 /nfs/dbraw/zinc/71/71/38/658717138.db2.gz BSSAHOTXWMVXGZ-MRXNPFEDSA-N 1 0 301.394 0.822 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CN2CCOC2=S)CC1 ZINC000152585120 658734214 /nfs/dbraw/zinc/73/42/14/658734214.db2.gz JBQHLQYKQAHIEY-AWEZNQCLSA-N 1 0 312.483 0.663 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cncc(Br)c1=O)C1CC1 ZINC000310385338 659330135 /nfs/dbraw/zinc/33/01/35/659330135.db2.gz CHBUFTCQLIZVOC-VIFPVBQESA-N 1 0 302.172 0.461 10 0 DCAERO CCNC(=O)COc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261822933 661730215 /nfs/dbraw/zinc/73/02/15/661730215.db2.gz KMZDRXLHJDALEZ-UHFFFAOYSA-N 1 0 321.377 0.648 10 0 DCAERO [NH3+][C@H]1Cc2ccccc2N(CCn2nc3ccccn3c2=O)C1 ZINC000261825161 661732210 /nfs/dbraw/zinc/73/22/10/661732210.db2.gz WZRZEGOBZQKPPQ-AWEZNQCLSA-N 1 0 309.373 0.886 10 0 DCAERO COc1ccc(OC)c(CCNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261886049 661787213 /nfs/dbraw/zinc/78/72/13/661787213.db2.gz PYNYLWJUDYKDRV-UHFFFAOYSA-N 1 0 308.378 0.870 10 0 DCAERO O=C(CN1CCN(Cc2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000261930372 661853710 /nfs/dbraw/zinc/85/37/10/661853710.db2.gz CRVBHKVGOUCDHW-UHFFFAOYSA-N 1 0 302.422 0.140 10 0 DCAERO COc1ccc([C@@H](CC(=O)NCC2C[NH2+]C2)NC(C)=O)cc1 ZINC000262052585 661998363 /nfs/dbraw/zinc/99/83/63/661998363.db2.gz WMMAGLAIDMLEJQ-OAHLLOKOSA-N 1 0 305.378 0.598 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728155022 662358511 /nfs/dbraw/zinc/35/85/11/662358511.db2.gz OHEUISNSJKFKJL-SOUVJXGZSA-N 1 0 315.410 0.628 10 0 DCAERO C[C@H](Cn1cccn1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262448293 662392053 /nfs/dbraw/zinc/39/20/53/662392053.db2.gz HMDWRHLYWRLSOQ-LMOYCYGVSA-N 1 0 306.410 0.920 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000342584602 662558372 /nfs/dbraw/zinc/55/83/72/662558372.db2.gz JRJGIOOFVOIDOC-CYBMUJFWSA-N 1 0 309.391 0.884 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCCO1 ZINC000183092290 665973514 /nfs/dbraw/zinc/97/35/14/665973514.db2.gz GGOQJIPTODQYEN-TZMCWYRMSA-N 1 0 312.410 0.945 10 0 DCAERO Cc1ccc2nnc(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c1 ZINC000911075085 663979764 /nfs/dbraw/zinc/97/97/64/663979764.db2.gz MMSIXFVBTPAZMO-OLZOCXBDSA-N 1 0 315.377 0.517 10 0 DCAERO Cc1nn(C)c(N2CCC2)c1NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913245680 664293650 /nfs/dbraw/zinc/29/36/50/664293650.db2.gz XDSUBRSWOAANFU-QWHCGFSZSA-N 1 0 319.409 0.740 10 0 DCAERO O=C(c1nn2c(c1F)OCC2)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223845911 664426126 /nfs/dbraw/zinc/42/61/26/664426126.db2.gz MCDRGBYWKCJPNX-SECBINFHSA-N 1 0 322.340 0.545 10 0 DCAERO C#CC[NH+]1CCC(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000057169558 664427869 /nfs/dbraw/zinc/42/78/69/664427869.db2.gz PDERBVVOPVXLJU-HRCADAONSA-N 1 0 321.465 0.946 10 0 DCAERO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC)cc2)CC1 ZINC000157888931 664513628 /nfs/dbraw/zinc/51/36/28/664513628.db2.gz JEHXAQBPJLEOCL-UHFFFAOYSA-N 1 0 305.378 0.731 10 0 DCAERO COC(=O)c1cn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000157923918 664515148 /nfs/dbraw/zinc/51/51/48/664515148.db2.gz FMUUDCQSFAYPHW-IUODEOHRSA-N 1 0 319.409 0.971 10 0 DCAERO O=C([C@H]1CSC(=O)N1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072829371 666433523 /nfs/dbraw/zinc/43/35/23/666433523.db2.gz CCAQNQGKECAPLB-GFCCVEGCSA-N 1 0 312.439 0.051 10 0 DCAERO Cn1nc(Br)cc1C[NH2+]C[C@@H]1COCCN1C ZINC000700188760 666692109 /nfs/dbraw/zinc/69/21/09/666692109.db2.gz DWXOVZRJQVZNMP-SNVBAGLBSA-N 1 0 303.204 0.603 10 0 DCAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700621645 666748172 /nfs/dbraw/zinc/74/81/72/666748172.db2.gz NZHOLEICMKKZIK-DTZQCDIJSA-N 1 0 324.446 0.254 10 0 DCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705667192 667364447 /nfs/dbraw/zinc/36/44/47/667364447.db2.gz JTOQIFLQWRQALZ-CYDGBPFRSA-N 1 0 300.399 0.981 10 0 DCAERO COc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1O ZINC000708361328 667442916 /nfs/dbraw/zinc/44/29/16/667442916.db2.gz MSMXWIMGTMQDBC-UHFFFAOYSA-N 1 0 302.396 0.818 10 0 DCAERO CN1C(=O)CC[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000710965792 667447525 /nfs/dbraw/zinc/44/75/25/667447525.db2.gz VPDYEFQHUPQWDS-LLVKDONJSA-N 1 0 311.382 0.590 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCNC1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711032718 667448243 /nfs/dbraw/zinc/44/82/43/667448243.db2.gz GYBTWTQJEWYNAY-TUAOUCFPSA-N 1 0 313.398 0.489 10 0 DCAERO CC[C@H]1CN(C(=O)N=c2nc(C)[nH]n2CC)CC[N@@H+]1CCOC ZINC000888529125 667637707 /nfs/dbraw/zinc/63/77/07/667637707.db2.gz QCOGJHPHYVIBQU-ZDUSSCGKSA-N 1 0 324.429 0.603 10 0 DCAERO Cc1nc(CN(C)[C@@H]2CCN(C(=O)/C=C\C[NH+](C)C)C2)no1 ZINC000886056902 667727482 /nfs/dbraw/zinc/72/74/82/667727482.db2.gz OCBOKMZQSMJNHJ-CFHLNLSMSA-N 1 0 307.398 0.529 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)CCN2CCNC2=O)C1 ZINC000886078442 667729713 /nfs/dbraw/zinc/72/97/13/667729713.db2.gz RIJGELUQONAJCE-KFWWJZLASA-N 1 0 310.442 0.585 10 0 DCAERO CCN(CC)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717064963 668195969 /nfs/dbraw/zinc/19/59/69/668195969.db2.gz JAAUBMCBJJSNMI-RKDXNWHRSA-N 1 0 303.350 0.785 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000126949214 668692891 /nfs/dbraw/zinc/69/28/91/668692891.db2.gz FRNNJWLQMGPMTF-LVDDQXARSA-N 1 0 309.391 0.549 10 0 DCAERO O=C1C[C@@H]([NH2+]C[C@@H]2COCCO2)[C@H](c2cccnc2)N1C1CC1 ZINC000930429349 669016288 /nfs/dbraw/zinc/01/62/88/669016288.db2.gz MKAJYQMLXTURMR-INMHGKMJSA-N 1 0 317.389 0.891 10 0 DCAERO O=C(CNC(=O)c1cscc1C(F)F)N1CC[NH2+]CC1 ZINC000717243371 669790482 /nfs/dbraw/zinc/79/04/82/669790482.db2.gz XPSIZMJUELMVJH-UHFFFAOYSA-N 1 0 303.334 0.847 10 0 DCAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000794311057 669820486 /nfs/dbraw/zinc/82/04/86/669820486.db2.gz AOCWOOVSKDVREK-LALPHHSUSA-N 1 0 320.397 0.034 10 0 DCAERO Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000794520702 669845882 /nfs/dbraw/zinc/84/58/82/669845882.db2.gz KAPDEKCXZROVTO-SMDDNHRTSA-N 1 0 318.381 0.924 10 0 DCAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000191910574 670113129 /nfs/dbraw/zinc/11/31/29/670113129.db2.gz DTHVBFBYQXZADM-NWDGAFQWSA-N 1 0 310.398 0.909 10 0 DCAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000714243840 670182197 /nfs/dbraw/zinc/18/21/97/670182197.db2.gz MTOHHIMOAPCSRB-GVXVVHGQSA-N 1 0 319.448 0.791 10 0 DCAERO Cc1c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cnn1C ZINC000717039996 671051142 /nfs/dbraw/zinc/05/11/42/671051142.db2.gz 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/nfs/dbraw/zinc/65/82/24/290658224.db2.gz GSBQNKVPDXOVTK-UHFFFAOYSA-N 1 0 310.398 0.165 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246771419 282264905 /nfs/dbraw/zinc/26/49/05/282264905.db2.gz AXUZDYMWTHISSM-MFKMUULPSA-N 1 0 312.439 0.894 10 0 DCAERO C[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)CC1(CO)CC1 ZINC000186784629 529827562 /nfs/dbraw/zinc/82/75/62/529827562.db2.gz HSOTXZCXYINRSI-UHFFFAOYSA-N 1 0 321.421 0.628 10 0 DCAERO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC1(CO)CC1 ZINC000186786365 529871700 /nfs/dbraw/zinc/87/17/00/529871700.db2.gz BDZKTCAOTHNTMB-UHFFFAOYSA-N 1 0 305.378 0.818 10 0 DCAERO C[C@@H]1C[C@@H](N(C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123883425 297258286 /nfs/dbraw/zinc/25/82/86/297258286.db2.gz MJTLVKXIWGKYFO-ZJUUUORDSA-N 1 0 324.347 0.789 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000172059254 198032761 /nfs/dbraw/zinc/03/27/61/198032761.db2.gz DAVSCISGOWAXQN-VXGBXAGGSA-N 1 0 300.366 0.362 10 0 DCAERO 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/nfs/dbraw/zinc/35/57/01/237355701.db2.gz KOVDSVNEMYRFOK-UHFFFAOYSA-N 1 0 312.458 0.474 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC(C)(C)O2)CC1=O ZINC000187346238 237344942 /nfs/dbraw/zinc/34/49/42/237344942.db2.gz FFYVMAMEKAMLIO-OLZOCXBDSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@H]1CN(S(=O)(=O)CC2CCCCC2)CCN1CCO ZINC000188731620 237378521 /nfs/dbraw/zinc/37/85/21/237378521.db2.gz OBYSGDGKGRARTK-ZDUSSCGKSA-N 1 0 304.456 0.895 10 0 DCAERO O=C([C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1)N1CCOCC1 ZINC000188651582 200281654 /nfs/dbraw/zinc/28/16/54/200281654.db2.gz HQBDZHQGSYQZSK-NWDGAFQWSA-N 1 0 324.343 0.871 10 0 DCAERO O=C([C@@H]1CCCC12OCCO2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367388656 296007634 /nfs/dbraw/zinc/00/76/34/296007634.db2.gz QNXGUQIPJXMVFI-GJZGRUSLSA-N 1 0 324.421 0.710 10 0 DCAERO CCNC(=O)c1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000154723069 291215150 /nfs/dbraw/zinc/21/51/50/291215150.db2.gz OZPCALIUGDRHSU-AWEZNQCLSA-N 1 0 308.378 0.508 10 0 DCAERO 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CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000347637279 254173997 /nfs/dbraw/zinc/17/39/97/254173997.db2.gz NFNNLVDHURFABJ-NSHDSACASA-N 1 0 320.393 0.674 10 0 DCAERO CCOCC[N@@H+]1CC[C@@H]2OCC[C@H](C(=O)N3CCCO3)[C@H]2C1 ZINC000248289883 257107658 /nfs/dbraw/zinc/10/76/58/257107658.db2.gz KGAOWZOLJGHHQP-ZNMIVQPWSA-N 1 0 312.410 0.914 10 0 DCAERO COCC[N@@H+]1C[C@H]2OCCN(c3ccnc(N(C)C)n3)[C@H]2C1 ZINC000248147884 257108820 /nfs/dbraw/zinc/10/88/20/257108820.db2.gz WFMLAKFRWLQOGQ-QWHCGFSZSA-N 1 0 307.398 0.078 10 0 DCAERO CCS(=O)(=O)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C)C1 ZINC000248026969 257111832 /nfs/dbraw/zinc/11/18/32/257111832.db2.gz JXHMGLSVRBPAMP-BFHYXJOUSA-N 1 0 312.439 0.627 10 0 DCAERO CNC(=O)[C@@H]1CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000247975768 257112732 /nfs/dbraw/zinc/11/27/32/257112732.db2.gz WEYMZQHPFRRDJB-ZOWXZIJZSA-N 1 0 304.346 0.608 10 0 DCAERO CCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccoc3)C[C@H]12 ZINC000253490519 257105570 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/nfs/dbraw/zinc/83/48/63/395834863.db2.gz NXTJAQZEXNBAGT-ZDUSSCGKSA-N 1 0 319.405 0.835 10 0 DCAERO Cn1cc([C@@H]2CC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116313887 395842664 /nfs/dbraw/zinc/84/26/64/395842664.db2.gz OVAXEKAVTKXCBI-GFCCVEGCSA-N 1 0 319.409 0.930 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000194449226 395797357 /nfs/dbraw/zinc/79/73/57/395797357.db2.gz BIQLBBVBZPAWKL-NSHDSACASA-N 1 0 310.402 0.481 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCS(C)(=O)=O)CC1 ZINC000109751911 395798946 /nfs/dbraw/zinc/79/89/46/395798946.db2.gz DVWXJGARXXKDAC-OAHLLOKOSA-N 1 0 317.499 0.523 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000234360467 395887940 /nfs/dbraw/zinc/88/79/40/395887940.db2.gz RIVGHVUQGHKWTH-CMPLNLGQSA-N 1 0 311.407 0.465 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245457394 395929652 /nfs/dbraw/zinc/92/96/52/395929652.db2.gz CBCKUCZTBNVOAP-HIFRSBDPSA-N 1 0 324.469 0.528 10 0 DCAERO 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/nfs/dbraw/zinc/93/83/42/395938342.db2.gz RWMLMEKWHRBNCB-JSGCOSHPSA-N 1 0 302.440 0.769 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000245925156 395938479 /nfs/dbraw/zinc/93/84/79/395938479.db2.gz HNBHLBKGYJGGDM-AAEUAGOBSA-N 1 0 307.398 0.890 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245914074 395938505 /nfs/dbraw/zinc/93/85/05/395938505.db2.gz KDOHUCCQEUFAHE-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000246120821 395942337 /nfs/dbraw/zinc/94/23/37/395942337.db2.gz IISRUAOAJBUKMO-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@]1(CCO)CCOC1 ZINC000246219800 395944626 /nfs/dbraw/zinc/94/46/26/395944626.db2.gz HMHOJIVYIHAOJF-DZGCQCFKSA-N 1 0 301.431 0.805 10 0 DCAERO CN1CCO[C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246393871 395949251 /nfs/dbraw/zinc/94/92/51/395949251.db2.gz WGIMBVKKUVPTLP-CVEARBPZSA-N 1 0 305.422 0.606 10 0 DCAERO 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/nfs/dbraw/zinc/96/81/30/395968130.db2.gz KQSWISUWCOPKGD-GOEBONIOSA-N 1 0 322.405 0.644 10 0 DCAERO CCOCCN1CC[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1CC ZINC000247232596 395969327 /nfs/dbraw/zinc/96/93/27/395969327.db2.gz RIZFYXACFOFQJW-JKSUJKDBSA-N 1 0 310.442 0.677 10 0 DCAERO C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@@H](O)CN1CCCC1=O ZINC000247346092 395972257 /nfs/dbraw/zinc/97/22/57/395972257.db2.gz OLDQBWBLKUUDQD-NWDGAFQWSA-N 1 0 300.399 0.632 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247376368 395972263 /nfs/dbraw/zinc/97/22/63/395972263.db2.gz VJGAIZDAGLHDEE-KBPBESRZSA-N 1 0 311.426 0.470 10 0 DCAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2CCOCC2)C12CCC2 ZINC000248120537 395982147 /nfs/dbraw/zinc/98/21/47/395982147.db2.gz DWNRHWVNXWNLGS-OWCLPIDISA-N 1 0 312.454 0.959 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2cnn(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000248457365 395988308 /nfs/dbraw/zinc/98/83/08/395988308.db2.gz OSRGKPOKGSUKQP-JSGCOSHPSA-N 1 0 309.414 0.407 10 0 DCAERO 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/nfs/dbraw/zinc/05/21/44/396052144.db2.gz BBKJSQIJCNTZRC-UHFFFAOYSA-N 1 0 313.405 0.736 10 0 DCAERO O=C(NC[C@@H](O)c1ccccc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000261696355 396057690 /nfs/dbraw/zinc/05/76/90/396057690.db2.gz SMBRLWZLUSHDSJ-ZIAGYGMSSA-N 1 0 315.377 0.666 10 0 DCAERO C[C@@]1(CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]C1 ZINC000261758213 396062968 /nfs/dbraw/zinc/06/29/68/396062968.db2.gz LAEHKCDNGDOMBZ-MRXNPFEDSA-N 1 0 303.410 0.302 10 0 DCAERO COc1ccccc1[C@@H]1C[NH2+]CCN1CCN1CCOCC1 ZINC000261773766 396064099 /nfs/dbraw/zinc/06/40/99/396064099.db2.gz OWRQGZMVXFHRRF-INIZCTEOSA-N 1 0 305.422 0.974 10 0 DCAERO Cn1cc([C@@]2(C)CN(C(=O)[C@@H]([NH3+])C3CCOCC3)CCO2)cn1 ZINC000261774360 396064440 /nfs/dbraw/zinc/06/44/40/396064440.db2.gz MOXFWWVNDSFBGU-GOEBONIOSA-N 1 0 322.409 0.248 10 0 DCAERO CCOC(=O)c1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261780167 396064707 /nfs/dbraw/zinc/06/47/07/396064707.db2.gz HISGDVIUBAKYGY-UHFFFAOYSA-N 1 0 306.362 0.987 10 0 DCAERO C[C@@H]1CCC[C@H](NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000261822590 396069583 /nfs/dbraw/zinc/06/95/83/396069583.db2.gz WRSLKPAPZMUFRR-ILXRZTDVSA-N 1 0 324.469 0.291 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249773196 396012730 /nfs/dbraw/zinc/01/27/30/396012730.db2.gz UMOARGBONLJNFJ-KGLIPLIRSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000069129398 396070975 /nfs/dbraw/zinc/07/09/75/396070975.db2.gz RKKOPTPPDCRRMQ-IJLUTSLNSA-N 1 0 305.444 0.413 10 0 DCAERO COc1c(C)cc(C)cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000261973368 396086067 /nfs/dbraw/zinc/08/60/67/396086067.db2.gz BPZUIFPREAUNLR-LBPRGKRZSA-N 1 0 314.407 0.660 10 0 DCAERO COC(=O)c1ccc(CCNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261983033 396086725 /nfs/dbraw/zinc/08/67/25/396086725.db2.gz RXMMRWVTGMWDMR-UHFFFAOYSA-N 1 0 320.389 0.887 10 0 DCAERO COCC(=O)NC[C@H]1CCN(Cc2cccn2C)C[C@H]1[NH+](C)C ZINC000169788888 396092756 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COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000070303126 396101305 /nfs/dbraw/zinc/10/13/05/396101305.db2.gz UCXRWLOVOSFICA-GFCCVEGCSA-N 1 0 312.391 0.371 10 0 DCAERO Cn1c2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc2oc1=O ZINC000262168526 396106504 /nfs/dbraw/zinc/10/65/04/396106504.db2.gz YLAWYOKWTPWACI-ZDUSSCGKSA-N 1 0 305.334 0.824 10 0 DCAERO COc1cc(NC(=O)[C@H]2CCC[NH2+]C2)c(C(N)=O)cc1OC ZINC000262459821 396142531 /nfs/dbraw/zinc/14/25/31/396142531.db2.gz VRSBBCVZMHFMKL-VIFPVBQESA-N 1 0 307.350 0.741 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000262255398 396116155 /nfs/dbraw/zinc/11/61/55/396116155.db2.gz LUKBJYACDJIGBM-PLNCSYRRSA-N 1 0 302.374 0.423 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000262272153 396116714 /nfs/dbraw/zinc/11/67/14/396116714.db2.gz NCYKXBFLZHQKNC-GVXVVHGQSA-N 1 0 310.781 0.588 10 0 DCAERO COC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000171589375 396119564 /nfs/dbraw/zinc/11/95/64/396119564.db2.gz 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396205863 /nfs/dbraw/zinc/20/58/63/396205863.db2.gz JBGBHDQNVTZCBW-CYBMUJFWSA-N 1 0 313.361 0.802 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccnc(-n3ccnc3)c2)n1 ZINC000263223594 396206801 /nfs/dbraw/zinc/20/68/01/396206801.db2.gz MJGCJBBIYHDWJC-GFCCVEGCSA-N 1 0 311.349 0.893 10 0 DCAERO CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C(=O)N1CCOCC1 ZINC000262482697 396145227 /nfs/dbraw/zinc/14/52/27/396145227.db2.gz SGBPZCZLMKPOOS-XQLPTFJDSA-N 1 0 323.437 0.661 10 0 DCAERO NC(=O)c1cccc(OCCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000176013989 396148117 /nfs/dbraw/zinc/14/81/17/396148117.db2.gz HVBHLGDUHKCNFL-AWEZNQCLSA-N 1 0 317.389 0.861 10 0 DCAERO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262547621 396153650 /nfs/dbraw/zinc/15/36/50/396153650.db2.gz SLHGAEXBLOOUSL-WOPDTQHZSA-N 1 0 319.188 0.866 10 0 DCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262564750 396156144 /nfs/dbraw/zinc/15/61/44/396156144.db2.gz WIWWPITYPJZXKC-KZTGVZKYSA-N 1 0 311.426 0.359 10 0 DCAERO COC[C@]1(C(=O)NC[C@H]2COc3ccccc3O2)CC[NH2+]C1 ZINC000262566090 396156301 /nfs/dbraw/zinc/15/63/01/396156301.db2.gz WQEZHBPOUQULOA-LRDDRELGSA-N 1 0 306.362 0.569 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000176498726 396156348 /nfs/dbraw/zinc/15/63/48/396156348.db2.gz LPNYUZXYYMFGLG-CQSZACIVSA-N 1 0 322.409 0.789 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000176499244 396156402 /nfs/dbraw/zinc/15/64/02/396156402.db2.gz DCFVVQWEDAMLQN-CQSZACIVSA-N 1 0 320.393 0.706 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000176644821 396158012 /nfs/dbraw/zinc/15/80/12/396158012.db2.gz ADWHXFNUKGRAMM-WDEREUQCSA-N 1 0 306.366 0.757 10 0 DCAERO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C1C[NH2+]C1 ZINC000262595532 396159565 /nfs/dbraw/zinc/15/95/65/396159565.db2.gz WZHGDVWOOOZPFD-DOMZBBRYSA-N 1 0 301.390 0.759 10 0 DCAERO O=C(C[NH2+]CC1CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000262611007 396161812 /nfs/dbraw/zinc/16/18/12/396161812.db2.gz IPGDKLRGSOMQLX-CQSZACIVSA-N 1 0 309.410 0.083 10 0 DCAERO Cc1nn(C)c(C)c1CCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263262290 396210478 /nfs/dbraw/zinc/21/04/78/396210478.db2.gz RDRGSBOXOUWRNS-CYBMUJFWSA-N 1 0 304.398 0.781 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000176963950 396163767 /nfs/dbraw/zinc/16/37/67/396163767.db2.gz ZJOCSTOLJALCLX-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO O=C(NCc1ccccc1OCCN1CCOCC1)C1C[NH2+]C1 ZINC000263268714 396210521 /nfs/dbraw/zinc/21/05/21/396210521.db2.gz HVHBHLJHEKGFTR-UHFFFAOYSA-N 1 0 319.405 0.233 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccccn1 ZINC000177005593 396164112 /nfs/dbraw/zinc/16/41/12/396164112.db2.gz ZVGSUPNCBKTIQG-CYBMUJFWSA-N 1 0 304.394 0.754 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](C)C1 ZINC000177064699 396165660 /nfs/dbraw/zinc/16/56/60/396165660.db2.gz ITROPVASJADONE-JSGCOSHPSA-N 1 0 304.394 0.656 10 0 DCAERO Cn1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000262656903 396168947 /nfs/dbraw/zinc/16/89/47/396168947.db2.gz CVTJWWHWCMRAOJ-IMJJTQAJSA-N 1 0 317.437 0.989 10 0 DCAERO C[C@H]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[N@@H+]1C1CC1 ZINC000177200689 396169082 /nfs/dbraw/zinc/16/90/82/396169082.db2.gz ORUCZXFDIACWEM-UWVGGRQHSA-N 1 0 308.382 0.058 10 0 DCAERO Cc1cncc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000177204196 396169111 /nfs/dbraw/zinc/16/91/11/396169111.db2.gz UPJPFIJKYLUXBK-AWEZNQCLSA-N 1 0 320.393 0.292 10 0 DCAERO CCc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177675369 396180924 /nfs/dbraw/zinc/18/09/24/396180924.db2.gz VZYGELIOHVXAJG-AWEZNQCLSA-N 1 0 319.405 0.977 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262802908 396183621 /nfs/dbraw/zinc/18/36/21/396183621.db2.gz VXJZTUXSMGPAOQ-MFKMUULPSA-N 1 0 312.391 0.750 10 0 DCAERO Cc1cnn(CCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262822311 396185515 /nfs/dbraw/zinc/18/55/15/396185515.db2.gz RHTQPKOVBLUZEZ-CYBMUJFWSA-N 1 0 302.382 0.743 10 0 DCAERO CN(CC(=O)NC(C)(C)C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262858375 396187712 /nfs/dbraw/zinc/18/77/12/396187712.db2.gz WEHUGSYHEJXTNF-GFCCVEGCSA-N 1 0 321.425 0.794 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2nccn2c1 ZINC000178513494 396197570 /nfs/dbraw/zinc/19/75/70/396197570.db2.gz HLWPIQAHXAXCKU-AWEZNQCLSA-N 1 0 302.378 0.911 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263025963 396198192 /nfs/dbraw/zinc/19/81/92/396198192.db2.gz RKHZBIIHDLJOHZ-RYUDHWBXSA-N 1 0 305.369 0.457 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181684231 396241596 /nfs/dbraw/zinc/24/15/96/396241596.db2.gz VPSVSECBWWBGJL-NSHDSACASA-N 1 0 311.348 0.396 10 0 DCAERO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182037512 396245857 /nfs/dbraw/zinc/24/58/57/396245857.db2.gz JDYUUTHRZZHIJL-LLVKDONJSA-N 1 0 316.365 0.764 10 0 DCAERO C[C@H](C[S@@](C)=O)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000182276631 396249044 /nfs/dbraw/zinc/24/90/44/396249044.db2.gz GJHPUDRYOYUFEZ-MPBGBICISA-N 1 0 305.444 0.165 10 0 DCAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@]1(O)CCOC1 ZINC000178932273 396215297 /nfs/dbraw/zinc/21/52/97/396215297.db2.gz VEQQJIJNTGMQFG-MRXNPFEDSA-N 1 0 308.378 0.508 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000185035717 396315007 /nfs/dbraw/zinc/31/50/07/396315007.db2.gz CSAWIOXGKVYYQU-OAHLLOKOSA-N 1 0 312.458 0.569 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000184074006 396284535 /nfs/dbraw/zinc/28/45/35/396284535.db2.gz TYWUVPIBYJGLHX-ZIAGYGMSSA-N 1 0 319.453 0.972 10 0 DCAERO CC[C@H](CNC(=O)c1cn(CC2(C)COC2)nn1)[NH+]1CCCC1 ZINC000184237879 396288274 /nfs/dbraw/zinc/28/82/74/396288274.db2.gz QPFMZFJRHURANC-CYBMUJFWSA-N 1 0 321.425 0.919 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184407371 396294693 /nfs/dbraw/zinc/29/46/93/396294693.db2.gz LZLOJNWOAOWZTI-LBPRGKRZSA-N 1 0 307.398 0.529 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000184428430 396295254 /nfs/dbraw/zinc/29/52/54/396295254.db2.gz OSUBPNXFGOZOBB-KBPBESRZSA-N 1 0 319.471 0.063 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000184682857 396301544 /nfs/dbraw/zinc/30/15/44/396301544.db2.gz YOTBAHKUPYCITD-AWEZNQCLSA-N 1 0 300.447 0.426 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000184693302 396302883 /nfs/dbraw/zinc/30/28/83/396302883.db2.gz LNSCVUWQDCLEOQ-HNNXBMFYSA-N 1 0 314.474 0.816 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000184777020 396306285 /nfs/dbraw/zinc/30/62/85/396306285.db2.gz HLPZPUJCADYZQC-MRXNPFEDSA-N 1 0 324.469 0.711 10 0 DCAERO COc1ccc(O)cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000186702321 396356380 /nfs/dbraw/zinc/35/63/80/396356380.db2.gz DQBUFGJBCTWSJV-GFCCVEGCSA-N 1 0 307.394 0.767 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187067245 396362548 /nfs/dbraw/zinc/36/25/48/396362548.db2.gz GOCYXBYFRVFNPL-AWEZNQCLSA-N 1 0 324.425 0.017 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cn(C)nc1C ZINC000187808678 396374886 /nfs/dbraw/zinc/37/48/86/396374886.db2.gz FLQQMKBENPBYTC-OLZOCXBDSA-N 1 0 319.409 0.752 10 0 DCAERO CNC(=O)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000186472365 396350629 /nfs/dbraw/zinc/35/06/29/396350629.db2.gz RAZPZZYHPXNOOZ-HNNXBMFYSA-N 1 0 319.405 0.396 10 0 DCAERO NC(=O)COc1ccccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188637530 396384399 /nfs/dbraw/zinc/38/43/99/396384399.db2.gz GBLHHPYXGQJHDR-UHFFFAOYSA-N 1 0 303.362 0.471 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](CCOCC(F)F)C1)N1CCOCC1 ZINC000188651431 396384440 /nfs/dbraw/zinc/38/44/40/396384440.db2.gz WQCJVEBCHHJFOK-GFCCVEGCSA-N 1 0 306.353 0.839 10 0 DCAERO C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1CCO ZINC000188772540 396385785 /nfs/dbraw/zinc/38/57/85/396385785.db2.gz OJYQUQWFBMQBBU-GFCCVEGCSA-N 1 0 316.361 0.875 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188817925 396387571 /nfs/dbraw/zinc/38/75/71/396387571.db2.gz PIJVGPGWNOQHPD-ZDUSSCGKSA-N 1 0 308.426 0.781 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188868724 396388183 /nfs/dbraw/zinc/38/81/83/396388183.db2.gz CKUTVQKEALTARJ-CQSZACIVSA-N 1 0 308.426 0.781 10 0 DCAERO CCn1cc([C@H]2CN(C(=O)NCCn3ccnc3)CCO2)cn1 ZINC000190492900 396407301 /nfs/dbraw/zinc/40/73/01/396407301.db2.gz DQQMSYADLPALKB-CQSZACIVSA-N 1 0 318.381 0.883 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[C@@H](O)C3)ccn2)CC1 ZINC000191155175 396415916 /nfs/dbraw/zinc/41/59/16/396415916.db2.gz OLYDOZPXOPYVLL-UKRRQHHQSA-N 1 0 318.421 0.724 10 0 DCAERO CN1C(=O)N(CC(=O)N2CCC[C@@H]([NH3+])C2)C(=O)C12CCCCC2 ZINC000191349784 396418197 /nfs/dbraw/zinc/41/81/97/396418197.db2.gz TXRFZNMIHFPXRD-GFCCVEGCSA-N 1 0 322.409 0.533 10 0 DCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000192104624 396429475 /nfs/dbraw/zinc/42/94/75/396429475.db2.gz YCWBSROAEGSBRD-GHMZBOCLSA-N 1 0 315.368 0.906 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000192805708 396438154 /nfs/dbraw/zinc/43/81/54/396438154.db2.gz NMYQYKPTXZOUDT-ZIAGYGMSSA-N 1 0 302.440 0.913 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 ZINC000187941163 396377046 /nfs/dbraw/zinc/37/70/46/396377046.db2.gz XUYVLTJHLIIXOA-NWDGAFQWSA-N 1 0 306.366 0.212 10 0 DCAERO CC[C@@H](C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)[NH+](C)C ZINC000268917238 396377285 /nfs/dbraw/zinc/37/72/85/396377285.db2.gz PKBFHSANNXJKSX-GWCFXTLKSA-N 1 0 307.398 0.555 10 0 DCAERO c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(N2CCOCC2)n1 ZINC000515187049 396501642 /nfs/dbraw/zinc/50/16/42/396501642.db2.gz NQDYGGBZLRVCCO-INIZCTEOSA-N 1 0 303.410 0.893 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000193293939 396447994 /nfs/dbraw/zinc/44/79/94/396447994.db2.gz YCWMOLAYTAXDEL-CYBMUJFWSA-N 1 0 311.407 0.404 10 0 DCAERO CCC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000193344794 396449381 /nfs/dbraw/zinc/44/93/81/396449381.db2.gz MSDGFOFPIDMGBP-UHFFFAOYSA-N 1 0 313.423 0.666 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000193403824 396449996 /nfs/dbraw/zinc/44/99/96/396449996.db2.gz KSGKJTUOFOXYBY-IONNQARKSA-N 1 0 304.803 0.594 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193413551 396450765 /nfs/dbraw/zinc/45/07/65/396450765.db2.gz NIPDJRUCTBGUQF-MNOVXSKESA-N 1 0 314.407 0.980 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)N1CCN2CCOC[C@H]2C1 ZINC000371893968 396479500 /nfs/dbraw/zinc/47/95/00/396479500.db2.gz MKBFEYXKRLKKME-OAHLLOKOSA-N 1 0 310.442 0.588 10 0 DCAERO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@@]2(CCOC2)C1 ZINC000375109618 396712035 /nfs/dbraw/zinc/71/20/35/396712035.db2.gz FNWWBNKDQMABCF-NHYWBVRUSA-N 1 0 313.398 0.491 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@H](C)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000375346069 396730709 /nfs/dbraw/zinc/73/07/09/396730709.db2.gz XFIVANVYIHHFKB-SWLSCSKDSA-N 1 0 324.421 0.897 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375435290 396743783 /nfs/dbraw/zinc/74/37/83/396743783.db2.gz GCFUZTKBSCSWJF-SNVBAGLBSA-N 1 0 307.354 0.582 10 0 DCAERO COC(=O)[C@@]1(C)CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000610743606 396758703 /nfs/dbraw/zinc/75/87/03/396758703.db2.gz DABOIYLRELRBJN-HNNXBMFYSA-N 1 0 323.397 0.862 10 0 DCAERO CS[C@@H]1CCC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311846354 396762149 /nfs/dbraw/zinc/76/21/49/396762149.db2.gz VBFCTHXQLFNKKY-SDDRHHMPSA-N 1 0 308.469 0.568 10 0 DCAERO Cc1cc(CC(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)[nH]n1 ZINC000328639075 396829244 /nfs/dbraw/zinc/82/92/44/396829244.db2.gz PKIMXKIVHBIAIO-OAHLLOKOSA-N 1 0 306.410 0.830 10 0 DCAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000611578780 396889275 /nfs/dbraw/zinc/88/92/75/396889275.db2.gz VIDSOFBFIVHNLD-ZNMIVQPWSA-N 1 0 315.410 0.961 10 0 DCAERO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(CC)c3)C2)cn1 ZINC000625616989 396952154 /nfs/dbraw/zinc/95/21/54/396952154.db2.gz OZGDTQTUPYWZQK-HZPDHXFCSA-N 1 0 319.409 0.786 10 0 DCAERO C[NH2+]CCOCCN(C)c1ccc(S(C)(=O)=O)cc1F ZINC000630528398 397038211 /nfs/dbraw/zinc/03/82/11/397038211.db2.gz HQMNMNISTVFZAX-UHFFFAOYSA-N 1 0 304.387 0.901 10 0 DCAERO c1c(C[C@@H]2CC[NH2+]C2)nnn1-c1nc2ccccc2n2nnnc12 ZINC000630590295 397056621 /nfs/dbraw/zinc/05/66/21/397056621.db2.gz CHRDPNUTLBFRJQ-JTQLQIEISA-N 1 0 321.348 0.405 10 0 DCAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000379940703 397268554 /nfs/dbraw/zinc/26/85/54/397268554.db2.gz AWBMTFFZRNOEGU-APPZFPTMSA-N 1 0 300.340 0.168 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000383771912 397278549 /nfs/dbraw/zinc/27/85/49/397278549.db2.gz OLTHBXWNQYRAHU-IHRRRGAJSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@@H]1CC[C@@H]([N@H+](CCO)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000408209635 397350426 /nfs/dbraw/zinc/35/04/26/397350426.db2.gz VACBZZQDSNVBGI-CHWSQXEVSA-N 1 0 305.440 0.409 10 0 DCAERO C[NH+](C)[C@H]1CN(c2ncnc3c2cnn3C(C)(C)C)C[C@@H]1O ZINC000365809308 397320607 /nfs/dbraw/zinc/32/06/07/397320607.db2.gz JXCCADCZISZQTP-RYUDHWBXSA-N 1 0 304.398 0.692 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000369201890 397434234 /nfs/dbraw/zinc/43/42/34/397434234.db2.gz CZVCXBVJQVOHEA-YPMHNXCESA-N 1 0 324.343 0.871 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000370296854 397466965 /nfs/dbraw/zinc/46/69/65/397466965.db2.gz AJUSZTDYWRDHPE-ZSAUSMIDSA-N 1 0 322.453 0.977 10 0 DCAERO CC(C)(O)C[NH+]1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000579541599 397578315 /nfs/dbraw/zinc/57/83/15/397578315.db2.gz LLUIJKPNTPHASQ-UHFFFAOYSA-N 1 0 313.442 0.901 10 0 DCAERO O[C@H](C[NH2+]CCSCC(F)(F)F)CN1CCOCC1 ZINC000579582635 397581127 /nfs/dbraw/zinc/58/11/27/397581127.db2.gz IZJKMOLKFFMBAM-SNVBAGLBSA-N 1 0 302.362 0.565 10 0 DCAERO CCc1n[nH]cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604351363 397637726 /nfs/dbraw/zinc/63/77/26/397637726.db2.gz NZFYDLGGWJLSRW-ZDUSSCGKSA-N 1 0 305.426 0.824 10 0 DCAERO CN(CC1CC1)C(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388767 397639015 /nfs/dbraw/zinc/63/90/15/397639015.db2.gz JSBBKPKDFVJJGY-MRXNPFEDSA-N 1 0 308.470 0.567 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000246162190 297100510 /nfs/dbraw/zinc/10/05/10/297100510.db2.gz FCGCSSCPSLYMLL-ILXRZTDVSA-N 1 0 315.483 0.827 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000068223490 158042076 /nfs/dbraw/zinc/04/20/76/158042076.db2.gz OAXCCAWATHMGLL-JTQLQIEISA-N 1 0 317.411 0.633 10 0 DCAERO COCCCNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969075 158063630 /nfs/dbraw/zinc/06/36/30/158063630.db2.gz ZASNTXUJMKCHLS-OAHLLOKOSA-N 1 0 313.442 0.326 10 0 DCAERO C[C@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077836775 158070447 /nfs/dbraw/zinc/07/04/47/158070447.db2.gz DVKLKQGSXBCOQB-RDBSUJKOSA-N 1 0 313.442 0.803 10 0 DCAERO CCOCCNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000079147277 158077359 /nfs/dbraw/zinc/07/73/59/158077359.db2.gz DAFWBQXTVPSEDP-INIZCTEOSA-N 1 0 321.421 0.741 10 0 DCAERO CCC[C@H](NC(N)=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000082991735 158087026 /nfs/dbraw/zinc/08/70/26/158087026.db2.gz ZXTWEXNBKDPASQ-ZDUSSCGKSA-N 1 0 312.414 0.147 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000083774638 158088379 /nfs/dbraw/zinc/08/83/79/158088379.db2.gz FTRPJZRCJIZDCN-VXGBXAGGSA-N 1 0 304.412 0.438 10 0 DCAERO CNS(=O)(=O)c1cc(NC(=O)C[C@H]2CC[NH2+]C2)ccc1C ZINC000089742442 158098742 /nfs/dbraw/zinc/09/87/42/158098742.db2.gz LRRAEVWFYAISSO-LLVKDONJSA-N 1 0 311.407 0.841 10 0 DCAERO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CC1CC(O)C1)C(=O)OC ZINC000091491039 158107664 /nfs/dbraw/zinc/10/76/64/158107664.db2.gz IZWXCZOQTLDHDR-BBCYWQGDSA-N 1 0 300.399 0.393 10 0 DCAERO CC1CC[NH+](CCCNC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104799323 158129597 /nfs/dbraw/zinc/12/95/97/158129597.db2.gz PKXGKRJFOLISSZ-HNNXBMFYSA-N 1 0 312.458 0.738 10 0 DCAERO Cc1nc(CN2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)no1 ZINC000105845768 158130723 /nfs/dbraw/zinc/13/07/23/158130723.db2.gz WEGRLRGXGNDQGT-HNNXBMFYSA-N 1 0 323.441 0.605 10 0 DCAERO Cn1cc(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000107281809 158135240 /nfs/dbraw/zinc/13/52/40/158135240.db2.gz FFUDQEKOWXHPNA-MRXNPFEDSA-N 1 0 319.453 0.591 10 0 DCAERO Cc1c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cnn1C ZINC000107284318 158135629 /nfs/dbraw/zinc/13/56/29/158135629.db2.gz LDVQPXILEXJMGX-OAHLLOKOSA-N 1 0 319.453 0.971 10 0 DCAERO CCS(=O)(=O)NCCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000109329504 158135916 /nfs/dbraw/zinc/13/59/16/158135916.db2.gz GOUJZXDSDZPYIW-ZDUSSCGKSA-N 1 0 300.428 0.768 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1 ZINC000114415675 158153150 /nfs/dbraw/zinc/15/31/50/158153150.db2.gz OEPKFFMLEDZONJ-HNNXBMFYSA-N 1 0 318.421 0.971 10 0 DCAERO CC[C@H](C)[C@H](O)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000114964566 158160191 /nfs/dbraw/zinc/16/01/91/158160191.db2.gz YYDFFMLWDXKWRU-MELADBBJSA-N 1 0 301.431 0.803 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000116928824 158169074 /nfs/dbraw/zinc/16/90/74/158169074.db2.gz ZKZHPOVCSSPKRU-NSHDSACASA-N 1 0 316.361 0.326 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000118124507 158175936 /nfs/dbraw/zinc/17/59/36/158175936.db2.gz GVEGZCGFLWQXJY-LBPRGKRZSA-N 1 0 323.368 0.991 10 0 DCAERO CC(C)[C@@H](CNC(=O)CCc1ccnn1C)[NH+]1CCN(C)CC1 ZINC000119391388 158187699 /nfs/dbraw/zinc/18/76/99/158187699.db2.gz RBHQACJBWCHXNO-MRXNPFEDSA-N 1 0 321.469 0.741 10 0 DCAERO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC2CCOCC2)CCN1C ZINC000122071659 158218379 /nfs/dbraw/zinc/21/83/79/158218379.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 1 0 300.443 0.957 10 0 DCAERO NC(=O)c1ccc(C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC000123770441 158233843 /nfs/dbraw/zinc/23/38/43/158233843.db2.gz OYSMZSKIGNUJHB-UHFFFAOYSA-N 1 0 306.366 0.023 10 0 DCAERO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000124857563 158248230 /nfs/dbraw/zinc/24/82/30/158248230.db2.gz MNMFVRJYQVUMIW-BFQNTYOBSA-N 1 0 305.378 0.438 10 0 DCAERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CNC(=O)C[NH3+])C2)cc1 ZINC000124962893 158249346 /nfs/dbraw/zinc/24/93/46/158249346.db2.gz RXNMXTGAKDQYHS-DGCLKSJQSA-N 1 0 305.378 0.475 10 0 DCAERO C[N@H+](C[C@H](O)COC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000125164817 158252671 /nfs/dbraw/zinc/25/26/71/158252671.db2.gz CCDNBPKWOSLZQH-ZDUSSCGKSA-N 1 0 322.471 0.518 10 0 DCAERO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000125459915 158254549 /nfs/dbraw/zinc/25/45/49/158254549.db2.gz LVVLUAILCPQMJC-RYUDHWBXSA-N 1 0 311.426 0.517 10 0 DCAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cccc(S(N)(=O)=O)c1 ZINC000126440180 158264565 /nfs/dbraw/zinc/26/45/65/158264565.db2.gz VXZUDJYBWFWHCS-LLVKDONJSA-N 1 0 309.395 0.666 10 0 DCAERO CC[C@H](CCO)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000129666113 158290779 /nfs/dbraw/zinc/29/07/79/158290779.db2.gz HNMAQRDJINTDAM-CQSZACIVSA-N 1 0 320.437 0.972 10 0 DCAERO COCCCCS(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000132697425 158312762 /nfs/dbraw/zinc/31/27/62/158312762.db2.gz CXFBKEUBQSHTLZ-UHFFFAOYSA-N 1 0 308.444 0.443 10 0 DCAERO CC[C@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1CCOC ZINC000133329695 158318101 /nfs/dbraw/zinc/31/81/01/158318101.db2.gz JZTDAMMGZZEOOB-ZDUSSCGKSA-N 1 0 310.398 0.395 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC000133674495 158320378 /nfs/dbraw/zinc/32/03/78/158320378.db2.gz CGMJHNGXFSXIMH-LBPRGKRZSA-N 1 0 307.423 0.220 10 0 DCAERO COCC(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000133617908 158320798 /nfs/dbraw/zinc/32/07/98/158320798.db2.gz ZMOPBDHUNALDFJ-GUTXKFCHSA-N 1 0 311.426 0.469 10 0 DCAERO O=C1[C@@H]([NH+]2CCC(N3CCCNC3=O)CC2)CCN1C1CC1 ZINC000135447773 158336271 /nfs/dbraw/zinc/33/62/71/158336271.db2.gz RMLHZUXXBBJHMN-AWEZNQCLSA-N 1 0 306.410 0.629 10 0 DCAERO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154588330 158350991 /nfs/dbraw/zinc/35/09/91/158350991.db2.gz GXNBROHSZDGRFX-WCQYABFASA-N 1 0 308.382 0.334 10 0 DCAERO CCc1nnc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000158474010 158352671 /nfs/dbraw/zinc/35/26/71/158352671.db2.gz KGTHPJHWBFBYEM-AWEZNQCLSA-N 1 0 306.458 0.969 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(O)CCSCC1 ZINC000163463407 158362582 /nfs/dbraw/zinc/36/25/82/158362582.db2.gz PRXIKEFNXJUGAN-LBPRGKRZSA-N 1 0 302.440 0.472 10 0 DCAERO CO[C@H]1CCN(S(=O)(=O)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000167300771 158367972 /nfs/dbraw/zinc/36/79/72/158367972.db2.gz RRQJUHRNRYIYKW-OLZOCXBDSA-N 1 0 305.444 0.401 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000171764574 158386693 /nfs/dbraw/zinc/38/66/93/158386693.db2.gz ZQLLVCIJQNWMTO-CVEARBPZSA-N 1 0 324.469 0.977 10 0 DCAERO CCNS(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193435718 158584098 /nfs/dbraw/zinc/58/40/98/158584098.db2.gz LCWSFZQERNJTIY-GXFFZTMASA-N 1 0 319.377 0.854 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@]1(CCO)CCOC1 ZINC000246219807 158659761 /nfs/dbraw/zinc/65/97/61/158659761.db2.gz HMHOJIVYIHAOJF-UKRRQHHQSA-N 1 0 301.431 0.805 10 0 DCAERO CN(C(=O)CCN1CCCS1(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261816334 158741511 /nfs/dbraw/zinc/74/15/11/158741511.db2.gz NAFHXYXEGUNYKL-FUNVUKJBSA-N 1 0 315.439 0.153 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c[nH]1 ZINC000261867199 158747675 /nfs/dbraw/zinc/74/76/75/158747675.db2.gz SQTAJYUJINNRJY-NSHDSACASA-N 1 0 315.395 0.549 10 0 DCAERO CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261937527 158756758 /nfs/dbraw/zinc/75/67/58/158756758.db2.gz CUAFIEZBKBCRIC-FRRDWIJNSA-N 1 0 302.440 0.787 10 0 DCAERO CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262229048 158787574 /nfs/dbraw/zinc/78/75/74/158787574.db2.gz KCOGRUZZGSSSEA-FZMZJTMJSA-N 1 0 320.393 0.527 10 0 DCAERO O=C(COc1ccc2ccccc2c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262325268 158797826 /nfs/dbraw/zinc/79/78/26/158797826.db2.gz RTIPNXHVRWZBJT-GOEBONIOSA-N 1 0 300.358 0.915 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC[NH2+]1 ZINC000262444602 158813411 /nfs/dbraw/zinc/81/34/11/158813411.db2.gz TYYVEBBLWKISKS-IHRRRGAJSA-N 1 0 305.426 0.893 10 0 DCAERO CC(=O)Nc1cccc(OCCNC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262576411 158827318 /nfs/dbraw/zinc/82/73/18/158827318.db2.gz TVSVERLUVYJCIQ-LLVKDONJSA-N 1 0 305.378 0.996 10 0 DCAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262697996 158834613 /nfs/dbraw/zinc/83/46/13/158834613.db2.gz ADVUPLGZNCAVQX-NWDGAFQWSA-N 1 0 314.389 0.685 10 0 DCAERO NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262769797 158839279 /nfs/dbraw/zinc/83/92/79/158839279.db2.gz MGEIIIWSVNRSCQ-FRRDWIJNSA-N 1 0 319.409 0.582 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cs1 ZINC000262808375 158842457 /nfs/dbraw/zinc/84/24/57/158842457.db2.gz XKTMEBIDGVJEMB-WCBMZHEXSA-N 1 0 318.420 0.811 10 0 DCAERO C[N@H+](CCN1CCNC1=O)C1CCN(c2cccnn2)CC1 ZINC000328601231 159014674 /nfs/dbraw/zinc/01/46/74/159014674.db2.gz FDFKWLXBTGROIL-UHFFFAOYSA-N 1 0 304.398 0.607 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000328633792 159015821 /nfs/dbraw/zinc/01/58/21/159015821.db2.gz BCXCTVMOMNUHCJ-AWEZNQCLSA-N 1 0 319.405 0.908 10 0 DCAERO C[C@H]1CN(C(=O)Cc2ccon2)CCN1C1CC[NH+](C)CC1 ZINC000329116950 159064168 /nfs/dbraw/zinc/06/41/68/159064168.db2.gz UFTWHQOHPHZRPM-ZDUSSCGKSA-N 1 0 306.410 0.844 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cnn2ccncc12 ZINC000329132246 159065832 /nfs/dbraw/zinc/06/58/32/159065832.db2.gz YFQIMRKVPAQVTN-DGCLKSJQSA-N 1 0 303.366 0.256 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4n[nH]nc43)C[C@@H]21 ZINC000329206644 159073193 /nfs/dbraw/zinc/07/31/93/159073193.db2.gz XLMYXWJTRSANKT-STQMWFEESA-N 1 0 319.340 0.642 10 0 DCAERO O=C(Cn1ncc(=O)c2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000329343262 159084051 /nfs/dbraw/zinc/08/40/51/159084051.db2.gz PZDZOWDPLYQFEP-UHFFFAOYSA-N 1 0 312.373 0.703 10 0 DCAERO CCN1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)CC1=O ZINC000329405393 159089757 /nfs/dbraw/zinc/08/97/57/159089757.db2.gz ZDROCPXNSFQFNH-AWEZNQCLSA-N 1 0 309.410 0.178 10 0 DCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC000329509724 159098155 /nfs/dbraw/zinc/09/81/55/159098155.db2.gz BHRJRWUFPRVRBF-NWDGAFQWSA-N 1 0 308.382 0.854 10 0 DCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC000329509723 159098196 /nfs/dbraw/zinc/09/81/96/159098196.db2.gz BHRJRWUFPRVRBF-NEPJUHHUSA-N 1 0 308.382 0.854 10 0 DCAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cn(C2CCOCC2)nn1 ZINC000329552011 159102196 /nfs/dbraw/zinc/10/21/96/159102196.db2.gz FZKAPSXNGKLHGH-TXEJJXNPSA-N 1 0 307.398 0.794 10 0 DCAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330132194 159145004 /nfs/dbraw/zinc/14/50/04/159145004.db2.gz QEMPYHQTZLAELF-AEGPPILISA-N 1 0 312.410 0.238 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332751695 159212330 /nfs/dbraw/zinc/21/23/30/159212330.db2.gz BJYFBGDVRWGVLB-VHDGCEQUSA-N 1 0 310.442 0.489 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367023616 159305540 /nfs/dbraw/zinc/30/55/40/159305540.db2.gz YLBYRUPCUYOGBN-MRXNPFEDSA-N 1 0 316.405 0.998 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000367056246 159310112 /nfs/dbraw/zinc/31/01/12/159310112.db2.gz WYXTWPCXDRLOOR-INIZCTEOSA-N 1 0 309.410 0.180 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407971169 160000276 /nfs/dbraw/zinc/00/02/76/160000276.db2.gz OIQAHUOROAEJAZ-CYBMUJFWSA-N 1 0 308.426 0.735 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018160 160012902 /nfs/dbraw/zinc/01/29/02/160012902.db2.gz PSKSDBVOAWALAT-STQMWFEESA-N 1 0 317.455 0.641 10 0 DCAERO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408034107 160017318 /nfs/dbraw/zinc/01/73/18/160017318.db2.gz QZUFMHMKIRJOLS-OWCLPIDISA-N 1 0 317.437 0.873 10 0 DCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408034448 160017958 /nfs/dbraw/zinc/01/79/58/160017958.db2.gz UBHCKCOENCVQLC-CHWSQXEVSA-N 1 0 318.425 0.182 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC000408043885 160020693 /nfs/dbraw/zinc/02/06/93/160020693.db2.gz RUJJEJWXXSBKKO-KBPBESRZSA-N 1 0 318.377 0.722 10 0 DCAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000408045672 160021324 /nfs/dbraw/zinc/02/13/24/160021324.db2.gz SKNMSBPMHMZVKL-MCIONIFRSA-N 1 0 320.455 0.178 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000408054860 160024293 /nfs/dbraw/zinc/02/42/93/160024293.db2.gz OXUAUQBBCZGNSY-MRXNPFEDSA-N 1 0 311.426 0.208 10 0 DCAERO C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CCO1 ZINC000408143953 160047024 /nfs/dbraw/zinc/04/70/24/160047024.db2.gz FCQKSRBIFXWCGM-OLZOCXBDSA-N 1 0 309.410 0.224 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC[N@@H+]1C ZINC000408223990 160062946 /nfs/dbraw/zinc/06/29/46/160062946.db2.gz GAUFLLLBPNFROD-VXGBXAGGSA-N 1 0 300.362 0.907 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000408225171 160063610 /nfs/dbraw/zinc/06/36/10/160063610.db2.gz IWVVKGIMFQBZGD-NEPJUHHUSA-N 1 0 310.398 0.069 10 0 DCAERO COC(=O)C1(CS(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000408234178 160065593 /nfs/dbraw/zinc/06/55/93/160065593.db2.gz CQKFTWBONXEJFQ-GFCCVEGCSA-N 1 0 316.423 0.440 10 0 DCAERO C[NH+](C)C[C@H]1CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000408246630 160068493 /nfs/dbraw/zinc/06/84/93/160068493.db2.gz OAHVFUMZBAUSFN-BWBHSNQOSA-N 1 0 322.409 0.307 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000408290437 160077608 /nfs/dbraw/zinc/07/76/08/160077608.db2.gz PGQGYDOTYVWMDG-BJJXKVORSA-N 1 0 311.426 0.206 10 0 DCAERO Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H](C2CC2)[NH+]2CCCC2)n1 ZINC000408383731 160096727 /nfs/dbraw/zinc/09/67/27/160096727.db2.gz BIOGCLHGFHAJIA-BFHYXJOUSA-N 1 0 320.393 0.887 10 0 DCAERO C[C@H]1CN(C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000408421944 160104204 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ZINC000139273164 287029277 /nfs/dbraw/zinc/02/92/77/287029277.db2.gz JKYSCASCSQGADU-AWEZNQCLSA-N 1 0 309.414 0.745 10 0 DCAERO C[C@@H]1C[NH+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000176980145 287053080 /nfs/dbraw/zinc/05/30/80/287053080.db2.gz HHCLRVVALSKACU-RKDXNWHRSA-N 1 0 311.304 0.874 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(-n2cncn2)c1 ZINC000153483841 287050570 /nfs/dbraw/zinc/05/05/70/287050570.db2.gz INANECYZNHZKTE-OAHLLOKOSA-N 1 0 303.366 0.310 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CCS(=O)(=O)C1 ZINC000333078772 296854145 /nfs/dbraw/zinc/85/41/45/296854145.db2.gz WPIDJFUJECIIAP-FRRDWIJNSA-N 1 0 317.455 0.545 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1=O ZINC000186887151 287057777 /nfs/dbraw/zinc/05/77/77/287057777.db2.gz ATEBJEJUQQBQIP-CHWSQXEVSA-N 1 0 316.405 0.937 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000245404569 287068770 /nfs/dbraw/zinc/06/87/70/287068770.db2.gz PSISIVAKUPCPKH-MGPQQGTHSA-N 1 0 311.426 0.184 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000246052956 287075763 /nfs/dbraw/zinc/07/57/63/287075763.db2.gz CLRDICRRPXCARM-RDBSUJKOSA-N 1 0 319.471 0.614 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)COc2ccccc2F)CC[N@@H+]1CCO ZINC000249553605 287113629 /nfs/dbraw/zinc/11/36/29/287113629.db2.gz IYIAUYYPYLCXFI-ZIAGYGMSSA-N 1 0 312.385 0.564 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c(C)o1 ZINC000249495938 287112066 /nfs/dbraw/zinc/11/20/66/287112066.db2.gz ZWFMLZVWHGFGFZ-JTQLQIEISA-N 1 0 302.396 0.584 10 0 DCAERO Cc1nccc(N2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000333819041 287147049 /nfs/dbraw/zinc/14/70/49/287147049.db2.gz KONLVLLAIZQJGG-AWEZNQCLSA-N 1 0 318.425 0.759 10 0 DCAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000305649036 287143432 /nfs/dbraw/zinc/14/34/32/287143432.db2.gz SYMGJJMPFMZJGG-MELADBBJSA-N 1 0 304.456 0.751 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)S1(=O)=O ZINC000333729723 287143658 /nfs/dbraw/zinc/14/36/58/287143658.db2.gz VXIZNYWYFPWPHF-JHJVBQTASA-N 1 0 317.455 0.736 10 0 DCAERO CCn1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cn1 ZINC000358402481 287209509 /nfs/dbraw/zinc/20/95/09/287209509.db2.gz SXEPJXPSTSVJLE-UHFFFAOYSA-N 1 0 305.382 0.610 10 0 DCAERO CC[C@H]1CN(c2ccc(C(=O)NC)nn2)CC[N@@H+]1C[C@H](C)O ZINC000266845444 415139714 /nfs/dbraw/zinc/13/97/14/415139714.db2.gz OLMUMGAECSRNKX-RYUDHWBXSA-N 1 0 307.398 0.118 10 0 DCAERO CS(=O)(=O)NCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074136 415304971 /nfs/dbraw/zinc/30/49/71/415304971.db2.gz MMBPNIAIRKQLGZ-UHFFFAOYSA-N 1 0 317.455 0.260 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCNC(=O)C1 ZINC000057201942 415336497 /nfs/dbraw/zinc/33/64/97/415336497.db2.gz HEYPRHSKRUVNTE-CQSZACIVSA-N 1 0 304.394 0.301 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1=O ZINC000073932048 415423443 /nfs/dbraw/zinc/42/34/43/415423443.db2.gz WJMIXGDAZIPLID-MJBXVCDLSA-N 1 0 311.426 0.064 10 0 DCAERO C[C@H](CNC(=O)N1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000074654831 415433969 /nfs/dbraw/zinc/43/39/69/415433969.db2.gz RBCNSAPMUQVZEN-ILXRZTDVSA-N 1 0 312.458 0.689 10 0 DCAERO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC1(C)C)c(=O)n2C ZINC000077382887 415462937 /nfs/dbraw/zinc/46/29/37/415462937.db2.gz FTAZFZQKROLTLF-UHFFFAOYSA-N 1 0 319.409 0.698 10 0 DCAERO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000332789799 415478160 /nfs/dbraw/zinc/47/81/60/415478160.db2.gz IHXJICQZPRGGIY-MGPQQGTHSA-N 1 0 306.410 0.557 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085902959 415505590 /nfs/dbraw/zinc/50/55/90/415505590.db2.gz FMMPZITZQUBMOE-QWHCGFSZSA-N 1 0 308.444 0.035 10 0 DCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000103284843 415611927 /nfs/dbraw/zinc/61/19/27/415611927.db2.gz VYRHCPWDLZOCEM-NWDGAFQWSA-N 1 0 315.373 0.868 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000106929532 415655543 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C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000333676055 415713267 /nfs/dbraw/zinc/71/32/67/415713267.db2.gz NZFYCFJBMKWVGN-OCCSQVGLSA-N 1 0 323.466 0.968 10 0 DCAERO COc1ncnc(N(C)C)c1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333826114 415746686 /nfs/dbraw/zinc/74/66/86/415746686.db2.gz LPTTULGBZMBKTB-UHFFFAOYSA-N 1 0 320.397 0.911 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000118772718 415736521 /nfs/dbraw/zinc/73/65/21/415736521.db2.gz HVZIHFQGFSOFNP-NSHDSACASA-N 1 0 310.398 0.165 10 0 DCAERO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000120460336 415768992 /nfs/dbraw/zinc/76/89/92/415768992.db2.gz ZFWSKGOOKOGYIM-AAEUAGOBSA-N 1 0 320.393 0.970 10 0 DCAERO C[NH2+]CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000123001990 415839231 /nfs/dbraw/zinc/83/92/31/415839231.db2.gz ZVDQKNPMKRWAFW-UHFFFAOYSA-N 1 0 320.798 0.999 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC1(CO)COC1 ZINC000120937997 415789300 /nfs/dbraw/zinc/78/93/00/415789300.db2.gz 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415862099 /nfs/dbraw/zinc/86/20/99/415862099.db2.gz KUAMZPQPIOSRHA-UHFFFAOYSA-N 1 0 307.442 0.449 10 0 DCAERO Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000134099588 415953551 /nfs/dbraw/zinc/95/35/51/415953551.db2.gz JXWFQEBLGOLTGP-CYBMUJFWSA-N 1 0 310.398 0.205 10 0 DCAERO CN1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1=O ZINC000172559312 416047616 /nfs/dbraw/zinc/04/76/16/416047616.db2.gz NQPPOZDAPNFAQM-GJZGRUSLSA-N 1 0 318.421 0.689 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000173274124 416056268 /nfs/dbraw/zinc/05/62/68/416056268.db2.gz OFFYFTQYDRVJQA-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO COC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nn1 ZINC000301293423 416079946 /nfs/dbraw/zinc/07/99/46/416079946.db2.gz QMZFKNDRIBIDAZ-LBPRGKRZSA-N 1 0 304.354 0.712 10 0 DCAERO CN(C)C(=O)CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000173337249 416057454 /nfs/dbraw/zinc/05/74/54/416057454.db2.gz WONWPSVSTCEVNZ-UHFFFAOYSA-N 1 0 324.469 0.531 10 0 DCAERO CCc1nc(C2(NC[C@H](O)CN3CCCC3=O)CCCC2)no1 ZINC000174236578 416076494 /nfs/dbraw/zinc/07/64/94/416076494.db2.gz UHMYDPWUNQRVKA-LBPRGKRZSA-N 1 0 322.409 0.974 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159046919 416006338 /nfs/dbraw/zinc/00/63/38/416006338.db2.gz ZWEICGVIIKXJNW-RYUDHWBXSA-N 1 0 305.444 0.113 10 0 DCAERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000301233139 416078683 /nfs/dbraw/zinc/07/86/83/416078683.db2.gz KHODXEWZXBKEBB-GFCCVEGCSA-N 1 0 310.423 0.664 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000165762513 416020558 /nfs/dbraw/zinc/02/05/58/416020558.db2.gz FGAVJWURWFAJDV-HUUCEWRRSA-N 1 0 316.405 0.897 10 0 DCAERO CCc1nnc2ccc(NC[C@@H](O)C[NH+]3CCCCC3)nn21 ZINC000174684672 416083315 /nfs/dbraw/zinc/08/33/15/416083315.db2.gz IXESNLVVICHLRV-GFCCVEGCSA-N 1 0 304.398 0.945 10 0 DCAERO CC(C)N1CC[C@@H]([N@@H+]2CCCN(c3cccnn3)CC2)C1=O ZINC000175184863 416099940 /nfs/dbraw/zinc/09/99/40/416099940.db2.gz NGKSMOCKGJMUDV-CQSZACIVSA-N 1 0 303.410 0.998 10 0 DCAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000309847616 416105816 /nfs/dbraw/zinc/10/58/16/416105816.db2.gz YTGZWLOMKDLULN-WMZOPIPTSA-N 1 0 321.465 0.790 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC2(C1)CCCCC2 ZINC000313653161 416109026 /nfs/dbraw/zinc/10/90/26/416109026.db2.gz JSEPOPBLQNZAEP-ZDUSSCGKSA-N 1 0 302.440 0.961 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000176427024 416125230 /nfs/dbraw/zinc/12/52/30/416125230.db2.gz AUHCQZUZYCFTFU-UPJWGTAASA-N 1 0 306.414 0.621 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@H]2C1 ZINC000329409019 416167989 /nfs/dbraw/zinc/16/79/89/416167989.db2.gz ACNSVJBIEMRFPW-QLFBSQMISA-N 1 0 318.421 0.767 10 0 DCAERO Cc1c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cnn1C ZINC000178926252 416178173 /nfs/dbraw/zinc/17/81/73/416178173.db2.gz WVXVCKYJJZKSLJ-UHFFFAOYSA-N 1 0 321.425 0.904 10 0 DCAERO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000179184475 416185503 /nfs/dbraw/zinc/18/55/03/416185503.db2.gz FASBAEQUVXIGQJ-ZFWWWQNUSA-N 1 0 303.406 0.883 10 0 DCAERO COC(=O)[C@@H]1C[C@H](OC)CN1CCCNC(=O)C(F)(F)F ZINC000180648241 416199480 /nfs/dbraw/zinc/19/94/80/416199480.db2.gz QNXHDKFZKIOSRN-IUCAKERBSA-N 1 0 312.288 0.317 10 0 DCAERO CN(C)c1ncc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000181280878 416204205 /nfs/dbraw/zinc/20/42/05/416204205.db2.gz QMVDZGQAXZVRAX-GFCCVEGCSA-N 1 0 308.386 0.337 10 0 DCAERO CCc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358192856 416209008 /nfs/dbraw/zinc/20/90/08/416209008.db2.gz HIVYMQKPUYSRPX-LBPRGKRZSA-N 1 0 304.437 0.655 10 0 DCAERO COCC(=O)N1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358191132 416209024 /nfs/dbraw/zinc/20/90/24/416209024.db2.gz NYQXTZLNIFCZRP-UHFFFAOYSA-N 1 0 324.425 0.139 10 0 DCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000182360841 416219984 /nfs/dbraw/zinc/21/99/84/416219984.db2.gz FLUXGSHIGVHDFY-FZMZJTMJSA-N 1 0 309.414 0.786 10 0 DCAERO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358329621 416223562 /nfs/dbraw/zinc/22/35/62/416223562.db2.gz WEQMRJADXBQMNF-LMRVLLHPSA-N 1 0 323.437 0.349 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178318095 416160528 /nfs/dbraw/zinc/16/05/28/416160528.db2.gz MLDVEQNBHBOUKC-CHWSQXEVSA-N 1 0 319.409 0.705 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000178274285 416160966 /nfs/dbraw/zinc/16/09/66/416160966.db2.gz BHNNGKVFAXWGRQ-UPJWGTAASA-N 1 0 319.409 0.704 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183742161 416250434 /nfs/dbraw/zinc/25/04/34/416250434.db2.gz OIQNGWQSVIXDEG-GFCCVEGCSA-N 1 0 322.331 0.878 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000186712694 416259315 /nfs/dbraw/zinc/25/93/15/416259315.db2.gz XANAWIZVSWGOJA-NWDGAFQWSA-N 1 0 322.409 0.355 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COC(C)(C)C ZINC000189419559 416266674 /nfs/dbraw/zinc/26/66/74/416266674.db2.gz VXYMXNLXQOJPEJ-KBPBESRZSA-N 1 0 302.459 0.939 10 0 DCAERO CCc1ccccc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190039489 416273229 /nfs/dbraw/zinc/27/32/29/416273229.db2.gz VSENHICBJAASDA-CYBMUJFWSA-N 1 0 319.405 0.713 10 0 DCAERO Cc1c(F)cccc1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000190037489 416274002 /nfs/dbraw/zinc/27/40/02/416274002.db2.gz SZBGHHBFKCGQPK-NSHDSACASA-N 1 0 323.368 0.598 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC(C)(C)C[NH+](C)C)C[C@@H](C)O1 ZINC000193205764 416314196 /nfs/dbraw/zinc/31/41/96/416314196.db2.gz BHRGPURYYLDLBN-VXGBXAGGSA-N 1 0 307.460 0.518 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H]3C[C@@H](O)C3(C)C)ccn2)CC1 ZINC000190694188 416281306 /nfs/dbraw/zinc/28/13/06/416281306.db2.gz SATSIDJHQSZRBD-UONOGXRCSA-N 1 0 318.421 0.723 10 0 DCAERO COCC[N@@H+]1CCN(Cc2nnnn2CC(F)(F)F)C[C@H]1C ZINC000190866311 416282942 /nfs/dbraw/zinc/28/29/42/416282942.db2.gz FLKBRGSVGVBRCC-SNVBAGLBSA-N 1 0 322.335 0.388 10 0 DCAERO CCOC(=O)CCCNC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191183907 416285009 /nfs/dbraw/zinc/28/50/09/416285009.db2.gz YOQLXSJPWHSZSI-VXGBXAGGSA-N 1 0 300.399 0.680 10 0 DCAERO CC[C@@H]1CN(C[C@@H](O)COCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000247393855 416332886 /nfs/dbraw/zinc/33/28/86/416332886.db2.gz XLRVFCSRYREKDE-BZUAXINKSA-N 1 0 302.459 0.797 10 0 DCAERO CC[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)CC[N@@H+]1C[C@H](C)O ZINC000248592651 416333733 /nfs/dbraw/zinc/33/37/33/416333733.db2.gz HKKYSNYKSZCIBM-NWDGAFQWSA-N 1 0 323.397 0.089 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000263248406 416337487 /nfs/dbraw/zinc/33/74/87/416337487.db2.gz POBHMCFJPUULNH-RULNRJAQSA-N 1 0 323.422 0.772 10 0 DCAERO CN(CCCO)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000359737092 416356263 /nfs/dbraw/zinc/35/62/63/416356263.db2.gz GHTXMBSOLWOAIV-UHFFFAOYSA-N 1 0 324.425 0.936 10 0 DCAERO CC(=O)N1CCCc2ccc(S(=O)(=O)NCCC[NH3+])cc21 ZINC000236816907 416328322 /nfs/dbraw/zinc/32/83/22/416328322.db2.gz GRPSOGZDNNIIHU-UHFFFAOYSA-N 1 0 311.407 0.613 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000237935547 416329261 /nfs/dbraw/zinc/32/92/61/416329261.db2.gz TXUVDIYPNCVTSB-HUUCEWRRSA-N 1 0 322.453 0.271 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000245416084 416331102 /nfs/dbraw/zinc/33/11/02/416331102.db2.gz DWPAJOHVOAETKH-MCIONIFRSA-N 1 0 310.442 0.138 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000245418780 416331195 /nfs/dbraw/zinc/33/11/95/416331195.db2.gz AOYGRTWAGAMKBJ-FQUUOJAGSA-N 1 0 317.455 0.509 10 0 DCAERO CN(C)c1cccnc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000360348820 416386811 /nfs/dbraw/zinc/38/68/11/416386811.db2.gz KYCTWWVHIOYVQR-UHFFFAOYSA-N 1 0 314.393 0.876 10 0 DCAERO Cc1noc(COCC(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)n1 ZINC000583619792 416479916 /nfs/dbraw/zinc/47/99/16/416479916.db2.gz IETFJMQUWPFXJW-BDAKNGLRSA-N 1 0 322.287 0.775 10 0 DCAERO COCC1(O)CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533934989 416491505 /nfs/dbraw/zinc/49/15/05/416491505.db2.gz DWZUVULGFQVUOP-UONOGXRCSA-N 1 0 303.399 0.016 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020968 416533271 /nfs/dbraw/zinc/53/32/71/416533271.db2.gz VAXLQZRBVWFGDO-WFASDCNBSA-N 1 0 303.410 0.697 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000435932401 416541323 /nfs/dbraw/zinc/54/13/23/416541323.db2.gz BMODUWUHFLPWQK-LBPRGKRZSA-N 1 0 321.425 0.892 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000435932399 416542432 /nfs/dbraw/zinc/54/24/32/416542432.db2.gz BMODUWUHFLPWQK-GFCCVEGCSA-N 1 0 321.425 0.892 10 0 DCAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458795108 416502249 /nfs/dbraw/zinc/50/22/49/416502249.db2.gz BZDXCZVNBKYBOE-OLZOCXBDSA-N 1 0 312.418 0.059 10 0 DCAERO C[C@H](CNC(=O)c1cccc2ncnn21)N1CC[NH+](C)CC1 ZINC000541080693 416602699 /nfs/dbraw/zinc/60/26/99/416602699.db2.gz HNWBMPJJEBNHAS-GFCCVEGCSA-N 1 0 302.382 0.095 10 0 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/nfs/dbraw/zinc/76/37/23/271763723.db2.gz QMMUJIXMQHXHNH-UHFFFAOYSA-N 1 0 313.361 0.682 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C[NH+]1CCCCC1 ZINC000457953001 271938154 /nfs/dbraw/zinc/93/81/54/271938154.db2.gz WXJVQTBWEXSNRS-ZIAGYGMSSA-N 1 0 324.429 0.060 10 0 DCAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000459280119 271989512 /nfs/dbraw/zinc/98/95/12/271989512.db2.gz BYOYGAJWPDSCKK-HUUCEWRRSA-N 1 0 310.442 0.444 10 0 DCAERO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)CC2 ZINC000459701790 272004647 /nfs/dbraw/zinc/00/46/47/272004647.db2.gz QOASKBSDNPVEPV-LSDHHAIUSA-N 1 0 302.378 0.795 10 0 DCAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699607 272004956 /nfs/dbraw/zinc/00/49/56/272004956.db2.gz OOFVROZVVKNQNY-PVAVHDDUSA-N 1 0 315.421 0.749 10 0 DCAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000494399071 272220394 /nfs/dbraw/zinc/22/03/94/272220394.db2.gz RTBNSZQJHKIKEC-ZDUSSCGKSA-N 1 0 302.415 0.342 10 0 DCAERO 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/nfs/dbraw/zinc/04/59/71/277045971.db2.gz CRYZJODTHHJCBW-ZIAGYGMSSA-N 1 0 317.455 0.259 10 0 DCAERO CC(=O)[C@](C)(O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000347733603 277100751 /nfs/dbraw/zinc/10/07/51/277100751.db2.gz GKCAHXFPPVOCMZ-YQQAZPJKSA-N 1 0 311.470 0.817 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)ncn3)[C@H]2C1 ZINC000330347915 277146883 /nfs/dbraw/zinc/14/68/83/277146883.db2.gz IGFAYNPDIKSEDO-ILXRZTDVSA-N 1 0 317.437 0.968 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246317239 277221008 /nfs/dbraw/zinc/22/10/08/277221008.db2.gz ZWSSDMWITKOAQD-RRFJBIMHSA-N 1 0 313.442 0.948 10 0 DCAERO C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173864525 277578622 /nfs/dbraw/zinc/57/86/22/277578622.db2.gz KOEVIFXODUPATD-LSDHHAIUSA-N 1 0 308.426 0.363 10 0 DCAERO CCC(=O)N1CC[C@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000546566820 288018656 /nfs/dbraw/zinc/01/86/56/288018656.db2.gz RIFGAHPZZGIZDY-AWEZNQCLSA-N 1 0 308.426 0.949 10 0 DCAERO 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523410282 /nfs/dbraw/zinc/41/02/82/523410282.db2.gz WUQQDEFJIXYZOA-CABCVRRESA-N 1 0 322.405 0.749 10 0 DCAERO CC[C@@H]1CN(C(=O)c2cnn3ccncc23)CC[N@@H+]1C[C@H](C)O ZINC000249101122 523429677 /nfs/dbraw/zinc/42/96/77/523429677.db2.gz NQJCEJWAFUVMAI-QWHCGFSZSA-N 1 0 317.393 0.647 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C(N)=O)cn1C ZINC000246202925 524615498 /nfs/dbraw/zinc/61/54/98/524615498.db2.gz RCSZCBHNWYDOPN-RYUDHWBXSA-N 1 0 306.410 0.974 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000130506414 525328496 /nfs/dbraw/zinc/32/84/96/525328496.db2.gz ITLUXJMMXGNMBG-QWHCGFSZSA-N 1 0 305.378 0.557 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[N@@H+]1C1CC1 ZINC000190184977 525434058 /nfs/dbraw/zinc/43/40/58/525434058.db2.gz CBCQMJBGXZTPSB-ZJUUUORDSA-N 1 0 313.361 0.673 10 0 DCAERO O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191350792 526458947 /nfs/dbraw/zinc/45/89/47/526458947.db2.gz PUZZRLJAGQVPCX-HIFRSBDPSA-N 1 0 300.362 0.881 10 0 DCAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000328622835 526493477 /nfs/dbraw/zinc/49/34/77/526493477.db2.gz BMOQNKKYPDXNSJ-JKSUJKDBSA-N 1 0 323.437 0.445 10 0 DCAERO [NH3+]C1(C(=O)N2CCC[C@H](n3cncn3)C2)Cc2ccccc2C1 ZINC000156381792 527126213 /nfs/dbraw/zinc/12/62/13/527126213.db2.gz BGHWFBJFMLHDMI-HNNXBMFYSA-N 1 0 311.389 0.938 10 0 DCAERO O=C(NCCCN1CC[NH2+]CC1)c1cccc(-n2cncn2)c1 ZINC000238036955 527668832 /nfs/dbraw/zinc/66/88/32/527668832.db2.gz SFXAGPSVIKBJMV-UHFFFAOYSA-N 1 0 314.393 0.292 10 0 DCAERO CC(C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000328603584 527735494 /nfs/dbraw/zinc/73/54/94/527735494.db2.gz GSNHZJJLCUMZAQ-CQSZACIVSA-N 1 0 319.453 0.831 10 0 DCAERO CC(C)OCCCNC(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178189695 527940983 /nfs/dbraw/zinc/94/09/83/527940983.db2.gz QPKOUPUDNHLCEO-AWEZNQCLSA-N 1 0 311.426 0.518 10 0 DCAERO CCOC(C)(C)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000187626802 528416898 /nfs/dbraw/zinc/41/68/98/528416898.db2.gz MUQRYJQNDLLTMY-CYBMUJFWSA-N 1 0 301.431 0.948 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000178764078 528889287 /nfs/dbraw/zinc/88/92/87/528889287.db2.gz MMTNJNBPCZHBQS-UHFFFAOYSA-N 1 0 307.398 0.834 10 0 DCAERO CCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000122015186 535354561 /nfs/dbraw/zinc/35/45/61/535354561.db2.gz NZFCTPNEUZLDGM-LBPRGKRZSA-N 1 0 317.455 0.689 10 0 DCAERO CCOC(=O)C1CCN(c2nc[nH+]c(NN(C)C)c2N)CC1 ZINC000040752470 535605062 /nfs/dbraw/zinc/60/50/62/535605062.db2.gz OURINEFIIXOMPQ-UHFFFAOYSA-N 1 0 308.386 0.727 10 0 DCAERO C[C@H](NC(=O)COCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000093232021 545725176 /nfs/dbraw/zinc/72/51/76/545725176.db2.gz ZACYFSAYHOSTNM-JTQLQIEISA-N 1 0 300.380 0.243 10 0 DCAERO O=S(=O)(CC[C@H]1CCCO1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158951377 545858192 /nfs/dbraw/zinc/85/81/92/545858192.db2.gz FUYSNSPFSLXYHR-UONOGXRCSA-N 1 0 320.455 0.322 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)C(C)C ZINC000183634655 545908801 /nfs/dbraw/zinc/90/88/01/545908801.db2.gz OGSIEYZYAZJXFF-XJKSGUPXSA-N 1 0 319.405 0.987 10 0 DCAERO CCOc1cnc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000189935903 545922471 /nfs/dbraw/zinc/92/24/71/545922471.db2.gz YCMVAHDMQIHOGB-OCCSQVGLSA-N 1 0 320.393 0.668 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000245424851 545961348 /nfs/dbraw/zinc/96/13/48/545961348.db2.gz DBLFRCZBCPIONG-QWHCGFSZSA-N 1 0 317.455 0.353 10 0 DCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCO2)c1 ZINC000261674678 545976838 /nfs/dbraw/zinc/97/68/38/545976838.db2.gz GHLUDLQEUWIOSN-QLFBSQMISA-N 1 0 306.410 0.794 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000261708548 545977047 /nfs/dbraw/zinc/97/70/47/545977047.db2.gz IZWRAMOBDWJCSI-ZIAGYGMSSA-N 1 0 303.410 0.890 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccccc1F ZINC000262080212 545978737 /nfs/dbraw/zinc/97/87/37/545978737.db2.gz CIGTWXASUPXXLR-ZANVPECISA-N 1 0 304.325 0.526 10 0 DCAERO Cc1ccccc1-n1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262138872 545979237 /nfs/dbraw/zinc/97/92/37/545979237.db2.gz HAMNRGNAOJCEHP-SWLSCSKDSA-N 1 0 300.362 0.491 10 0 DCAERO COc1ccc(CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000262237039 545981305 /nfs/dbraw/zinc/98/13/05/545981305.db2.gz KRIMZSDSSCJBIB-WCQYABFASA-N 1 0 312.797 0.978 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000262218874 545981329 /nfs/dbraw/zinc/98/13/29/545981329.db2.gz JJRGVXQXEVEEPO-OCCSQVGLSA-N 1 0 303.362 0.345 10 0 DCAERO Cc1ccc(C)c(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262289298 545982695 /nfs/dbraw/zinc/98/26/95/545982695.db2.gz ONICOPGDAQCHIS-XJKSGUPXSA-N 1 0 304.390 0.963 10 0 DCAERO COc1ccc2c(c1)C=C(C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)CO2 ZINC000262309009 545982964 /nfs/dbraw/zinc/98/29/64/545982964.db2.gz QIIHMUXKHBNQFC-OCCSQVGLSA-N 1 0 304.346 0.168 10 0 DCAERO O=C(CCc1ccc(OC(F)F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262327700 545983735 /nfs/dbraw/zinc/98/37/35/545983735.db2.gz RXXSXNWBWZBNKR-YPMHNXCESA-N 1 0 314.332 0.917 10 0 DCAERO C[C@@H](Cn1cncn1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332790261 546060956 /nfs/dbraw/zinc/06/09/56/546060956.db2.gz WFIZUZRTZZOTOZ-KBPBESRZSA-N 1 0 306.414 0.936 10 0 DCAERO O=C(NCCN1CC[NH2+]CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333470506 546082538 /nfs/dbraw/zinc/08/25/38/546082538.db2.gz ARUQUCXKIDTXQC-GOEBONIOSA-N 1 0 310.442 0.228 10 0 DCAERO CS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000401711319 546224687 /nfs/dbraw/zinc/22/46/87/546224687.db2.gz IFUXZDQOZRKMAX-SECBINFHSA-N 1 0 310.297 0.710 10 0 DCAERO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nn1C ZINC000889070527 657492134 /nfs/dbraw/zinc/49/21/34/657492134.db2.gz RQGURNSKYIHKEN-MNOVXSKESA-N 1 0 321.381 0.907 10 0 DCAERO Cc1sc(C)c(S(=O)(=O)NCCN2CC[NH2+]CC2)c1C ZINC000722599145 657517839 /nfs/dbraw/zinc/51/78/39/657517839.db2.gz JCXMVMNTPXJNIL-UHFFFAOYSA-N 1 0 317.480 0.857 10 0 DCAERO C[C@](O)(C[NH+]1C[C@@H](CO)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000724073804 657938021 /nfs/dbraw/zinc/93/80/21/657938021.db2.gz NBJWZNZSITYFTG-CIUDSAMLSA-N 1 0 307.259 0.468 10 0 DCAERO O=S(=O)(CC1CC[NH2+]CC1)N[C@H](CCO)C1CCCC1 ZINC000725121535 658192198 /nfs/dbraw/zinc/19/21/98/658192198.db2.gz ALSMNAPZBVHOHP-CQSZACIVSA-N 1 0 304.456 0.847 10 0 DCAERO CC(=O)N[C@@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719455 658563035 /nfs/dbraw/zinc/56/30/35/658563035.db2.gz QQMDNGMLHNGQPX-CQSZACIVSA-N 1 0 309.410 0.574 10 0 DCAERO O=C([C@H]1CCC[NH2+]1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178774200 661550449 /nfs/dbraw/zinc/55/04/49/661550449.db2.gz VUAGUTQDYBMOMC-HZPDHXFCSA-N 1 0 303.406 0.616 10 0 DCAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]([NH3+])C3CCOCC3)C2)no1 ZINC000261815889 661722215 /nfs/dbraw/zinc/72/22/15/661722215.db2.gz PCVXOFPQBOOYGH-DOMZBBRYSA-N 1 0 322.409 0.913 10 0 DCAERO Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])C3CCOCC3)C2)no1 ZINC000261815896 661722539 /nfs/dbraw/zinc/72/25/39/661722539.db2.gz PCVXOFPQBOOYGH-WFASDCNBSA-N 1 0 322.409 0.913 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361708476 665803145 /nfs/dbraw/zinc/80/31/45/665803145.db2.gz ZJYPKVALMOKBGH-MGPQQGTHSA-N 1 0 311.451 0.851 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cn4c(n3)CCCC4)C[C@H]12 ZINC000261994047 661947936 /nfs/dbraw/zinc/94/79/36/661947936.db2.gz FHDBLVOAMJFXAH-GRYCIOLGSA-N 1 0 310.423 0.577 10 0 DCAERO COCCS(=O)(=O)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262134585 662103334 /nfs/dbraw/zinc/10/33/34/662103334.db2.gz YNVDIKXWNGYOIQ-UHFFFAOYSA-N 1 0 311.363 0.757 10 0 DCAERO COC(=O)N1CCC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000729612660 662905259 /nfs/dbraw/zinc/90/52/59/662905259.db2.gz ZWGXCQINVRIPLG-ZDUSSCGKSA-N 1 0 321.381 0.445 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250939214 663139769 /nfs/dbraw/zinc/13/97/69/663139769.db2.gz ICLAEGCBRJIFLR-AVGNSLFASA-N 1 0 317.455 0.292 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900712322 663274567 /nfs/dbraw/zinc/27/45/67/663274567.db2.gz XQFVBQFIRSMEQX-HBJVGIJOSA-N 1 0 305.382 0.283 10 0 DCAERO CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]21 ZINC000908108662 663734076 /nfs/dbraw/zinc/73/40/76/663734076.db2.gz HNUALEYHVCJSKH-MQYQWHSLSA-N 1 0 306.410 0.628 10 0 DCAERO Cc1ccc2nnc(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2c1 ZINC000911075087 663979776 /nfs/dbraw/zinc/97/97/76/663979776.db2.gz MMSIXFVBTPAZMO-STQMWFEESA-N 1 0 315.377 0.517 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223176492 664403492 /nfs/dbraw/zinc/40/34/92/664403492.db2.gz CZENFICNOXSNHV-LLVKDONJSA-N 1 0 321.377 0.043 10 0 DCAERO Cc1nn(CN2CCO[C@@H](C[NH+](C)C)C2)c(=O)c2ccccc12 ZINC000152990879 664787292 /nfs/dbraw/zinc/78/72/92/664787292.db2.gz UQKBKFJSYZZKNS-AWEZNQCLSA-N 1 0 316.405 0.925 10 0 DCAERO CC[S@@](=O)CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000741422206 664838399 /nfs/dbraw/zinc/83/83/99/664838399.db2.gz UGIDASCHDCYRAI-OAQYLSRUSA-N 1 0 319.471 0.243 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452171742 666239464 /nfs/dbraw/zinc/23/94/64/666239464.db2.gz RQPBCHFMSDMKIC-RISCZKNCSA-N 1 0 311.451 0.851 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000186675070 666575348 /nfs/dbraw/zinc/57/53/48/666575348.db2.gz GHTDQEQCWAUQLJ-FZMZJTMJSA-N 1 0 302.378 0.944 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000186675100 666575536 /nfs/dbraw/zinc/57/55/36/666575536.db2.gz GHTDQEQCWAUQLJ-SMDDNHRTSA-N 1 0 302.378 0.944 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700958901 666782031 /nfs/dbraw/zinc/78/20/31/666782031.db2.gz VWTKQLLEDZOXFY-GARJFASQSA-N 1 0 306.453 0.150 10 0 DCAERO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702843253 667009869 /nfs/dbraw/zinc/00/98/69/667009869.db2.gz CRQDMYUQINJTEA-ZYHUDNBSSA-N 1 0 311.386 0.133 10 0 DCAERO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702844052 667009995 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C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000339964799 253171126 /nfs/dbraw/zinc/17/11/26/253171126.db2.gz LZGYNRCYCVHVJM-RYUDHWBXSA-N 1 0 309.410 0.365 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000332718015 285231113 /nfs/dbraw/zinc/23/11/13/285231113.db2.gz IVHQXEUGAHGDNJ-CHWSQXEVSA-N 1 0 308.426 0.971 10 0 DCAERO C[NH+](C)CC(=O)N1Cc2cncn2[C@@H](COc2ccccn2)C1 ZINC000248063396 257110330 /nfs/dbraw/zinc/11/03/30/257110330.db2.gz ZKWPXFPKOFKOJA-CQSZACIVSA-N 1 0 315.377 0.802 10 0 DCAERO CCOCC(=O)N1CCn2c(CN3CC[NH+](C)CC3)cnc2C1 ZINC000248010291 257112002 /nfs/dbraw/zinc/11/20/02/257112002.db2.gz DLQUHBOHWHIGEI-UHFFFAOYSA-N 1 0 321.425 0.009 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000262257262 285386330 /nfs/dbraw/zinc/38/63/30/285386330.db2.gz JCQCUCFUYLPUPI-IHRRRGAJSA-N 1 0 313.348 0.800 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)C[N@@H+]1C1CC1 ZINC000187489496 533623796 /nfs/dbraw/zinc/62/37/96/533623796.db2.gz HPAITEYHWKLMHZ-MWLCHTKSSA-N 1 0 306.366 0.803 10 0 DCAERO Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000275699417 130367284 /nfs/dbraw/zinc/36/72/84/130367284.db2.gz JKGPZSRWIBOGOR-UONOGXRCSA-N 1 0 319.405 0.948 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccn(C)c1=O ZINC000086449417 395703832 /nfs/dbraw/zinc/70/38/32/395703832.db2.gz RBIHLDGVJNCKNP-GFCCVEGCSA-N 1 0 322.409 0.416 10 0 DCAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089684447 395713620 /nfs/dbraw/zinc/71/36/20/395713620.db2.gz PTETWAAHVNEPLY-LLVKDONJSA-N 1 0 324.402 0.890 10 0 DCAERO C[C@](O)(CO)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000090288609 395718438 /nfs/dbraw/zinc/71/84/38/395718438.db2.gz MEKLYXQJQSGWAX-ZIAGYGMSSA-N 1 0 303.786 0.550 10 0 DCAERO CC1(C)O[C@H]2[C@@H](OCc3ccccc3)O[C@H]([C@H]([NH3+])CO)[C@@H]2O1 ZINC000035636441 395721318 /nfs/dbraw/zinc/72/13/18/395721318.db2.gz ANHILBIEGHGLGI-QMIVOQANSA-N 1 0 309.362 0.768 10 0 in-vitro DCAERO CNC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1 ZINC000036267430 395722966 /nfs/dbraw/zinc/72/29/66/395722966.db2.gz BSNALMJXDHQTCS-UHFFFAOYSA-N 1 0 311.407 0.467 10 0 DCAERO CCOC(=O)C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701130 395739152 /nfs/dbraw/zinc/73/91/52/395739152.db2.gz VACVZYNHBVRSGK-CYBMUJFWSA-N 1 0 320.455 0.932 10 0 DCAERO C=Cn1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076271 395787777 /nfs/dbraw/zinc/78/77/77/395787777.db2.gz DYEQDWQLLGSAMN-CQSZACIVSA-N 1 0 310.423 0.984 10 0 DCAERO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000045072654 395761403 /nfs/dbraw/zinc/76/14/03/395761403.db2.gz SCVWNGOWFSUDCO-NSHDSACASA-N 1 0 313.423 0.901 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)NCC(=O)NCc2ccco2)C1 ZINC000045160526 395761671 /nfs/dbraw/zinc/76/16/71/395761671.db2.gz QURNOXAGTIFOMR-ZDUSSCGKSA-N 1 0 322.409 0.927 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000108332864 395789250 /nfs/dbraw/zinc/78/92/50/395789250.db2.gz UAPLMSVVUHLKAD-CYBMUJFWSA-N 1 0 314.389 0.855 10 0 DCAERO Cc1cccc(CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000111229594 395803198 /nfs/dbraw/zinc/80/31/98/395803198.db2.gz XYGYKISBORCKRP-INIZCTEOSA-N 1 0 305.422 0.874 10 0 DCAERO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000111621962 395810398 /nfs/dbraw/zinc/81/03/98/395810398.db2.gz ULYQAHGLZSVLKN-GJZGRUSLSA-N 1 0 306.410 0.822 10 0 DCAERO NC(=O)N1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000111687155 395812014 /nfs/dbraw/zinc/81/20/14/395812014.db2.gz RATKRHHGRDBPDW-HNNXBMFYSA-N 1 0 307.394 0.651 10 0 DCAERO O=C(Cc1nc2ncccn2n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195058324 395815040 /nfs/dbraw/zinc/81/50/40/395815040.db2.gz WKJHEQQVTYCOQY-GFCCVEGCSA-N 1 0 300.366 0.364 10 0 DCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000195182250 395819982 /nfs/dbraw/zinc/81/99/82/395819982.db2.gz HRAPRWBQZXPJQK-ARFHVFGLSA-N 1 0 300.443 0.817 10 0 DCAERO Cc1ccn2c(c1)ncc(C(=O)N1CC[N@@H+]3CCC[C@H]3C1)c2=O ZINC000195332602 395825660 /nfs/dbraw/zinc/82/56/60/395825660.db2.gz GCMQJVHXWBUPAJ-ZDUSSCGKSA-N 1 0 312.373 0.923 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1OCC(N)=O ZINC000113230561 395828802 /nfs/dbraw/zinc/82/88/02/395828802.db2.gz CBIPEPYOSYCCSP-QWHCGFSZSA-N 1 0 317.389 0.859 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1nc2ccccn2c1=O ZINC000113227280 395828823 /nfs/dbraw/zinc/82/88/23/395828823.db2.gz HYDUNRPTXGGZFS-QWHCGFSZSA-N 1 0 315.377 0.191 10 0 DCAERO CCCNC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508367 395830899 /nfs/dbraw/zinc/83/08/99/395830899.db2.gz MODGOLZURYRAGN-CYBMUJFWSA-N 1 0 308.426 0.970 10 0 DCAERO Cc1[nH]nc2ncc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc12 ZINC000116795417 395846168 /nfs/dbraw/zinc/84/61/68/395846168.db2.gz TVANGHXCTIBZJJ-GFCCVEGCSA-N 1 0 303.366 0.669 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833176 395847037 /nfs/dbraw/zinc/84/70/37/395847037.db2.gz LITHBAPKZUIEDB-RYUDHWBXSA-N 1 0 303.428 0.011 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCOCC2)CC1 ZINC000108560369 395791528 /nfs/dbraw/zinc/79/15/28/395791528.db2.gz XXRYKXVSJLQPMN-INIZCTEOSA-N 1 0 324.469 0.977 10 0 DCAERO Cc1nc(NCC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000235944762 395893723 /nfs/dbraw/zinc/89/37/23/395893723.db2.gz TVMNJPZOXFAQTP-UHFFFAOYSA-N 1 0 313.199 0.996 10 0 DCAERO CN(CC(=O)NCCC[NH3+])C(=O)c1ccc(Br)o1 ZINC000237056570 395901467 /nfs/dbraw/zinc/90/14/67/395901467.db2.gz GFQFWJWBVZVFBU-UHFFFAOYSA-N 1 0 318.171 0.579 10 0 DCAERO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncnc2nc[nH]c21 ZINC000237053990 395901547 /nfs/dbraw/zinc/90/15/47/395901547.db2.gz FNKUVGNQOBDUHG-ZACCUICWSA-N 1 0 315.381 0.188 10 0 DCAERO NC(=O)COc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000124847453 395901899 /nfs/dbraw/zinc/90/18/99/395901899.db2.gz MJNVSVJTGUQFJP-UHFFFAOYSA-N 1 0 303.362 0.471 10 0 DCAERO CCNC(=O)CN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000125917558 395907482 /nfs/dbraw/zinc/90/74/82/395907482.db2.gz ITXGFCILACSRDR-CYBMUJFWSA-N 1 0 314.430 0.265 10 0 DCAERO COc1ccc(O[C@H](C)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000237308246 395909696 /nfs/dbraw/zinc/90/96/96/395909696.db2.gz RKJLIDMHEJYVDV-CYBMUJFWSA-N 1 0 307.394 0.484 10 0 DCAERO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237480645 395913338 /nfs/dbraw/zinc/91/33/38/395913338.db2.gz CSJCUOMFNZSLPD-QMVSFRDZSA-N 1 0 314.451 0.941 10 0 DCAERO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000127120064 395914946 /nfs/dbraw/zinc/91/49/46/395914946.db2.gz DLOXTJMSQRTYIU-UHFFFAOYSA-N 1 0 314.407 0.632 10 0 DCAERO O=C(Cc1ccc(-n2cnnn2)cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000238121938 395922177 /nfs/dbraw/zinc/92/21/77/395922177.db2.gz PQMIIIHONIVCAP-CQSZACIVSA-N 1 0 314.393 0.711 10 0 DCAERO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000130698411 395923354 /nfs/dbraw/zinc/92/33/54/395923354.db2.gz IFNNGQJFDLQDQK-WCQYABFASA-N 1 0 313.423 0.343 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000245740706 395935184 /nfs/dbraw/zinc/93/51/84/395935184.db2.gz GEAVVZQGYWTVOP-NEPJUHHUSA-N 1 0 321.381 0.757 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000246283729 395945992 /nfs/dbraw/zinc/94/59/92/395945992.db2.gz APEUGZXHFJNKIM-CVEARBPZSA-N 1 0 309.454 0.897 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246306313 395947225 /nfs/dbraw/zinc/94/72/25/395947225.db2.gz FTRPJZRCJIZDCN-NEPJUHHUSA-N 1 0 304.412 0.438 10 0 DCAERO CN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246483973 395950634 /nfs/dbraw/zinc/95/06/34/395950634.db2.gz OVFAOKZJTKYAHU-ZNMIVQPWSA-N 1 0 322.453 0.187 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000246503568 395951423 /nfs/dbraw/zinc/95/14/23/395951423.db2.gz SSZFJPCBKDEQFF-ZIAGYGMSSA-N 1 0 308.382 0.637 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)[nH]n2)CC1=O ZINC000246815303 395958826 /nfs/dbraw/zinc/95/88/26/395958826.db2.gz CHARXWQLEGFODI-QWHCGFSZSA-N 1 0 319.409 0.989 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000248915900 396000294 /nfs/dbraw/zinc/00/02/94/396000294.db2.gz JWPBMRHYOMVQON-DGAVXFQQSA-N 1 0 302.440 0.910 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCOCC1 ZINC000247301248 395971769 /nfs/dbraw/zinc/97/17/69/395971769.db2.gz UTFWBQKLLXNPSI-PMPSAXMXSA-N 1 0 324.469 0.833 10 0 DCAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247402593 395973376 /nfs/dbraw/zinc/97/33/76/395973376.db2.gz PMSNBVWADMSSSE-MFKMUULPSA-N 1 0 304.394 0.915 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247472767 395974368 /nfs/dbraw/zinc/97/43/68/395974368.db2.gz RVNDBLGBMFZUCV-GRYCIOLGSA-N 1 0 303.428 0.298 10 0 DCAERO CSCCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150899711 395974675 /nfs/dbraw/zinc/97/46/75/395974675.db2.gz UBMLSVLWPXEJFO-UHFFFAOYSA-N 1 0 313.427 0.253 10 0 DCAERO Cn1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1=O ZINC000247975359 395981285 /nfs/dbraw/zinc/98/12/85/395981285.db2.gz GFKCGSOKMKBYHW-CJNGLKHVSA-N 1 0 312.373 0.956 10 0 DCAERO OC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000248387681 395985061 /nfs/dbraw/zinc/98/50/61/395985061.db2.gz BRKFUMJFTLTYSI-ZNMIVQPWSA-N 1 0 315.797 0.645 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000248423202 395986910 /nfs/dbraw/zinc/98/69/10/395986910.db2.gz DSMIJCJRPOIBAC-STQMWFEESA-N 1 0 319.409 0.623 10 0 DCAERO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@H]1CCOC1=O ZINC000276231084 395989402 /nfs/dbraw/zinc/98/94/02/395989402.db2.gz DZONTRYUZZNNQQ-AVGNSLFASA-N 1 0 310.373 0.580 10 0 DCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000248640378 395992371 /nfs/dbraw/zinc/99/23/71/395992371.db2.gz BZJRKMXOGHOXHK-CHWSQXEVSA-N 1 0 308.444 0.178 10 0 DCAERO CN(C)S(=O)(=O)Nc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000253390171 396026063 /nfs/dbraw/zinc/02/60/63/396026063.db2.gz ANVRBUCMBZAKBD-UHFFFAOYSA-N 1 0 300.384 0.431 10 0 DCAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000253377137 396026178 /nfs/dbraw/zinc/02/61/78/396026178.db2.gz WCTZXMDMWHVHMT-UONOGXRCSA-N 1 0 311.426 0.472 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000261596951 396048129 /nfs/dbraw/zinc/04/81/29/396048129.db2.gz AJXPPXHVMNSDAV-UHFFFAOYSA-N 1 0 301.390 0.679 10 0 DCAERO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261712391 396058683 /nfs/dbraw/zinc/05/86/83/396058683.db2.gz GISLSVZDEYXSET-UPJWGTAASA-N 1 0 305.378 0.856 10 0 DCAERO Cc1ccc(C(=O)NCCNC(=O)C2([NH3+])CCOCC2)cc1F ZINC000261744126 396061285 /nfs/dbraw/zinc/06/12/85/396061285.db2.gz DWWYPURNSRZZES-UHFFFAOYSA-N 1 0 323.368 0.488 10 0 DCAERO C[C@@H](NC(=O)CN(CC[NH3+])CCc1ccccc1)C(=O)N(C)C ZINC000261754244 396062110 /nfs/dbraw/zinc/06/21/10/396062110.db2.gz MEIQPDRFVKVHBP-CQSZACIVSA-N 1 0 320.437 0.083 10 0 DCAERO CC(C)C[C@H](CO)[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249467548 396008769 /nfs/dbraw/zinc/00/87/69/396008769.db2.gz SRRQRHKMBFSBLF-ZIAGYGMSSA-N 1 0 306.472 0.997 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1nccc2ccccc21 ZINC000261837949 396070947 /nfs/dbraw/zinc/07/09/47/396070947.db2.gz YIWDZPGXXHZNRD-UHFFFAOYSA-N 1 0 312.373 0.739 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000261996431 396088222 /nfs/dbraw/zinc/08/82/22/396088222.db2.gz PODNCPJXHULWJD-STQMWFEESA-N 1 0 303.362 0.447 10 0 DCAERO CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170845230 396098451 /nfs/dbraw/zinc/09/84/51/396098451.db2.gz KECYXVREBCKUJJ-CQSZACIVSA-N 1 0 318.377 0.746 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170873681 396099618 /nfs/dbraw/zinc/09/96/18/396099618.db2.gz RRTVDYCCVCNEEY-GFCCVEGCSA-N 1 0 311.407 0.371 10 0 DCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000170873441 396099678 /nfs/dbraw/zinc/09/96/78/396099678.db2.gz KTUFGTGFOBFENC-NSHDSACASA-N 1 0 312.391 0.782 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)cc12 ZINC000170873525 396099897 /nfs/dbraw/zinc/09/98/97/396099897.db2.gz CXLMIOSTTDIIAH-LLVKDONJSA-N 1 0 323.422 0.601 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000071413145 396113297 /nfs/dbraw/zinc/11/32/97/396113297.db2.gz LCUKWTODNOQDLT-PWSUYJOCSA-N 1 0 312.391 0.734 10 0 DCAERO NC(=O)NC(=O)CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171552930 396118618 /nfs/dbraw/zinc/11/86/18/396118618.db2.gz SVZUGIUVCXXYEB-UHFFFAOYSA-N 1 0 306.370 0.328 10 0 DCAERO CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)[C@@H]([NH3+])COC)cc1 ZINC000262298681 396119658 /nfs/dbraw/zinc/11/96/58/396119658.db2.gz ZRDYFWIWNRGCFE-WFASDCNBSA-N 1 0 321.421 0.988 10 0 DCAERO O=C(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Nc1cccc2ccccc21 ZINC000262397821 396135637 /nfs/dbraw/zinc/13/56/37/396135637.db2.gz NSCZKFVUOVDVGR-IUODEOHRSA-N 1 0 313.357 0.617 10 0 DCAERO Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)n1 ZINC000261884816 396075688 /nfs/dbraw/zinc/07/56/88/396075688.db2.gz UXLMRMPIPJXPFI-CABCVRRESA-N 1 0 318.421 0.981 10 0 DCAERO C[C@H](N1CCN(C(=O)C2([NH3+])CCOCC2)CC1)C(F)(F)F ZINC000261921112 396079750 /nfs/dbraw/zinc/07/97/50/396079750.db2.gz UYPXDHJXLYQQQM-JTQLQIEISA-N 1 0 309.332 0.589 10 0 DCAERO CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261924994 396080317 /nfs/dbraw/zinc/08/03/17/396080317.db2.gz ZDIMAUDQIVLDRC-KBPBESRZSA-N 1 0 311.426 0.505 10 0 DCAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccco1 ZINC000261923404 396080401 /nfs/dbraw/zinc/08/04/01/396080401.db2.gz KQVAGUOHNVRJFN-MGPQQGTHSA-N 1 0 307.394 0.756 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CC34CC[NH2+]CC4)C2)cn1 ZINC000261929142 396080426 /nfs/dbraw/zinc/08/04/26/396080426.db2.gz KSOBKROCIYXGPW-DZGCQCFKSA-N 1 0 317.437 0.895 10 0 DCAERO [NH3+]C1(C(=O)NCCNC(=O)CC2CCCCC2)CCOCC1 ZINC000261933262 396080652 /nfs/dbraw/zinc/08/06/52/396080652.db2.gz WOAOEWTWJPPCJW-UHFFFAOYSA-N 1 0 311.426 0.697 10 0 DCAERO CN1C[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CCC1=O ZINC000162873455 396083712 /nfs/dbraw/zinc/08/37/12/396083712.db2.gz AKPURWGJNRZPIM-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(NC(N)=O)c2)n1 ZINC000263183066 396205135 /nfs/dbraw/zinc/20/51/35/396205135.db2.gz GYBXCMWNFBHCCN-LLVKDONJSA-N 1 0 302.338 0.803 10 0 DCAERO CN(Cc1nc([C@H]2C[NH2+]CCN2C)no1)C(=O)c1cccs1 ZINC000263232516 396207858 /nfs/dbraw/zinc/20/78/58/396207858.db2.gz NPCUMDBZWHSYIF-SNVBAGLBSA-N 1 0 321.406 0.979 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000175979255 396148273 /nfs/dbraw/zinc/14/82/73/396148273.db2.gz HGASXOZQCAESGN-ZDUSSCGKSA-N 1 0 305.378 0.717 10 0 DCAERO O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262530832 396151718 /nfs/dbraw/zinc/15/17/18/396151718.db2.gz NJHKOPDQCSUSRO-XQQFMLRXSA-N 1 0 315.439 0.059 10 0 DCAERO Cc1ccc(OC(F)F)c(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262533544 396151857 /nfs/dbraw/zinc/15/18/57/396151857.db2.gz QAIDRDKQNIEFKH-QWRGUYRKSA-N 1 0 300.305 0.935 10 0 DCAERO CNC(=O)Cn1ccc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000262545689 396153154 /nfs/dbraw/zinc/15/31/54/396153154.db2.gz RXEFBCRMCXSWJM-OLZOCXBDSA-N 1 0 316.361 0.049 10 0 DCAERO COC[C@](C)(CCO)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000176386886 396154590 /nfs/dbraw/zinc/15/45/90/396154590.db2.gz OOFSLZYOYUFFGT-DOMZBBRYSA-N 1 0 301.358 0.943 10 0 DCAERO Cn1nc(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2c1=O ZINC000262565940 396156011 /nfs/dbraw/zinc/15/60/11/396156011.db2.gz DBPQRDQZFHSOKP-BXUZGUMPSA-N 1 0 314.389 0.720 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000176756982 396159726 /nfs/dbraw/zinc/15/97/26/396159726.db2.gz WBOMVNNNJOULCP-LBPRGKRZSA-N 1 0 307.394 0.853 10 0 DCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000262628714 396164168 /nfs/dbraw/zinc/16/41/68/396164168.db2.gz RUXJEUHKAGACBU-QWRGUYRKSA-N 1 0 301.346 0.526 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(=O)n(CCOC)n1 ZINC000176998015 396164511 /nfs/dbraw/zinc/16/45/11/396164511.db2.gz VQQBGBNHIQHAKE-ZDUSSCGKSA-N 1 0 322.409 0.446 10 0 DCAERO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262669800 396170792 /nfs/dbraw/zinc/17/07/92/396170792.db2.gz MSQADMZXUVHZQY-MCIONIFRSA-N 1 0 322.453 0.315 10 0 DCAERO O=C(NCCSCCCO)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262698098 396173846 /nfs/dbraw/zinc/17/38/46/396173846.db2.gz BOIZFDGLKQGICC-LBPRGKRZSA-N 1 0 312.439 0.653 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262744235 396177696 /nfs/dbraw/zinc/17/76/96/396177696.db2.gz DDFQRLSTTXDEGY-GXFFZTMASA-N 1 0 311.407 0.323 10 0 DCAERO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262745975 396178465 /nfs/dbraw/zinc/17/84/65/396178465.db2.gz DVJQZLRJSIFTTH-CMPLNLGQSA-N 1 0 314.407 0.980 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000177677223 396181101 /nfs/dbraw/zinc/18/11/01/396181101.db2.gz ZDNLNALAJOMUMW-GFCCVEGCSA-N 1 0 323.368 0.862 10 0 DCAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)CN1CCOCC1 ZINC000263291939 396211747 /nfs/dbraw/zinc/21/17/47/396211747.db2.gz WOYNQYBXPYUFAT-WCVJEAGWSA-N 1 0 309.454 0.992 10 0 DCAERO COc1cc(OC)c(CNC(=O)C[C@@H](C[NH3+])OC)c(OC)c1 ZINC000262859823 396188738 /nfs/dbraw/zinc/18/87/38/396188738.db2.gz LBZKQLWNIIKTAZ-NSHDSACASA-N 1 0 312.366 0.692 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181940974 396243737 /nfs/dbraw/zinc/24/37/37/396243737.db2.gz PLHFCMMMDHATTM-CYBMUJFWSA-N 1 0 313.442 0.860 10 0 DCAERO CCc1nnc2ccc(N3CC[NH+]([C@@H](CC)CO)CC3)nn21 ZINC000078523321 396246460 /nfs/dbraw/zinc/24/64/60/396246460.db2.gz JQCIBHBJAKTFFY-LBPRGKRZSA-N 1 0 304.398 0.580 10 0 DCAERO COc1c2cnn(C)c2ncc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000182393805 396249657 /nfs/dbraw/zinc/24/96/57/396249657.db2.gz RAWHUWRKEJSPLZ-JTQLQIEISA-N 1 0 303.366 0.801 10 0 DCAERO CCc1cnccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182509063 396251662 /nfs/dbraw/zinc/25/16/62/396251662.db2.gz ALDAWZKWAQKFCA-UHFFFAOYSA-N 1 0 304.394 0.490 10 0 DCAERO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1C[NH2+]C1 ZINC000263317354 396213372 /nfs/dbraw/zinc/21/33/72/396213372.db2.gz QOAGOPQTRIWDFO-NSHDSACASA-N 1 0 312.753 0.480 10 0 DCAERO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1C[NH2+]C1 ZINC000263317343 396213682 /nfs/dbraw/zinc/21/36/82/396213682.db2.gz QOAGOPQTRIWDFO-LLVKDONJSA-N 1 0 312.753 0.480 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CCNC(=O)c2ccsc2)n1 ZINC000263317124 396213803 /nfs/dbraw/zinc/21/38/03/396213803.db2.gz ZQAQLGLCZNKYSP-NSHDSACASA-N 1 0 321.406 0.680 10 0 DCAERO Cn1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000077720516 396230318 /nfs/dbraw/zinc/23/03/18/396230318.db2.gz YFOSHYQJYVVBFE-UHFFFAOYSA-N 1 0 305.382 0.445 10 0 DCAERO CCn1cnc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC000080735227 396284922 /nfs/dbraw/zinc/28/49/22/396284922.db2.gz XFEOUGVZMMYDSA-GFCCVEGCSA-N 1 0 300.428 0.913 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000184682871 396301464 /nfs/dbraw/zinc/30/14/64/396301464.db2.gz YOTBAHKUPYCITD-CQSZACIVSA-N 1 0 300.447 0.426 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCCS(C)(=O)=O ZINC000184670919 396301725 /nfs/dbraw/zinc/30/17/25/396301725.db2.gz LFVQGGYQAVIQSK-LBPRGKRZSA-N 1 0 305.444 0.595 10 0 DCAERO CN1CCO[C@H](C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000185925329 396337151 /nfs/dbraw/zinc/33/71/51/396337151.db2.gz JBYSCQQDKXZXCZ-KGLIPLIRSA-N 1 0 311.813 0.657 10 0 DCAERO CCO[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C12CCOCC2 ZINC000186223400 396345711 /nfs/dbraw/zinc/34/57/11/396345711.db2.gz RFBYIGWFKPXUNC-STQMWFEESA-N 1 0 320.455 0.490 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000186339781 396348314 /nfs/dbraw/zinc/34/83/14/396348314.db2.gz JGWMFEPYAOVIHO-NSHDSACASA-N 1 0 304.354 0.293 10 0 DCAERO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)O1 ZINC000186488957 396350620 /nfs/dbraw/zinc/35/06/20/396350620.db2.gz WKRBPDDWBVXUGN-KBPBESRZSA-N 1 0 305.378 0.511 10 0 DCAERO O=C([C@H]1CCC[N@@H+](CCOCC(F)F)C1)N1CCOCC1 ZINC000188651409 396384369 /nfs/dbraw/zinc/38/43/69/396384369.db2.gz WQCJVEBCHHJFOK-LBPRGKRZSA-N 1 0 306.353 0.839 10 0 DCAERO CC[N@H+](CCNC(=O)N1CC(NC(=O)C2CCC2)C1)C1CC1 ZINC000188835299 396387108 /nfs/dbraw/zinc/38/71/08/396387108.db2.gz QTXXIYCUVHUCKR-UHFFFAOYSA-N 1 0 308.426 0.781 10 0 DCAERO C[C@@H]1C(=O)NCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000189341670 396394224 /nfs/dbraw/zinc/39/42/24/396394224.db2.gz NLYNZCVAXFNJBZ-GFCCVEGCSA-N 1 0 307.369 0.995 10 0 DCAERO CC(C)n1nccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189790659 396399772 /nfs/dbraw/zinc/39/97/72/396399772.db2.gz GNOBHASNPXAHQP-UHFFFAOYSA-N 1 0 305.382 0.709 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000193124875 396444281 /nfs/dbraw/zinc/44/42/81/396444281.db2.gz HHZCEUACENZQDS-OCCSQVGLSA-N 1 0 312.410 0.945 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000193124910 396444359 /nfs/dbraw/zinc/44/43/59/396444359.db2.gz HHZCEUACENZQDS-TZMCWYRMSA-N 1 0 312.410 0.945 10 0 DCAERO CC(C)[N@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193158818 396444934 /nfs/dbraw/zinc/44/49/34/396444934.db2.gz NSJYTUXGMNUWAL-LBPRGKRZSA-N 1 0 306.362 0.346 10 0 DCAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)co1 ZINC000188106731 396378834 /nfs/dbraw/zinc/37/88/34/396378834.db2.gz VFAUZUIZKKVRIM-GFCCVEGCSA-N 1 0 301.350 0.927 10 0 DCAERO COCCCNC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188126380 396379292 /nfs/dbraw/zinc/37/92/92/396379292.db2.gz DRILRCJWJQKGEK-KBPBESRZSA-N 1 0 312.435 0.909 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000193296939 396448017 /nfs/dbraw/zinc/44/80/17/396448017.db2.gz JYTIVPCSBNTLLI-GFCCVEGCSA-N 1 0 311.407 0.500 10 0 DCAERO C[NH+](C)[C@@]1(CNC(=O)c2cn3cccnc3n2)CCSC1 ZINC000530648224 396580329 /nfs/dbraw/zinc/58/03/29/396580329.db2.gz BMDGKPMEJPOKLR-CQSZACIVSA-N 1 0 305.407 0.896 10 0 DCAERO COC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)[nH]1 ZINC000293972015 396645141 /nfs/dbraw/zinc/64/51/41/396645141.db2.gz QPUSPPMDTNINNT-CHWSQXEVSA-N 1 0 307.350 0.346 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807809 396615113 /nfs/dbraw/zinc/61/51/13/396615113.db2.gz WNXPNVDACYUETB-HUBLWGQQSA-N 1 0 313.398 0.491 10 0 DCAERO C[N@H+](C[C@H](O)Cn1cccn1)C1CCN(c2cnccn2)CC1 ZINC000373828664 396617107 /nfs/dbraw/zinc/61/71/07/396617107.db2.gz KGGFJMFACPQOEV-HNNXBMFYSA-N 1 0 316.409 0.635 10 0 DCAERO Cc1nc(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)cs1 ZINC000584794379 396625130 /nfs/dbraw/zinc/62/51/30/396625130.db2.gz SVBGFWOCQBGJCS-UHFFFAOYSA-N 1 0 312.439 0.520 10 0 DCAERO COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1C ZINC000374415300 396662837 /nfs/dbraw/zinc/66/28/37/396662837.db2.gz MAHIQBDKXMIAFI-TYNCELHUSA-N 1 0 313.398 0.158 10 0 DCAERO CCCC[C@H](NC(N)=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588857930 396694918 /nfs/dbraw/zinc/69/49/18/396694918.db2.gz YRNQEFIEWURXGR-LBPRGKRZSA-N 1 0 310.402 0.610 10 0 DCAERO Cc1nc(CN2CCCN(c3cc[nH+]cc3C(N)=O)CC2)no1 ZINC000302243495 396718720 /nfs/dbraw/zinc/71/87/20/396718720.db2.gz YYUUGHTXLOUAOU-UHFFFAOYSA-N 1 0 316.365 0.584 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375558525 396772105 /nfs/dbraw/zinc/77/21/05/396772105.db2.gz RSINSDBDGXRGNO-BFHYXJOUSA-N 1 0 312.458 0.878 10 0 DCAERO Cn1nncc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328631970 396826807 /nfs/dbraw/zinc/82/68/07/396826807.db2.gz LBHYYNBYHPMWJA-QWRGUYRKSA-N 1 0 310.402 0.974 10 0 DCAERO C[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)n1cncn1 ZINC000329083534 396838746 /nfs/dbraw/zinc/83/87/46/396838746.db2.gz FFHPSWCTADAZJW-KGLIPLIRSA-N 1 0 320.441 0.466 10 0 DCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)COc1ccc(Cl)cc1 ZINC000629609606 396810188 /nfs/dbraw/zinc/81/01/88/396810188.db2.gz BCCPRIMSKZVEAZ-KWCYVHTRSA-N 1 0 301.770 0.819 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611668425 396905260 /nfs/dbraw/zinc/90/52/60/396905260.db2.gz IZBKUTLVBMPWOI-KBPBESRZSA-N 1 0 309.410 0.352 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@@](C)(C[NH3+])C1 ZINC000630360879 396994042 /nfs/dbraw/zinc/99/40/42/396994042.db2.gz HOFUADHFCRYZRX-MWLCHTKSSA-N 1 0 305.425 0.578 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630361765 396994678 /nfs/dbraw/zinc/99/46/78/396994678.db2.gz VLHLKEWINNKXCI-FRRDWIJNSA-N 1 0 305.444 0.544 10 0 DCAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618675724 397009173 /nfs/dbraw/zinc/00/91/73/397009173.db2.gz GVAVFKGYWCQHOW-JHJVBQTASA-N 1 0 317.455 0.352 10 0 DCAERO C[C@H](C[S@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000612313749 397028839 /nfs/dbraw/zinc/02/88/39/397028839.db2.gz QKLGQTKOQPYOBR-SBKAZYGRSA-N 1 0 301.416 0.333 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000626036896 397057604 /nfs/dbraw/zinc/05/76/04/397057604.db2.gz RUQXKPGPYXGYFD-QLFBSQMISA-N 1 0 320.389 0.825 10 0 DCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000381869582 397274382 /nfs/dbraw/zinc/27/43/82/397274382.db2.gz YGQAUKIAUYAZGH-HZPDHXFCSA-N 1 0 303.406 0.708 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCOCc1ccccc1 ZINC000390008074 397298525 /nfs/dbraw/zinc/29/85/25/397298525.db2.gz DOMDYHHIFNBEJB-CQSZACIVSA-N 1 0 314.407 0.111 10 0 DCAERO O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2c[nH]c3nccnc23)C1 ZINC000365618228 397302156 /nfs/dbraw/zinc/30/21/56/397302156.db2.gz HBHGFMFWBSCTNJ-GFCCVEGCSA-N 1 0 321.406 0.566 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000396340610 397310576 /nfs/dbraw/zinc/31/05/76/397310576.db2.gz BTASSDGRZNWMDQ-FVQBIDKESA-N 1 0 303.406 0.442 10 0 DCAERO C[C@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000407958407 397337358 /nfs/dbraw/zinc/33/73/58/397337358.db2.gz RKBSAECTXRQXBJ-KGLIPLIRSA-N 1 0 310.442 0.979 10 0 DCAERO CCOC(=O)C1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000408077253 397345975 /nfs/dbraw/zinc/34/59/75/397345975.db2.gz VKUMAQDZFOMUJS-OLZOCXBDSA-N 1 0 312.410 0.897 10 0 DCAERO CN(Cc1nnnn1C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000578010152 397379092 /nfs/dbraw/zinc/37/90/92/397379092.db2.gz DLKVOPGSSWOAQB-GFCCVEGCSA-N 1 0 307.402 0.368 10 0 DCAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602500855 397421232 /nfs/dbraw/zinc/42/12/32/397421232.db2.gz QHNBGNLUDVITGK-ZFWWWQNUSA-N 1 0 321.421 0.713 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CCO1 ZINC000370169727 397450868 /nfs/dbraw/zinc/45/08/68/397450868.db2.gz BALHTYWTQSAADI-HZSPNIEDSA-N 1 0 306.410 0.906 10 0 DCAERO Cc1nc2c(nccc2C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000366683256 397389400 /nfs/dbraw/zinc/38/94/00/397389400.db2.gz RPYHRCFWMBKYCT-RYUDHWBXSA-N 1 0 315.377 0.859 10 0 DCAERO CCOC(=O)c1ncc(C[NH2+]C2(CO)CCOCC2)s1 ZINC000602771449 397480356 /nfs/dbraw/zinc/48/03/56/397480356.db2.gz APLOXIKUXIKGQZ-UHFFFAOYSA-N 1 0 300.380 0.951 10 0 DCAERO NC(=O)CC1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000371390062 397578778 /nfs/dbraw/zinc/57/87/78/397578778.db2.gz VBKMGCRDEBJPMC-AWEZNQCLSA-N 1 0 309.410 0.211 10 0 DCAERO C[N@@H+]1CCCN(CCCNC(=O)c2cn3cccnc3n2)CC1 ZINC000603900164 397626811 /nfs/dbraw/zinc/62/68/11/397626811.db2.gz NLJSBRVYFJBONF-UHFFFAOYSA-N 1 0 316.409 0.487 10 0 DCAERO C[C@H](CO)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000608498296 397735209 /nfs/dbraw/zinc/73/52/09/397735209.db2.gz GORTURKGBDOKTE-NSHDSACASA-N 1 0 302.396 0.273 10 0 DCAERO Cc1nnc(CN2CCN(Cc3cccc(C(N)=O)c3)CC2)[nH]1 ZINC000605422749 397664131 /nfs/dbraw/zinc/66/41/31/397664131.db2.gz RXJXITOCQQLIPA-UHFFFAOYSA-N 1 0 314.393 0.530 10 0 DCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000179035369 286298321 /nfs/dbraw/zinc/29/83/21/286298321.db2.gz ILNXFGMCBRJLPV-CBBWQLFWSA-N 1 0 323.437 0.518 10 0 DCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2 ZINC000119371620 286295591 /nfs/dbraw/zinc/29/55/91/286295591.db2.gz DCTBBDMLFUPFSL-MGPQQGTHSA-N 1 0 319.467 0.919 10 0 DCAERO CCOCCOCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000056984434 158023957 /nfs/dbraw/zinc/02/39/57/158023957.db2.gz RWDDSGLGJGMXFE-UHFFFAOYSA-N 1 0 322.409 0.825 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000070060458 158046467 /nfs/dbraw/zinc/04/64/67/158046467.db2.gz UTRBPDSVJXAKCO-RYUDHWBXSA-N 1 0 307.460 0.791 10 0 DCAERO NC(=O)c1ccc(NCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000073177991 158054168 /nfs/dbraw/zinc/05/41/68/158054168.db2.gz UVVKHMFEFDLUPF-UHFFFAOYSA-N 1 0 316.405 0.894 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000077807897 158070201 /nfs/dbraw/zinc/07/02/01/158070201.db2.gz DMMVQWCKTFRDTI-OLZOCXBDSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(CC(=O)NC(=O)NC3CC3)CC2)CCO1 ZINC000079490516 158079076 /nfs/dbraw/zinc/07/90/76/158079076.db2.gz GLGPSNRRJYKTHA-LBPRGKRZSA-N 1 0 324.425 0.160 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000091768238 158109581 /nfs/dbraw/zinc/10/95/81/158109581.db2.gz UVZRTEWAZSWSTL-ZIAGYGMSSA-N 1 0 318.425 0.791 10 0 DCAERO Cn1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(=O)n(C)c1=O ZINC000092785809 158117299 /nfs/dbraw/zinc/11/72/99/158117299.db2.gz HDXARYCBTMRSIB-HNNXBMFYSA-N 1 0 320.437 0.534 10 0 DCAERO CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000106381965 158133872 /nfs/dbraw/zinc/13/38/72/158133872.db2.gz USWPAURNBLADGW-CQSZACIVSA-N 1 0 319.471 0.496 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc(C)no2)CC1=O ZINC000112875157 158143506 /nfs/dbraw/zinc/14/35/06/158143506.db2.gz NXXDBFSFWRBIOG-NEPJUHHUSA-N 1 0 321.381 0.649 10 0 DCAERO CCN(C[C@H](O)CN1CCCC1=O)[C@@H](C)CS(=O)(=O)CC ZINC000113510947 158147659 /nfs/dbraw/zinc/14/76/59/158147659.db2.gz HZGMIJDUVKKTFG-STQMWFEESA-N 1 0 320.455 0.115 10 0 DCAERO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116246084 158163925 /nfs/dbraw/zinc/16/39/25/158163925.db2.gz KWLWVTCKXHLNFC-CJNGLKHVSA-N 1 0 318.421 0.887 10 0 DCAERO C[C@H](C(=O)NC1CCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889258 158167396 /nfs/dbraw/zinc/16/73/96/158167396.db2.gz JHUJBAWSBUCSEY-PWSUYJOCSA-N 1 0 303.428 0.057 10 0 DCAERO CN(C1CCCCC1)S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900962 158168825 /nfs/dbraw/zinc/16/88/25/158168825.db2.gz AFSPGBFIBLVCNY-AWEZNQCLSA-N 1 0 319.471 0.758 10 0 DCAERO COCCN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000117473699 158171740 /nfs/dbraw/zinc/17/17/40/158171740.db2.gz YHWVFGJIKZRMEH-AWEZNQCLSA-N 1 0 324.469 0.975 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1 ZINC000118124304 158175579 /nfs/dbraw/zinc/17/55/79/158175579.db2.gz YCNACWFTPJLRHI-AWEZNQCLSA-N 1 0 323.368 0.991 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000119441716 158186746 /nfs/dbraw/zinc/18/67/46/158186746.db2.gz ORIJUJODRDMCIC-JKSUJKDBSA-N 1 0 322.453 0.368 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000120581291 158200744 /nfs/dbraw/zinc/20/07/44/158200744.db2.gz KMSHVCQABINXKK-MELADBBJSA-N 1 0 323.441 0.668 10 0 DCAERO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1C ZINC000121028610 158206829 /nfs/dbraw/zinc/20/68/29/158206829.db2.gz AXIJVVOTTRWWJR-VXGBXAGGSA-N 1 0 321.377 0.573 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1CC ZINC000124917926 158249027 /nfs/dbraw/zinc/24/90/27/158249027.db2.gz YWVFGUWVISZMDK-KGLIPLIRSA-N 1 0 311.426 0.472 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C(N)=O)cn1C ZINC000125985104 158260436 /nfs/dbraw/zinc/26/04/36/158260436.db2.gz RCSZCBHNWYDOPN-NWDGAFQWSA-N 1 0 306.410 0.974 10 0 DCAERO COc1ccc(O)c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000127205753 158271006 /nfs/dbraw/zinc/27/10/06/158271006.db2.gz RJIMNSCKTNHTEK-ZDUSSCGKSA-N 1 0 306.362 0.994 10 0 DCAERO C[C@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000129614505 158290145 /nfs/dbraw/zinc/29/01/45/158290145.db2.gz TYJXVARDVRNOTF-MCIONIFRSA-N 1 0 324.425 0.112 10 0 DCAERO CC[C@H]1CN(C(=O)CCCC(=O)OC)CC[N@@H+]1CCOC ZINC000131228375 158301106 /nfs/dbraw/zinc/30/11/06/158301106.db2.gz JMPSUQNTNBYVEK-ZDUSSCGKSA-N 1 0 300.399 0.899 10 0 DCAERO CN1CCN(C(=O)CC2CC[NH+](CCn3ccnc3)CC2)CC1 ZINC000131869672 158305870 /nfs/dbraw/zinc/30/58/70/158305870.db2.gz IRAKCVIXMDWLQJ-UHFFFAOYSA-N 1 0 319.453 0.759 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000134263329 158325232 /nfs/dbraw/zinc/32/52/32/158325232.db2.gz SSHOVXKPJPAHSJ-SNVBAGLBSA-N 1 0 304.799 0.915 10 0 DCAERO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134784301 158331209 /nfs/dbraw/zinc/33/12/09/158331209.db2.gz LDZDZSBZAWFXND-OLZOCXBDSA-N 1 0 309.341 0.909 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCO1 ZINC000135173707 158334075 /nfs/dbraw/zinc/33/40/75/158334075.db2.gz MGUKBEGCUVFWEH-AWEZNQCLSA-N 1 0 315.377 0.670 10 0 DCAERO CC(C)(O)CN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000135405088 158336697 /nfs/dbraw/zinc/33/66/97/158336697.db2.gz AAONHYKILWUEFO-GFCCVEGCSA-N 1 0 306.410 0.745 10 0 DCAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000136405888 158342635 /nfs/dbraw/zinc/34/26/35/158342635.db2.gz OZFUZNUHMQEBBO-LLVKDONJSA-N 1 0 311.407 0.607 10 0 DCAERO CC(C)C[C@H](CO)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000136858707 158343660 /nfs/dbraw/zinc/34/36/60/158343660.db2.gz LMZZXXFCKSDKQP-CQSZACIVSA-N 1 0 301.431 0.805 10 0 DCAERO CC(C)C[C@@H](CO)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000136858662 158344319 /nfs/dbraw/zinc/34/43/19/158344319.db2.gz LMZZXXFCKSDKQP-AWEZNQCLSA-N 1 0 301.431 0.805 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)CC(C)C ZINC000139841280 158347425 /nfs/dbraw/zinc/34/74/25/158347425.db2.gz DIXXVMPQHPDCRL-KBPBESRZSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)cn2)C[C@H](C)O1 ZINC000164669770 158363979 /nfs/dbraw/zinc/36/39/79/158363979.db2.gz YZEZHXSYBFTJNF-RYUDHWBXSA-N 1 0 304.394 0.803 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)no1 ZINC000168457066 158372434 /nfs/dbraw/zinc/37/24/34/158372434.db2.gz QIODXJIRTDROCR-NEPJUHHUSA-N 1 0 307.398 0.404 10 0 DCAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170914362 158378142 /nfs/dbraw/zinc/37/81/42/158378142.db2.gz ALAQUFQTSGUDMQ-GFCCVEGCSA-N 1 0 319.471 0.538 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171038377 158379235 /nfs/dbraw/zinc/37/92/35/158379235.db2.gz JMMCXAOAMOVIFY-YPMHNXCESA-N 1 0 308.430 0.931 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000171554051 158384676 /nfs/dbraw/zinc/38/46/76/158384676.db2.gz SLOLYLKOHUDOSH-NSHDSACASA-N 1 0 317.397 0.390 10 0 DCAERO O=C(CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)NC1CC1 ZINC000171631377 158385281 /nfs/dbraw/zinc/38/52/81/158385281.db2.gz LYKRWODEQMJSDS-AWEZNQCLSA-N 1 0 308.426 0.925 10 0 DCAERO NS(=O)(=O)c1cnc(N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000171831540 158387239 /nfs/dbraw/zinc/38/72/39/158387239.db2.gz AVLOQRCGYUFUJR-UHFFFAOYSA-N 1 0 302.425 0.465 10 0 DCAERO COC[C@H](C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171800944 158387691 /nfs/dbraw/zinc/38/76/91/158387691.db2.gz POQJNVTXGRPGHS-CYBMUJFWSA-N 1 0 306.410 0.846 10 0 DCAERO 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/nfs/dbraw/zinc/76/94/72/158769472.db2.gz BNBRUCFQWJLLIK-BDJLRTHQSA-N 1 0 315.373 0.862 10 0 DCAERO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3C[NH2+]C3)CC2)C1 ZINC000262207371 158785126 /nfs/dbraw/zinc/78/51/26/158785126.db2.gz IIMYVSAWKIVOEJ-DZGCQCFKSA-N 1 0 322.453 0.045 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262308872 158795882 /nfs/dbraw/zinc/79/58/82/158795882.db2.gz QGJZFZRXEFLSAS-CMPLNLGQSA-N 1 0 321.402 0.431 10 0 DCAERO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C)cc1 ZINC000262334609 158799278 /nfs/dbraw/zinc/79/92/78/158799278.db2.gz SLWNIHVZNHRTIO-ARFHVFGLSA-N 1 0 319.405 0.259 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000263261667 158867587 /nfs/dbraw/zinc/86/75/87/158867587.db2.gz STYNJDXKQZFKFO-YPMHNXCESA-N 1 0 324.450 0.949 10 0 DCAERO Cc1cccc2nc(C[N@H+](CCO)C3CCOCC3)cc(=O)n12 ZINC000328602685 159014398 /nfs/dbraw/zinc/01/43/98/159014398.db2.gz HDWISWKXJFXJHL-UHFFFAOYSA-N 1 0 317.389 0.976 10 0 DCAERO 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10 0 DCAERO C[N@H+](CCO)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408097910 160035142 /nfs/dbraw/zinc/03/51/42/160035142.db2.gz OVFPSICKTCZDNH-UHFFFAOYSA-N 1 0 305.444 0.106 10 0 DCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@H](C)O)CC1 ZINC000408127959 160043043 /nfs/dbraw/zinc/04/30/43/160043043.db2.gz IAKBUSDIPIPGSM-DYEKYZERSA-N 1 0 311.426 0.192 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)[C@H]2C1 ZINC000408141697 160046889 /nfs/dbraw/zinc/04/68/89/160046889.db2.gz NKRYXHIGSLCUPJ-KGLIPLIRSA-N 1 0 308.426 0.735 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3coc(C(N)=O)c3)CC2)CCO1 ZINC000408214491 160061481 /nfs/dbraw/zinc/06/14/81/160061481.db2.gz NQTCGVIUAIAKDK-LLVKDONJSA-N 1 0 321.377 0.704 10 0 DCAERO C[C@@]1(C2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)NC(=O)NC1=O ZINC000408232179 160064771 /nfs/dbraw/zinc/06/47/71/160064771.db2.gz MINXPCIJAIZFPR-KCJUWKMLSA-N 1 0 309.288 0.220 10 0 DCAERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000408280226 160074866 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C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCS1(=O)=O ZINC000329294103 416162313 /nfs/dbraw/zinc/16/23/13/416162313.db2.gz RTYWPAPTVQRGQN-CHWSQXEVSA-N 1 0 302.440 0.896 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000183349124 416240778 /nfs/dbraw/zinc/24/07/78/416240778.db2.gz AWUXUZGCTQXHIA-STQMWFEESA-N 1 0 310.442 0.884 10 0 DCAERO CCNC(=O)N1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183484465 416242549 /nfs/dbraw/zinc/24/25/49/416242549.db2.gz MJRZLYBNULAYKG-UHFFFAOYSA-N 1 0 305.382 0.635 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000358815284 416277841 /nfs/dbraw/zinc/27/78/41/416277841.db2.gz NUZIUHXZKMQVST-UHFFFAOYSA-N 1 0 301.394 0.882 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000186958759 416258121 /nfs/dbraw/zinc/25/81/21/416258121.db2.gz VTEPJPLOZJVKPW-CYBMUJFWSA-N 1 0 321.421 0.936 10 0 DCAERO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1S(N)(=O)=O ZINC000186839148 416258887 /nfs/dbraw/zinc/25/88/87/416258887.db2.gz 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NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000238027047 416329659 /nfs/dbraw/zinc/32/96/59/416329659.db2.gz NYPLMYZDSPTYTF-DGCLKSJQSA-N 1 0 311.407 0.581 10 0 DCAERO COCCN(C)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245498097 416331256 /nfs/dbraw/zinc/33/12/56/416331256.db2.gz VKBRIXJWPFIRAG-KGLIPLIRSA-N 1 0 319.471 0.757 10 0 DCAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000359927189 416366836 /nfs/dbraw/zinc/36/68/36/416366836.db2.gz UPOTZBXLENLDRS-UPJWGTAASA-N 1 0 307.460 0.660 10 0 DCAERO CN1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000360846464 416414016 /nfs/dbraw/zinc/41/40/16/416414016.db2.gz NWMIOFMLUPOXCD-UHFFFAOYSA-N 1 0 304.394 0.950 10 0 DCAERO Cc1cc(CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)on1 ZINC000582199689 416448889 /nfs/dbraw/zinc/44/88/89/416448889.db2.gz UECIWFYRGCKNJM-UHFFFAOYSA-N 1 0 306.370 1.105 10 0 DCAERO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000532745157 416453348 /nfs/dbraw/zinc/45/33/48/416453348.db2.gz YDHPSXLXQBBJNZ-MELADBBJSA-N 1 0 301.383 0.570 10 0 DCAERO Cn1ncc2c1nc(NCCCC[NH+]1CCOCC1)[nH]c2=O ZINC000590770023 416528517 /nfs/dbraw/zinc/52/85/17/416528517.db2.gz NPXOLKYOSHHWIL-UHFFFAOYSA-N 1 0 306.370 0.593 10 0 DCAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000535804106 416532414 /nfs/dbraw/zinc/53/24/14/416532414.db2.gz QMIQEUUAMZFNIY-LLVKDONJSA-N 1 0 304.329 0.649 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000436382409 416555611 /nfs/dbraw/zinc/55/56/11/416555611.db2.gz CETDKMUTPKDXCP-KRWDZBQOSA-N 1 0 321.421 0.592 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000361825964 416504700 /nfs/dbraw/zinc/50/47/00/416504700.db2.gz PULYTHRBCVJKBG-LLVKDONJSA-N 1 0 307.398 0.550 10 0 DCAERO NC(=O)CCC1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000535046238 416512641 /nfs/dbraw/zinc/51/26/41/416512641.db2.gz ZKQYJLOYUPSQOH-GJZGRUSLSA-N 1 0 314.426 0.520 10 0 DCAERO CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000366487905 416629692 /nfs/dbraw/zinc/62/96/92/416629692.db2.gz ZPXVRAJLHNZZHL-BBRMVZONSA-N 1 0 311.426 0.601 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366590578 416633022 /nfs/dbraw/zinc/63/30/22/416633022.db2.gz LQMAFBNIDMMFQE-XHDPSFHLSA-N 1 0 313.398 0.491 10 0 DCAERO C[C@@H](CNC(=O)c1cccc2ncnn21)C[NH+]1CCN(C)CC1 ZINC000542940909 416635465 /nfs/dbraw/zinc/63/54/65/416635465.db2.gz QYJYZMKZAOYTJU-ZDUSSCGKSA-N 1 0 316.409 0.343 10 0 DCAERO Cc1cc(C)n(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000369346748 416753097 /nfs/dbraw/zinc/75/30/97/416753097.db2.gz NYMPKOZNHSXVPS-MRXNPFEDSA-N 1 0 319.453 0.738 10 0 DCAERO C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C1(CO)CCOCC1 ZINC000558863296 416794597 /nfs/dbraw/zinc/79/45/97/416794597.db2.gz BZYNGBVVGDKUMF-ZIAGYGMSSA-N 1 0 303.399 0.016 10 0 DCAERO c1csc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000623652570 416864035 /nfs/dbraw/zinc/86/40/35/416864035.db2.gz KFBVMBGUFGIKCK-SNVBAGLBSA-N 1 0 301.379 0.949 10 0 DCAERO c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N2CCOCC2)n1 ZINC000564259097 416888382 /nfs/dbraw/zinc/88/83/82/416888382.db2.gz VYWZCDHPQSNFLZ-ZDUSSCGKSA-N 1 0 303.410 1.209 10 0 DCAERO CC[C@@H]1CN(CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417747 417072880 /nfs/dbraw/zinc/07/28/80/417072880.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 1 0 319.471 0.063 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000448601244 417087639 /nfs/dbraw/zinc/08/76/39/417087639.db2.gz RDLKCNZLXJQWPR-UHFFFAOYSA-N 1 0 305.378 0.281 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405883584 417124232 /nfs/dbraw/zinc/12/42/32/417124232.db2.gz URQWKNLIEYYFAW-JHJVBQTASA-N 1 0 305.444 0.401 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000568342575 417123358 /nfs/dbraw/zinc/12/33/58/417123358.db2.gz WNYZPJZFLFDRPY-KRWDZBQOSA-N 1 0 319.405 0.368 10 0 DCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408045259 417135198 /nfs/dbraw/zinc/13/51/98/417135198.db2.gz YPXSVSXZRSFRST-YNEHKIRRSA-N 1 0 311.426 0.469 10 0 DCAERO COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)CC2 ZINC000408039457 417136103 /nfs/dbraw/zinc/13/61/03/417136103.db2.gz VRLWAGXKBKEGCO-XQQFMLRXSA-N 1 0 310.394 0.507 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000637642322 417152939 /nfs/dbraw/zinc/15/29/39/417152939.db2.gz UZKWRZJWHDVXEA-NXEZZACHSA-N 1 0 320.319 0.727 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000449730223 417170210 /nfs/dbraw/zinc/17/02/10/417170210.db2.gz QBXXOSJUTNLIKV-GXTWGEPZSA-N 1 0 323.418 0.419 10 0 DCAERO CC(=O)[C@@](C)(O)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000450615469 417249115 /nfs/dbraw/zinc/24/91/15/417249115.db2.gz PMQMMSSAURICIT-INIZCTEOSA-N 1 0 304.346 0.554 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCC(=O)N2CCC[C@@H]2C)CC12COC2 ZINC000451131966 417302948 /nfs/dbraw/zinc/30/29/48/417302948.db2.gz HYPBRIODKAPXRD-UONOGXRCSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC12COC2 ZINC000451139608 417305762 /nfs/dbraw/zinc/30/57/62/417305762.db2.gz SFYPEQNAZOPLHX-ZNMIVQPWSA-N 1 0 324.421 0.361 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC12COC2 ZINC000452270789 417464943 /nfs/dbraw/zinc/46/49/43/417464943.db2.gz ZUVUIWMWEGDXGT-UONOGXRCSA-N 1 0 324.421 0.899 10 0 DCAERO COc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000453916255 417535457 /nfs/dbraw/zinc/53/54/57/417535457.db2.gz KYJWCYXTHDGPTK-IINYFYTJSA-N 1 0 321.352 0.935 10 0 DCAERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4[C@H](O)[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5 ZINC000575417993 417536025 /nfs/dbraw/zinc/53/60/25/417536025.db2.gz PHAULTWBLLFYRX-BYHHXJKWSA-N 1 0 317.341 0.236 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)CN2CCCCC2)CC1 ZINC000634955723 417549093 /nfs/dbraw/zinc/54/90/93/417549093.db2.gz OPEMOYFMSSENPO-UONOGXRCSA-N 1 0 304.456 0.390 10 0 DCAERO C[C@H]1CN(C(=O)c2nn(C)cc2Br)C[C@@H]1C[NH3+] ZINC000638904251 417582405 /nfs/dbraw/zinc/58/24/05/417582405.db2.gz PYTRYQQRDRBRRX-YUMQZZPRSA-N 1 0 301.188 0.849 10 0 DCAERO C[C@H]1C[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[C@@H](C)C1 ZINC000662629635 417828551 /nfs/dbraw/zinc/82/85/51/417828551.db2.gz WFFATNUIPVFJLC-MROQNXINSA-N 1 0 304.456 0.937 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000653092793 418023397 /nfs/dbraw/zinc/02/33/97/418023397.db2.gz LLQGBPWLPSFOKD-IWSPIJDZSA-N 1 0 314.329 0.030 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000659336265 418083059 /nfs/dbraw/zinc/08/30/59/418083059.db2.gz MIIGLGPLWHSTOG-RYUDHWBXSA-N 1 0 302.440 0.706 10 0 DCAERO Cn1cc([C@H]2C[N@H+](Cc3cnn4ccccc34)C[C@@H]2C(N)=O)cn1 ZINC000299742795 229378856 /nfs/dbraw/zinc/37/88/56/229378856.db2.gz KLHYHUKXHQNEAZ-CABCVRRESA-N 1 0 324.388 0.769 10 0 DCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000229592888 545946766 /nfs/dbraw/zinc/94/67/66/545946766.db2.gz ANNARSYFEGKSDS-PSASIEDQSA-N 1 0 310.379 0.275 10 0 DCAERO CCc1ccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)s1 ZINC000019680686 261104282 /nfs/dbraw/zinc/10/42/82/261104282.db2.gz JFKRFNHGUZDKAX-UHFFFAOYSA-N 1 0 304.437 0.785 10 0 DCAERO CCc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1C ZINC000180637290 261113561 /nfs/dbraw/zinc/11/35/61/261113561.db2.gz QSHLASLZVFQZNM-KRWDZBQOSA-N 1 0 321.421 0.925 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nc(N(C)C)no2)CC1 ZINC000185258775 261119260 /nfs/dbraw/zinc/11/92/60/261119260.db2.gz VOTSSDIBSSPPDR-LBPRGKRZSA-N 1 0 311.430 0.660 10 0 DCAERO COC(=O)CCCCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190677665 261135477 /nfs/dbraw/zinc/13/54/77/261135477.db2.gz IRLAWIPTPUOVKZ-GFCCVEGCSA-N 1 0 306.428 0.686 10 0 DCAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000227720843 261152809 /nfs/dbraw/zinc/15/28/09/261152809.db2.gz QJWUEBIENXCJGF-TZMCWYRMSA-N 1 0 308.403 0.506 10 0 DCAERO CC[N@@H+]1CCC[C@H](Nc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000311986638 261174588 /nfs/dbraw/zinc/17/45/88/261174588.db2.gz UUILSGDWWNCXOL-VIFPVBQESA-N 1 0 304.441 0.995 10 0 DCAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2O)C1 ZINC000323181831 261178421 /nfs/dbraw/zinc/17/84/21/261178421.db2.gz PQOLVDIWMZCBRQ-JHJVBQTASA-N 1 0 300.399 0.983 10 0 DCAERO CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000354374546 261210559 /nfs/dbraw/zinc/21/05/59/261210559.db2.gz HNVZHSOVXANCFL-GJZGRUSLSA-N 1 0 311.426 0.350 10 0 DCAERO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000362238881 262014427 /nfs/dbraw/zinc/01/44/27/262014427.db2.gz RBJGWQSJOCPTPP-CYBMUJFWSA-N 1 0 313.398 0.398 10 0 DCAERO CC(C)NS(=O)(=O)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362661214 262057314 /nfs/dbraw/zinc/05/73/14/262057314.db2.gz CVVYGLJBVDQTLV-UHFFFAOYSA-N 1 0 305.444 0.162 10 0 DCAERO C[NH+]1CCC(CC(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000362871931 262083389 /nfs/dbraw/zinc/08/33/89/262083389.db2.gz COJAUSLPFNKCBE-UHFFFAOYSA-N 1 0 302.440 0.659 10 0 DCAERO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)CC1CC1 ZINC000460007058 272023969 /nfs/dbraw/zinc/02/39/69/272023969.db2.gz GVBAHHYDOPUXES-UHFFFAOYSA-N 1 0 312.458 0.197 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488727004 272049150 /nfs/dbraw/zinc/04/91/50/272049150.db2.gz DBJIUUCQTISKDP-TZMCWYRMSA-N 1 0 312.410 0.491 10 0 DCAERO CNC(=O)c1cccc(CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261974256 277260689 /nfs/dbraw/zinc/26/06/89/277260689.db2.gz LRVMSDIJYXJZQB-KGLIPLIRSA-N 1 0 305.378 0.211 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000193396810 277764873 /nfs/dbraw/zinc/76/48/73/277764873.db2.gz RLYYYTVRFFTZKK-QMTHXVAHSA-N 1 0 323.418 0.249 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000442140317 278018053 /nfs/dbraw/zinc/01/80/53/278018053.db2.gz RRMGAIIQDMROIS-VXGBXAGGSA-N 1 0 319.409 0.685 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000547733109 288073515 /nfs/dbraw/zinc/07/35/15/288073515.db2.gz DCGSBMFLBHSJQQ-CZUORRHYSA-N 1 0 307.394 0.057 10 0 DCAERO 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CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190873358 521116704 /nfs/dbraw/zinc/11/67/04/521116704.db2.gz SQFSWFAGOCOKMW-UHFFFAOYSA-N 1 0 320.386 0.427 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246528387 521740549 /nfs/dbraw/zinc/74/05/49/521740549.db2.gz FZIFEWAKHHEUEV-RFGFWPKPSA-N 1 0 308.426 0.827 10 0 DCAERO CN1CCN(c2ncc(C[N@H+](C)CC3(CO)CC3)cn2)CC1 ZINC000188953309 523496667 /nfs/dbraw/zinc/49/66/67/523496667.db2.gz HXLGUTVJQQAJQV-UHFFFAOYSA-N 1 0 305.426 0.433 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000157204324 523849411 /nfs/dbraw/zinc/84/94/11/523849411.db2.gz ZCPOMNAEWKUCIR-JTQLQIEISA-N 1 0 315.324 0.297 10 0 DCAERO CN(C(=O)Cn1nc2ccccn2c1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237215096 523856978 /nfs/dbraw/zinc/85/69/78/523856978.db2.gz CCHSAGUBYKDIQC-FUNVUKJBSA-N 1 0 315.377 0.237 10 0 DCAERO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1ccccn1 ZINC000188017684 524034611 /nfs/dbraw/zinc/03/46/11/524034611.db2.gz HVMMMWRZTQIJQF-UHFFFAOYSA-N 1 0 304.394 0.754 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)CS(C)(=O)=O ZINC000119253451 524343906 /nfs/dbraw/zinc/34/39/06/524343906.db2.gz FHLFXRLRUQKKEH-OLZOCXBDSA-N 1 0 300.428 0.671 10 0 DCAERO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CCO2)n1 ZINC000246303064 524534543 /nfs/dbraw/zinc/53/45/43/524534543.db2.gz ODMZJJGEQYUYSE-KFWWJZLASA-N 1 0 306.410 0.855 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000245454688 524689027 /nfs/dbraw/zinc/68/90/27/524689027.db2.gz ADWHXFNUKGRAMM-QWRGUYRKSA-N 1 0 306.366 0.757 10 0 DCAERO C[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)C[C@@H]1N1CCOCC1 ZINC000156065817 524765897 /nfs/dbraw/zinc/76/58/97/524765897.db2.gz MWCBQDZFVSFJMF-ZBFHGGJFSA-N 1 0 309.454 0.945 10 0 DCAERO C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@@H]1N1CCOCC1 ZINC000246302455 524794885 /nfs/dbraw/zinc/79/48/85/524794885.db2.gz QDDACOSFMHXEFL-RDBSUJKOSA-N 1 0 313.467 0.261 10 0 DCAERO O=C1OCC[C@H]1CC[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000276271220 534813426 /nfs/dbraw/zinc/81/34/26/534813426.db2.gz GPTICPDUTMGKLH-GFCCVEGCSA-N 1 0 316.365 0.200 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CCO1 ZINC000157137836 524923970 /nfs/dbraw/zinc/92/39/70/524923970.db2.gz CKOGVVWZGKVVBQ-CHWSQXEVSA-N 1 0 309.410 0.224 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227801934 525200183 /nfs/dbraw/zinc/20/01/83/525200183.db2.gz ISVDPZLYYAGRCA-TUAOUCFPSA-N 1 0 303.428 0.044 10 0 DCAERO Cc1ccsc1CNC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000157818675 525850717 /nfs/dbraw/zinc/85/07/17/525850717.db2.gz NRYUPYKWTJTBKC-CYBMUJFWSA-N 1 0 311.451 0.935 10 0 DCAERO CC(=O)N(C)CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000330954542 526464071 /nfs/dbraw/zinc/46/40/71/526464071.db2.gz AMYZJIRJOYEIPR-OAHLLOKOSA-N 1 0 311.426 0.568 10 0 DCAERO Cc1nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(=O)[nH]c1C ZINC000157721727 526643402 /nfs/dbraw/zinc/64/34/02/526643402.db2.gz GAELJCKAGZVYMD-CHWSQXEVSA-N 1 0 304.394 0.943 10 0 DCAERO NC(=O)CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000266848224 526859525 /nfs/dbraw/zinc/85/95/25/526859525.db2.gz ORTLSQOLISREJH-UHFFFAOYSA-N 1 0 301.390 0.911 10 0 DCAERO [NH3+]CCCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000238074038 527180513 /nfs/dbraw/zinc/18/05/13/527180513.db2.gz QGTPCENXDNPWMW-UHFFFAOYSA-N 1 0 319.386 0.814 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC000267605451 527321278 /nfs/dbraw/zinc/32/12/78/527321278.db2.gz NATWKQQMTQJWBW-UONOGXRCSA-N 1 0 307.398 0.597 10 0 DCAERO CNC(=O)c1ccc(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)cc1 ZINC000285551132 536423596 /nfs/dbraw/zinc/42/35/96/536423596.db2.gz QRYHJIXJYGVLAJ-OAHLLOKOSA-N 1 0 301.350 0.258 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(=O)Nc3ccccc3)[C@H]2C1 ZINC000284845779 536468242 /nfs/dbraw/zinc/46/82/42/536468242.db2.gz CMPJOBAYKCDBTA-KBPBESRZSA-N 1 0 303.362 0.557 10 0 DCAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)n1cc(I)cn1 ZINC000082802677 545696604 /nfs/dbraw/zinc/69/66/04/545696604.db2.gz WEIBBGJMODKMEY-HZGVNTEJSA-N 1 0 322.150 0.642 10 0 DCAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)n1cc(I)cn1 ZINC000082802676 545696829 /nfs/dbraw/zinc/69/68/29/545696829.db2.gz WEIBBGJMODKMEY-IMTBSYHQSA-N 1 0 322.150 0.642 10 0 DCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000182905231 545906533 /nfs/dbraw/zinc/90/65/33/545906533.db2.gz CNEVOUYJZFMZBW-OAHLLOKOSA-N 1 0 301.394 0.957 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000183655357 545908600 /nfs/dbraw/zinc/90/86/00/545908600.db2.gz VYHPVSCKEZCLBI-GOEBONIOSA-N 1 0 322.405 0.989 10 0 DCAERO C[C@@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CCN1CCO ZINC000189056368 545919407 /nfs/dbraw/zinc/91/94/07/545919407.db2.gz MOANEFDQWKZYGI-GFCCVEGCSA-N 1 0 307.398 0.823 10 0 DCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000227801630 545944692 /nfs/dbraw/zinc/94/46/92/545944692.db2.gz CEOIHGMZMTZROP-MVWJERBFSA-N 1 0 311.407 0.639 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000227722118 545944697 /nfs/dbraw/zinc/94/46/97/545944697.db2.gz BRGROBTZYAEQHV-ZDUSSCGKSA-N 1 0 306.391 0.965 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)s1 ZINC000251079075 545973681 /nfs/dbraw/zinc/97/36/81/545973681.db2.gz NEJRJSZYQWQAIR-LLVKDONJSA-N 1 0 303.453 0.628 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@H]1[NH+](C)C ZINC000251774424 545973924 /nfs/dbraw/zinc/97/39/24/545973924.db2.gz MOJDYKDTOGOSLQ-BXKDBHETSA-N 1 0 301.387 0.979 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000261871077 545977863 /nfs/dbraw/zinc/97/78/63/545977863.db2.gz ZRKAOOFUVKLFBD-LBPRGKRZSA-N 1 0 308.407 0.818 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cnn1Cc1ccccc1 ZINC000262080150 545978450 /nfs/dbraw/zinc/97/84/50/545978450.db2.gz CIARYOZCTYIMHI-GOEBONIOSA-N 1 0 314.389 0.550 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cncc(Br)c1 ZINC000262080602 545978524 /nfs/dbraw/zinc/97/85/24/545978524.db2.gz CKGLKELLNHOBLY-WPRPVWTQSA-N 1 0 300.156 0.154 10 0 DCAERO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262146484 545979016 /nfs/dbraw/zinc/97/90/16/545979016.db2.gz HNMYLUWIOLVJIF-BXUZGUMPSA-N 1 0 310.781 0.999 10 0 DCAERO CCc1nc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nn1-c1ccccc1 ZINC000262206099 545980076 /nfs/dbraw/zinc/98/00/76/545980076.db2.gz INZPCMRYTYRQSJ-WCQYABFASA-N 1 0 315.377 0.140 10 0 DCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1OC(C)C ZINC000262264738 545981793 /nfs/dbraw/zinc/98/17/93/545981793.db2.gz MLGBBNIRVDUXSH-OLZOCXBDSA-N 1 0 308.378 0.793 10 0 DCAERO Cc1ccc(-c2nc(CC(=O)NC[C@H]3C[NH2+]C[C@H]3O)cs2)o1 ZINC000262291957 545982585 /nfs/dbraw/zinc/98/25/85/545982585.db2.gz OTEBJDSJYXVYHI-ZYHUDNBSSA-N 1 0 321.402 0.951 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cn(-c2ccccc2Cl)nn1 ZINC000262344980 545983537 /nfs/dbraw/zinc/98/35/37/545983537.db2.gz UARXNLCJOISVCO-ZANVPECISA-N 1 0 321.768 0.231 10 0 DCAERO Cc1cc(OC(F)F)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262356472 545984317 /nfs/dbraw/zinc/98/43/17/545984317.db2.gz UUFALBGGNDLROU-JGVFFNPUSA-N 1 0 306.334 0.968 10 0 DCAERO COc1cc(OC)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262362062 545984570 /nfs/dbraw/zinc/98/45/70/545984570.db2.gz VGYKYQSLUYQURJ-KOLCDFICSA-N 1 0 310.350 0.023 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262407486 545985462 /nfs/dbraw/zinc/98/54/62/545985462.db2.gz YZBNTJOYXZBWOV-IINYFYTJSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000262417598 545985649 /nfs/dbraw/zinc/98/56/49/545985649.db2.gz ZTTFOLQQFZHSSZ-GWCFXTLKSA-N 1 0 304.325 0.526 10 0 DCAERO CN(C(=O)N[C@@H]1CCN(c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333133151 546072632 /nfs/dbraw/zinc/07/26/32/546072632.db2.gz BZDLAHINHYTNJS-SNPRPXQTSA-N 1 0 304.394 0.239 10 0 DCAERO CN(C)c1cccnc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333635224 546087640 /nfs/dbraw/zinc/08/76/40/546087640.db2.gz TUEVQDYOPZPEPV-CHWSQXEVSA-N 1 0 303.410 0.899 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1N1CCOCC1 ZINC000333758248 546090848 /nfs/dbraw/zinc/09/08/48/546090848.db2.gz ADGHNXRFPCSMFI-JJXSEGSLSA-N 1 0 324.469 0.879 10 0 DCAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384604402 546216454 /nfs/dbraw/zinc/21/64/54/546216454.db2.gz RKEVRTZNFRTCAE-JTQLQIEISA-N 1 0 317.231 0.729 10 0 DCAERO COc1ncncc1CN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094245 661159088 /nfs/dbraw/zinc/15/90/88/661159088.db2.gz AJZFCDUVDVESKJ-OLZOCXBDSA-N 1 0 303.370 0.064 10 0 DCAERO COCCN1CC[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503555 661283405 /nfs/dbraw/zinc/28/34/05/661283405.db2.gz WCUCOQZZPYHUIG-CHWSQXEVSA-N 1 0 315.414 0.848 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@@H]1C ZINC000892357113 657730597 /nfs/dbraw/zinc/73/05/97/657730597.db2.gz XUKIIIAFIPGWSM-KBPBESRZSA-N 1 0 316.409 0.613 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000185153421 659243369 /nfs/dbraw/zinc/24/33/69/659243369.db2.gz FNINWWRVFIDXRZ-YNEHKIRRSA-N 1 0 300.399 0.671 10 0 DCAERO COc1ccc(OC)c([C@@H](C)NS(=O)(=O)C2C[NH2+]C2)c1 ZINC000722213149 659367081 /nfs/dbraw/zinc/36/70/81/659367081.db2.gz PKGVFAMBCODLQW-SECBINFHSA-N 1 0 300.380 0.656 10 0 DCAERO O=S(=O)(NCCCOC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000722233723 659396198 /nfs/dbraw/zinc/39/61/98/659396198.db2.gz UUQDVRNWOWKSLY-CHWSQXEVSA-N 1 0 306.428 0.244 10 0 DCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cncc(Br)c1 ZINC000261559250 661303016 /nfs/dbraw/zinc/30/30/16/661303016.db2.gz SYUUBJJCCIJDOT-OIBJUYFYSA-N 1 0 320.212 0.954 10 0 DCAERO C[C@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H]1[NH3+] ZINC000261600965 661315635 /nfs/dbraw/zinc/31/56/35/661315635.db2.gz ZLHKEZXIKQGMKY-JOYOIKCWSA-N 1 0 308.359 0.761 10 0 DCAERO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1C(N)=O ZINC000070120719 665752794 /nfs/dbraw/zinc/75/27/94/665752794.db2.gz AGDCSIWJRDMBLB-NSHDSACASA-N 1 0 311.407 0.514 10 0 DCAERO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C ZINC000178589413 661338726 /nfs/dbraw/zinc/33/87/26/661338726.db2.gz ROPVQQQWYQSUOG-BETUJISGSA-N 1 0 322.409 0.958 10 0 DCAERO CCOCCNC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261743818 661606640 /nfs/dbraw/zinc/60/66/40/661606640.db2.gz MXEIGJJMNBKRNZ-OAHLLOKOSA-N 1 0 321.421 0.794 10 0 DCAERO CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)C[C@@H](C)[NH3+])C2)no1 ZINC000261787458 661679346 /nfs/dbraw/zinc/67/93/46/661679346.db2.gz CDMDZXZKBMSMEB-NEPJUHHUSA-N 1 0 309.414 0.963 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC000261818853 661726160 /nfs/dbraw/zinc/72/61/60/661726160.db2.gz UEQQHFHWJRTUFF-VIFPVBQESA-N 1 0 316.379 0.368 10 0 DCAERO O=C(NCC1C[NH2+]C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000261940198 661891706 /nfs/dbraw/zinc/89/17/06/661891706.db2.gz GRJHINWOLMUYII-CYBMUJFWSA-N 1 0 305.403 0.537 10 0 DCAERO O=C(NCC1C[NH2+]C1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000262040564 661979045 /nfs/dbraw/zinc/97/90/45/661979045.db2.gz RTTHEFZWSDSQPL-SNVBAGLBSA-N 1 0 309.316 0.653 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000262950618 662604488 /nfs/dbraw/zinc/60/44/88/662604488.db2.gz BVHQSTUROUFEMR-CQSZACIVSA-N 1 0 323.368 0.651 10 0 DCAERO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000321231006 662620681 /nfs/dbraw/zinc/62/06/81/662620681.db2.gz VEYNZGHUVZAIQK-UHFFFAOYSA-N 1 0 301.387 0.527 10 0 DCAERO C[C@H]1CN(CCNC(=O)NCCc2ccccc2O)CCO1 ZINC000729606646 662905053 /nfs/dbraw/zinc/90/50/53/662905053.db2.gz RPAWRZZIPPJZOX-ZDUSSCGKSA-N 1 0 307.394 0.955 10 0 DCAERO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000040860566 663050902 /nfs/dbraw/zinc/05/09/02/663050902.db2.gz NKRFYTIWHVITRD-SECBINFHSA-N 1 0 305.350 0.765 10 0 DCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000227751219 664538321 /nfs/dbraw/zinc/53/83/21/664538321.db2.gz SIDUFHFICIUCNU-RWMBFGLXSA-N 1 0 318.439 0.399 10 0 DCAERO CN(CCS(C)(=O)=O)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228929037 664583315 /nfs/dbraw/zinc/58/33/15/664583315.db2.gz SIQMYZFYNWCSKD-UHIISALHSA-N 1 0 318.439 0.022 10 0 DCAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000063168123 664626402 /nfs/dbraw/zinc/62/64/02/664626402.db2.gz UDAREBVYVOQZID-GFCCVEGCSA-N 1 0 311.407 0.548 10 0 DCAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000730936077 664828977 /nfs/dbraw/zinc/82/89/77/664828977.db2.gz ICRJIEHCBGVPFM-CQSZACIVSA-N 1 0 318.421 0.990 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424072946 666297711 /nfs/dbraw/zinc/29/77/11/666297711.db2.gz GYYOYPRNBDVZLQ-JSGCOSHPSA-N 1 0 305.403 0.824 10 0 DCAERO CC[S@](=O)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000735092044 666950633 /nfs/dbraw/zinc/95/06/33/666950633.db2.gz SCSGNCQSMRIIKS-FQEVSTJZSA-N 1 0 301.456 0.929 10 0 DCAERO [NH3+]C[C@@]1(CO)COCCN1Cc1cncc(Br)c1 ZINC000703230410 667071383 /nfs/dbraw/zinc/07/13/83/667071383.db2.gz RXDKIOZWGYTYSM-GFCCVEGCSA-N 1 0 316.199 0.366 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000710708757 667446031 /nfs/dbraw/zinc/44/60/31/667446031.db2.gz VGOSHYAECLRSKF-FDYHWXHSSA-N 1 0 300.399 0.860 10 0 DCAERO C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711051268 667448662 /nfs/dbraw/zinc/44/86/62/667448662.db2.gz SHRGGDBTOHEQNL-JQWIXIFHSA-N 1 0 311.386 0.919 10 0 DCAERO CC1(C)CC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)OC1 ZINC000711352242 667459615 /nfs/dbraw/zinc/45/96/15/667459615.db2.gz LOEDIECOQBKGST-RYUDHWBXSA-N 1 0 306.428 0.099 10 0 DCAERO CN1CC[C@](O)(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000711418086 667464106 /nfs/dbraw/zinc/46/41/06/667464106.db2.gz MDCQXFIAXLDFJC-ZUEPYMLJSA-N 1 0 313.442 0.946 10 0 DCAERO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000711770678 667538143 /nfs/dbraw/zinc/53/81/43/667538143.db2.gz OVRRKIJFADAAAO-WZRBSPASSA-N 1 0 303.380 0.180 10 0 DCAERO CC(C)N1C[C@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)CC1=O ZINC000886043446 667726422 /nfs/dbraw/zinc/72/64/22/667726422.db2.gz IZGIRGRWWYUQHJ-NEPJUHHUSA-N 1 0 305.382 0.613 10 0 DCAERO Cc1c([C@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C(N)=O)cnn1C ZINC000886071980 667728447 /nfs/dbraw/zinc/72/84/47/667728447.db2.gz SYLUSYWXQSEZJL-CABCVRRESA-N 1 0 306.410 0.798 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)Cc2cncnc2)C1 ZINC000886075351 667729287 /nfs/dbraw/zinc/72/92/87/667729287.db2.gz KAFDWDQTPWGFMD-ZNMIVQPWSA-N 1 0 304.394 0.777 10 0 DCAERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCn3ccnc32)OCCN1C ZINC000886085611 667730334 /nfs/dbraw/zinc/73/03/34/667730334.db2.gz VPCLVKXOGYFWEH-SNPRPXQTSA-N 1 0 316.409 0.723 10 0 DCAERO O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc2c[nH+]cn2c1 ZINC000886999852 667831215 /nfs/dbraw/zinc/83/12/15/667831215.db2.gz UZZBBZJYQKRHIS-ZIAGYGMSSA-N 1 0 301.346 0.994 10 0 DCAERO COC(=O)/C=C(\C)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000930425293 669013503 /nfs/dbraw/zinc/01/35/03/669013503.db2.gz JQJMZSXMFKXLQD-ISBHARSQSA-N 1 0 310.394 0.555 10 0 DCAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1nnnn1C1CC1 ZINC000188870558 670057536 /nfs/dbraw/zinc/05/75/36/670057536.db2.gz LQYRQBJBFHPQLF-GMXVVIOVSA-N 1 0 319.413 0.947 10 0 DCAERO Cn1cc(CNC[C@@](C)(O)C[NH+](C)C)c(Br)n1 ZINC000712495812 670149341 /nfs/dbraw/zinc/14/93/41/670149341.db2.gz JFHCHKCHDJMHPG-LLVKDONJSA-N 1 0 305.220 0.585 10 0 DCAERO CC1(C)CC[NH2+]CCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000712539953 670150811 /nfs/dbraw/zinc/15/08/11/670150811.db2.gz JQROAIBHZZFORM-ZDUSSCGKSA-N 1 0 303.472 0.732 10 0 DCAERO CCC1([NH3+])CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000714759211 670194300 /nfs/dbraw/zinc/19/43/00/670194300.db2.gz OFARTRYLLUPLIC-UHFFFAOYSA-N 1 0 306.819 0.966 10 0 DCAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ncc(Br)s1 ZINC000714942162 670196510 /nfs/dbraw/zinc/19/65/10/670196510.db2.gz CXBHNEPUEKESCN-XRGYYRRGSA-N 1 0 306.185 0.638 10 0 DCAERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2C[NH2+]C2)c1 ZINC000193175306 670250141 /nfs/dbraw/zinc/25/01/41/670250141.db2.gz BRTXKVZQQRNZOF-UHFFFAOYSA-N 1 0 305.743 0.807 10 0 DCAERO C[C@]1(C[NH2+]CCS(=O)(=O)N2CCOCC2)CCCS1 ZINC000388486814 685255743 /nfs/dbraw/zinc/25/57/43/685255743.db2.gz XDAWXAQVKLLNQX-GFCCVEGCSA-N 1 0 308.469 0.524 10 0 DCAERO CCC(CC)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)SC ZINC000394031616 685266363 /nfs/dbraw/zinc/26/63/63/685266363.db2.gz ISNMRMABMCGJOQ-NSHDSACASA-N 1 0 310.485 0.816 10 0 DCAERO Cn1ncc(C[NH3+])c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000719293273 685309557 /nfs/dbraw/zinc/30/95/57/685309557.db2.gz INUYBWQWTIMBMD-UHFFFAOYSA-N 1 0 313.405 0.837 10 0 DCAERO Cn1cc(CNC[C@@H](O)C[NH+]2CCCC2)c(Br)n1 ZINC000720681569 685314258 /nfs/dbraw/zinc/31/42/58/685314258.db2.gz NKIMOBHZCGFUKC-LLVKDONJSA-N 1 0 317.231 0.729 10 0 DCAERO CS(=O)(=O)CC1(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000720884685 685316097 /nfs/dbraw/zinc/31/60/97/685316097.db2.gz KZQSMKCDGIASPQ-RKDXNWHRSA-N 1 0 300.346 0.633 10 0 DCAERO CO[C@]1(C[NH2+]Cc2c(C)nn(C)c2C)CCS(=O)(=O)C1 ZINC000721231728 685317884 /nfs/dbraw/zinc/31/78/84/685317884.db2.gz XWUURMWMLURFDT-ZDUSSCGKSA-N 1 0 301.412 0.330 10 0 DCAERO CO[C@]1(C[NH2+]Cc2nc(C)ccc2O)CCS(=O)(=O)C1 ZINC000721226934 685317896 /nfs/dbraw/zinc/31/78/96/685317896.db2.gz CHIJJJFZUZIJHN-ZDUSSCGKSA-N 1 0 300.380 0.389 10 0 DCAERO COc1ccc2c(c1)N(CN1CC[N@@H+]3CCC[C@H]3C1)C(=O)C2=O ZINC000247007382 685168653 /nfs/dbraw/zinc/16/86/53/685168653.db2.gz IWAPOOSQNYPVSD-LBPRGKRZSA-N 1 0 315.373 0.962 10 0 DCAERO CCOC(=O)[C@@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248429213 685174947 /nfs/dbraw/zinc/17/49/47/685174947.db2.gz SUPHVAZSORCKDD-BBRMVZONSA-N 1 0 309.410 0.526 10 0 DCAERO CS(=O)(=O)N1CC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000250055994 685184885 /nfs/dbraw/zinc/18/48/85/685184885.db2.gz MLJVSZBTFUXBMS-YNEHKIRRSA-N 1 0 300.424 0.425 10 0 DCAERO Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000383456861 685242458 /nfs/dbraw/zinc/24/24/58/685242458.db2.gz IGDGXSGNNSIYSG-ZETCQYMHSA-N 1 0 302.176 0.402 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000074578806 1173923665 /nfs/dbraw/zinc/92/36/65/1173923665.db2.gz USOKUXLGZIQIBR-UHFFFAOYSA-N 1 0 321.396 0.991 10 0 DCAERO C[NH2+]CCN(C)C(=O)[C@H](Cc1cccc(OC)c1)NC(C)=O ZINC000237315205 1180916825 /nfs/dbraw/zinc/91/68/25/1180916825.db2.gz QWGZAQTYEKZYDT-HNNXBMFYSA-N 1 0 307.394 0.420 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175726976 1184113090 /nfs/dbraw/zinc/11/30/90/1184113090.db2.gz GAWYZUXLPKODCN-HIFRSBDPSA-N 1 0 324.469 0.372 10 0 DCAERO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([NH+](C)C)CC1 ZINC000193821627 1188093930 /nfs/dbraw/zinc/09/39/30/1188093930.db2.gz XNODCDGXPUTAHC-GFCCVEGCSA-N 1 0 310.442 0.125 10 0 DCAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000186314866 759656160 /nfs/dbraw/zinc/65/61/60/759656160.db2.gz DIXJKLLSKQFVCX-LBPRGKRZSA-N 1 0 310.398 0.261 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 ZINC000247495057 771827721 /nfs/dbraw/zinc/82/77/21/771827721.db2.gz XDMBEAWHCKXLGC-GXTWGEPZSA-N 1 0 322.409 0.924 10 0 DCAERO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)cc1 ZINC000250945081 776195791 /nfs/dbraw/zinc/19/57/91/776195791.db2.gz LRQFZHWVBUIDCG-NWANDNLSSA-N 1 0 313.419 0.874 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CC2 ZINC000246524338 282121446 /nfs/dbraw/zinc/12/14/46/282121446.db2.gz VZGXZTQXYKCAHQ-KGLIPLIRSA-N 1 0 318.425 0.781 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)CCO1 ZINC000107305459 282127002 /nfs/dbraw/zinc/12/70/02/282127002.db2.gz IRFDCUVKMNTRKW-LLVKDONJSA-N 1 0 324.450 0.833 10 0 DCAERO CN(C)c1ncc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000181280890 282138312 /nfs/dbraw/zinc/13/83/12/282138312.db2.gz QMVDZGQAXZVRAX-LBPRGKRZSA-N 1 0 308.386 0.337 10 0 DCAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000174092759 529702298 /nfs/dbraw/zinc/70/22/98/529702298.db2.gz RVGIHBYXSRJPGR-QWRGUYRKSA-N 1 0 311.348 0.442 10 0 DCAERO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181635234 199330278 /nfs/dbraw/zinc/33/02/78/199330278.db2.gz UAEHZCNVGGGNLS-VXGBXAGGSA-N 1 0 304.394 0.858 10 0 DCAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H](C)N1CCOCC1 ZINC000171907499 299106955 /nfs/dbraw/zinc/10/69/55/299106955.db2.gz CBDGAWAJWLKPRG-SOUVJXGZSA-N 1 0 310.442 0.585 10 0 DCAERO C[NH+]1CCC(CCNC(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000186956769 530048833 /nfs/dbraw/zinc/04/88/33/530048833.db2.gz AMIFDVHNSBIHJO-UHFFFAOYSA-N 1 0 308.382 0.910 10 0 DCAERO CNS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307308 545657062 /nfs/dbraw/zinc/65/70/62/545657062.db2.gz DAPZGJWCXOZFQK-LLVKDONJSA-N 1 0 311.407 0.923 10 0 DCAERO C[C@@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000173650979 295747935 /nfs/dbraw/zinc/74/79/35/295747935.db2.gz BYSOPEYWGNPHFD-STQMWFEESA-N 1 0 317.455 0.401 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)n(C)c1=O ZINC000192346685 282561286 /nfs/dbraw/zinc/56/12/86/282561286.db2.gz 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CC[N@@H+]1CCC[C@H](NC(=O)CCCN2C(=O)CN(C)C2=O)C1 ZINC000193686940 395776777 /nfs/dbraw/zinc/77/67/77/395776777.db2.gz SSONHGTZSYNIAH-LBPRGKRZSA-N 1 0 310.398 0.261 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(=O)cnc3ccccc32)C1 ZINC000194627564 395802945 /nfs/dbraw/zinc/80/29/45/395802945.db2.gz XBRADSSDOBEECL-CYBMUJFWSA-N 1 0 314.389 0.997 10 0 DCAERO Cc1cnn(CCNC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000118060256 395858295 /nfs/dbraw/zinc/85/82/95/395858295.db2.gz DYIZXYMVQNLMSU-UHFFFAOYSA-N 1 0 309.414 0.603 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Cn1cccn1 ZINC000111837295 395814729 /nfs/dbraw/zinc/81/47/29/395814729.db2.gz SQXQUUADJUSUBS-GJZGRUSLSA-N 1 0 323.441 0.929 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118105613 395858969 /nfs/dbraw/zinc/85/89/69/395858969.db2.gz LSDFZOMTEAUXSW-NSHDSACASA-N 1 0 306.366 0.629 10 0 DCAERO COC(=O)c1ccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nn1 ZINC000112556545 395819670 /nfs/dbraw/zinc/81/96/70/395819670.db2.gz 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Cc1cnn(CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000118057128 395856994 /nfs/dbraw/zinc/85/69/94/395856994.db2.gz AVJUXNBRRHVLQW-GASCZTMLSA-N 1 0 323.441 0.990 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C2CC2)CC1 ZINC000124709669 395901431 /nfs/dbraw/zinc/90/14/31/395901431.db2.gz RLCVPCMLYYCPIN-UHFFFAOYSA-N 1 0 300.362 0.636 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000245454687 395929968 /nfs/dbraw/zinc/92/99/68/395929968.db2.gz ADWHXFNUKGRAMM-MNOVXSKESA-N 1 0 306.366 0.757 10 0 DCAERO COCC[NH2+]CCNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000237284261 395909438 /nfs/dbraw/zinc/90/94/38/395909438.db2.gz GHWLLDCKYWCITO-HNNXBMFYSA-N 1 0 307.394 0.606 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128600037 395918171 /nfs/dbraw/zinc/91/81/71/395918171.db2.gz NRJFZAQZORBURP-CHWSQXEVSA-N 1 0 300.428 0.896 10 0 DCAERO O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238077390 395920368 /nfs/dbraw/zinc/92/03/68/395920368.db2.gz 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395941247 /nfs/dbraw/zinc/94/12/47/395941247.db2.gz YGDWADPVOUPMKX-JSGCOSHPSA-N 1 0 306.410 0.713 10 0 DCAERO Cc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000246303540 395946550 /nfs/dbraw/zinc/94/65/50/395946550.db2.gz BYIYLAOBCXMEKP-OCCSQVGLSA-N 1 0 322.409 0.964 10 0 DCAERO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248894146 395999524 /nfs/dbraw/zinc/99/95/24/395999524.db2.gz SXZFKHBZSIBZDS-GXTWGEPZSA-N 1 0 304.394 0.552 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000246368801 395948231 /nfs/dbraw/zinc/94/82/31/395948231.db2.gz IYKRHYZDOOONQK-NWDGAFQWSA-N 1 0 323.397 0.906 10 0 DCAERO CN1CCO[C@@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738493 395948469 /nfs/dbraw/zinc/94/84/69/395948469.db2.gz HQZUGLFBSXEPPU-VIFPVBQESA-N 1 0 314.183 0.905 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)[C@@H](C)C1 ZINC000246489359 395951397 /nfs/dbraw/zinc/95/13/97/395951397.db2.gz RMWIJGKMOJURNA-KKUMJFAQSA-N 1 0 312.458 0.689 10 0 DCAERO CC[C@H]1CN(C(=O)CCOCCOC)CC[N@@H+]1C[C@H](C)O ZINC000246669236 395956018 /nfs/dbraw/zinc/95/60/18/395956018.db2.gz AFKDAZVJKWUXOG-KBPBESRZSA-N 1 0 302.415 0.343 10 0 DCAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)C2)[C@@H](C)C1 ZINC000246865237 395959512 /nfs/dbraw/zinc/95/95/12/395959512.db2.gz RYHGHBHREWBVKR-MJBXVCDLSA-N 1 0 311.426 0.376 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCC(=O)OC ZINC000246850677 395959650 /nfs/dbraw/zinc/95/96/50/395959650.db2.gz DYFZQJZVNAYETP-OLZOCXBDSA-N 1 0 318.439 0.828 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)c1ccco1 ZINC000246951598 395961641 /nfs/dbraw/zinc/96/16/41/395961641.db2.gz DCTSJUZPEUYXJF-STQMWFEESA-N 1 0 320.393 0.888 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000246962566 395962216 /nfs/dbraw/zinc/96/22/16/395962216.db2.gz XOBYPZDQIXPWLY-LSDHHAIUSA-N 1 0 309.410 0.178 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246989182 395963090 /nfs/dbraw/zinc/96/30/90/395963090.db2.gz LITHBAPKZUIEDB-NEPJUHHUSA-N 1 0 303.428 0.011 10 0 DCAERO CCOC(=O)CCCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247068111 395965506 /nfs/dbraw/zinc/96/55/06/395965506.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 1 0 313.442 0.860 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000247150255 395967984 /nfs/dbraw/zinc/96/79/84/395967984.db2.gz KBDIKZHKUGMPNC-ZFWWWQNUSA-N 1 0 305.426 0.547 10 0 DCAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247402602 395973401 /nfs/dbraw/zinc/97/34/01/395973401.db2.gz PMSNBVWADMSSSE-ZWNOBZJWSA-N 1 0 304.394 0.915 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000247434167 395973467 /nfs/dbraw/zinc/97/34/67/395973467.db2.gz OXYPRPAUXDHSHQ-QWHCGFSZSA-N 1 0 309.410 0.714 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(N)=O ZINC000274820443 395979285 /nfs/dbraw/zinc/97/92/85/395979285.db2.gz JPDGYKSSIDPMQE-JSGCOSHPSA-N 1 0 304.394 0.682 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)CC ZINC000248132211 395983393 /nfs/dbraw/zinc/98/33/93/395983393.db2.gz WSOBOAZMQJFKHG-NEPJUHHUSA-N 1 0 303.428 0.011 10 0 DCAERO CC(C)(C)OC(=O)CNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248441800 395988374 /nfs/dbraw/zinc/98/83/74/395988374.db2.gz DTEOQNATSYZCKL-ZDUSSCGKSA-N 1 0 311.426 0.614 10 0 DCAERO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000249018823 396001849 /nfs/dbraw/zinc/00/18/49/396001849.db2.gz KMEWBIDJMMWORY-ZIAGYGMSSA-N 1 0 322.471 0.641 10 0 DCAERO COC(=O)[C@@H](C(OC)OC)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248766583 395997078 /nfs/dbraw/zinc/99/70/78/395997078.db2.gz KUKWAJYKTFWNQJ-KBPBESRZSA-N 1 0 314.426 0.955 10 0 DCAERO COC(=O)CCCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248808399 395997310 /nfs/dbraw/zinc/99/73/10/395997310.db2.gz WYSLVLVZOKAIAW-ZDUSSCGKSA-N 1 0 318.439 0.830 10 0 DCAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252696402 396024431 /nfs/dbraw/zinc/02/44/31/396024431.db2.gz AAMIZURENOADSR-MJBXVCDLSA-N 1 0 304.456 0.893 10 0 DCAERO O=C(NC[C@H]1CCCCS1(=O)=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258495713 396047010 /nfs/dbraw/zinc/04/70/10/396047010.db2.gz LUTFRUOMPWMOMW-VXGBXAGGSA-N 1 0 303.428 0.395 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)C1CCS(=O)(=O)CC1 ZINC000261626701 396050303 /nfs/dbraw/zinc/05/03/03/396050303.db2.gz AOKRQVWTNQYULC-UHFFFAOYSA-N 1 0 324.446 0.841 10 0 DCAERO CSC1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CCOCC1 ZINC000261630603 396050726 /nfs/dbraw/zinc/05/07/26/396050726.db2.gz CVUVZFJORLYPNK-GFCCVEGCSA-N 1 0 302.440 0.769 10 0 DCAERO CN(CC1CC1)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261669341 396054931 /nfs/dbraw/zinc/05/49/31/396054931.db2.gz IWILRFRLFIGMSW-CQSZACIVSA-N 1 0 310.423 0.615 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1noc(-c2ccccc2)n1 ZINC000261693313 396056648 /nfs/dbraw/zinc/05/66/48/396056648.db2.gz JCJDCCXWZKDNCJ-UHFFFAOYSA-N 1 0 315.377 0.600 10 0 DCAERO COc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1N1CCCC1=O ZINC000261701271 396057621 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ZINC000237287249 287066633 /nfs/dbraw/zinc/06/66/33/287066633.db2.gz NWTYJKWKICXKGX-UHFFFAOYSA-N 1 0 304.799 0.792 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000245856672 287073835 /nfs/dbraw/zinc/07/38/35/287073835.db2.gz OQUJZCIEQYXAFA-ZOBORPQBSA-N 1 0 300.399 0.129 10 0 DCAERO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000245949990 287074760 /nfs/dbraw/zinc/07/47/60/287074760.db2.gz BWUBUIOZRDGPNI-XQQFMLRXSA-N 1 0 312.414 0.016 10 0 DCAERO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000246982939 287089807 /nfs/dbraw/zinc/08/98/07/287089807.db2.gz SKDCLVLCEZEELB-MGPQQGTHSA-N 1 0 310.442 0.125 10 0 DCAERO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@H](C)C1 ZINC000248555375 287098432 /nfs/dbraw/zinc/09/84/32/287098432.db2.gz KJTVTIHKXCAZLB-WDEREUQCSA-N 1 0 322.409 0.359 10 0 DCAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248697309 287100039 /nfs/dbraw/zinc/10/00/39/287100039.db2.gz 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415506752 /nfs/dbraw/zinc/50/67/52/415506752.db2.gz SMOOAMUGIPHTJO-AWEZNQCLSA-N 1 0 322.471 0.643 10 0 DCAERO C[C@H](C(=O)N[C@H]1COC[C@H]1n1ccnn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000333143953 415569453 /nfs/dbraw/zinc/56/94/53/415569453.db2.gz LLIAJVRIJDLTNN-XHJNMGKDSA-N 1 0 307.398 0.596 10 0 DCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000333290741 415601805 /nfs/dbraw/zinc/60/18/05/415601805.db2.gz HUVZXPDFIPRHGM-LBPRGKRZSA-N 1 0 324.429 0.590 10 0 DCAERO CC(C)CCOCCNC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000103283633 415613377 /nfs/dbraw/zinc/61/33/77/415613377.db2.gz CFKPQHNUAUUUKZ-ZIAGYGMSSA-N 1 0 313.442 0.751 10 0 DCAERO CCn1cnnc1C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000105928711 415634196 /nfs/dbraw/zinc/63/41/96/415634196.db2.gz JPBHMWSJJZSPND-UHFFFAOYSA-N 1 0 321.425 0.726 10 0 DCAERO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105884634 415636925 /nfs/dbraw/zinc/63/69/25/415636925.db2.gz AVJPZQHSHPLWMM-ZDUSSCGKSA-N 1 0 322.413 0.453 10 0 DCAERO 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415731274 /nfs/dbraw/zinc/73/12/74/415731274.db2.gz BCWGGBRECZQJMK-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cnn(C)c1 ZINC000111866838 415702486 /nfs/dbraw/zinc/70/24/86/415702486.db2.gz WFXHOESEIJMCMC-AWEZNQCLSA-N 1 0 309.414 0.672 10 0 DCAERO C[C@H]1CN(C(=O)NCC(=O)NCC2CC2)CC[N@@H+](C2CC2)C1 ZINC000333661443 415707401 /nfs/dbraw/zinc/70/74/01/415707401.db2.gz WMEZJDOJNVAAIW-GFCCVEGCSA-N 1 0 308.426 0.638 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H]1CN1CCOCC1 ZINC000333660378 415708788 /nfs/dbraw/zinc/70/87/88/415708788.db2.gz LLADWUNCYCOXNT-HUUCEWRRSA-N 1 0 310.442 0.635 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCOCC2(CCOCC2)C1 ZINC000333850997 415753129 /nfs/dbraw/zinc/75/31/29/415753129.db2.gz QATPDWSZUMGCTP-CQSZACIVSA-N 1 0 311.426 0.967 10 0 DCAERO Cn1nccc1C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000120920525 415785236 /nfs/dbraw/zinc/78/52/36/415785236.db2.gz JIDIOTHYPJIAIZ-UHFFFAOYSA-N 1 0 309.370 0.795 10 0 DCAERO 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ZINC000187815282 416263335 /nfs/dbraw/zinc/26/33/35/416263335.db2.gz DBGZVEPPJXAAKR-UHFFFAOYSA-N 1 0 312.414 0.020 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNc2cncc(OCCO)n2)CC1 ZINC000189443196 416265534 /nfs/dbraw/zinc/26/55/34/416265534.db2.gz YOBUPTPPXHKDAI-AWEZNQCLSA-N 1 0 323.441 0.533 10 0 DCAERO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000189672262 416267553 /nfs/dbraw/zinc/26/75/53/416267553.db2.gz ABLLGJAPMZDHMG-KBPBESRZSA-N 1 0 304.456 0.895 10 0 DCAERO CCc1onc(C)c1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000190050703 416274692 /nfs/dbraw/zinc/27/46/92/416274692.db2.gz VNRHQXSWMZYEOW-JTQLQIEISA-N 1 0 324.381 0.009 10 0 DCAERO COC(=O)CCN(Cc1nc(N(C)C)no1)C[C@@H]1CCCO1 ZINC000192721289 416310080 /nfs/dbraw/zinc/31/00/80/416310080.db2.gz PNTVQARSWOZSSX-NSHDSACASA-N 1 0 312.370 0.680 10 0 DCAERO CC(C)C[NH+]1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000193309733 416313834 /nfs/dbraw/zinc/31/38/34/416313834.db2.gz LIUFIEBJEOIHKM-CQSZACIVSA-N 1 0 324.469 0.386 10 0 DCAERO CCOC(=O)C1CCC(O)(C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000190924516 416282185 /nfs/dbraw/zinc/28/21/85/416282185.db2.gz YXMOBVHZWWLPTB-FUJMWEONSA-N 1 0 314.426 0.785 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000246856545 416332440 /nfs/dbraw/zinc/33/24/40/416332440.db2.gz CWNMQLGIZNBCRI-OLZOCXBDSA-N 1 0 314.393 0.752 10 0 DCAERO CC[C@@H]1CN(C[C@@H](O)COCC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247393849 416332792 /nfs/dbraw/zinc/33/27/92/416332792.db2.gz XLRVFCSRYREKDE-ARFHVFGLSA-N 1 0 302.459 0.797 10 0 DCAERO CC[C@H]1CN(C(=O)Nc2nccn(C)c2=O)CC[N@@H+]1C[C@H](C)O ZINC000248592652 416333686 /nfs/dbraw/zinc/33/36/86/416333686.db2.gz HKKYSNYKSZCIBM-RYUDHWBXSA-N 1 0 323.397 0.089 10 0 DCAERO Cc1cccc(NC[C@H]2CCN(Cc3nc(N)nc(N)n3)C2)[nH+]1 ZINC000195516165 416326669 /nfs/dbraw/zinc/32/66/69/416326669.db2.gz IGVMBPNNLSWZEX-LLVKDONJSA-N 1 0 314.397 0.673 10 0 DCAERO O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000237999762 416329644 /nfs/dbraw/zinc/32/96/44/416329644.db2.gz VKHZYVKFYHXQFA-VXGBXAGGSA-N 1 0 323.359 0.490 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246085636 416331634 /nfs/dbraw/zinc/33/16/34/416331634.db2.gz LZCXSTIFLAUKNA-RBSFLKMASA-N 1 0 322.453 0.269 10 0 DCAERO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000360273952 416383651 /nfs/dbraw/zinc/38/36/51/416383651.db2.gz VORZXIHGGRRRAO-ZIAGYGMSSA-N 1 0 311.426 0.329 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360490599 416392799 /nfs/dbraw/zinc/39/27/99/416392799.db2.gz KNUDVBODWFTXRT-HNNXBMFYSA-N 1 0 305.382 0.675 10 0 DCAERO CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000434421746 416477844 /nfs/dbraw/zinc/47/78/44/416477844.db2.gz XVFABOAEGVOSBH-GJZGRUSLSA-N 1 0 311.426 0.208 10 0 DCAERO C[N@H+](CCCCNC(=O)N1CCN2CCOC[C@H]2C1)C1CC1 ZINC000459172388 416525969 /nfs/dbraw/zinc/52/59/69/416525969.db2.gz YPGYZQGNLOGJPO-OAHLLOKOSA-N 1 0 310.442 0.587 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020967 416533581 /nfs/dbraw/zinc/53/35/81/416533581.db2.gz VAXLQZRBVWFGDO-SWLSCSKDSA-N 1 0 303.410 0.697 10 0 DCAERO CN(C)c1nccc(N2CC[NH+](CCc3cncn3C)CC2)n1 ZINC000459337310 416535136 /nfs/dbraw/zinc/53/51/36/416535136.db2.gz JEJFXFLZFWZBLQ-UHFFFAOYSA-N 1 0 315.425 0.641 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)[C@@H](C)C1 ZINC000365443101 416603073 /nfs/dbraw/zinc/60/30/73/416603073.db2.gz MWYVGMITOHOSBF-CYUUQNCZSA-N 1 0 311.426 0.157 10 0 DCAERO C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000441695519 416680045 /nfs/dbraw/zinc/68/00/45/416680045.db2.gz RDSWONFMRGAEDR-GXTWGEPZSA-N 1 0 308.382 0.409 10 0 DCAERO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544319238 416653870 /nfs/dbraw/zinc/65/38/70/416653870.db2.gz QUGGNBHLQUHFPA-LLVKDONJSA-N 1 0 310.402 0.875 10 0 DCAERO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)CCCO)C1 ZINC000440942940 416654465 /nfs/dbraw/zinc/65/44/65/416654465.db2.gz GWURNZUOANQMIR-OLZOCXBDSA-N 1 0 300.399 0.491 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCC(NC(N)=O)CC2)CC1 ZINC000545176149 416666094 /nfs/dbraw/zinc/66/60/94/416666094.db2.gz NSAVKQUPWIMDGQ-UHFFFAOYSA-N 1 0 309.414 0.481 10 0 DCAERO C[C@H]1CCCN1S(=O)(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000545319184 416672391 /nfs/dbraw/zinc/67/23/91/416672391.db2.gz OIVACBWJHZVNIK-AWEZNQCLSA-N 1 0 318.487 0.333 10 0 DCAERO CN(CCCO)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000442991175 416725020 /nfs/dbraw/zinc/72/50/20/416725020.db2.gz LHFXSPMFTHAMQC-UHFFFAOYSA-N 1 0 305.422 0.888 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000369356020 416757695 /nfs/dbraw/zinc/75/76/95/416757695.db2.gz ZMQHSGHNMNDYFR-MQYQWHSLSA-N 1 0 308.426 0.731 10 0 DCAERO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC(n2ccnn2)C1 ZINC000369382894 416765004 /nfs/dbraw/zinc/76/50/04/416765004.db2.gz GJNFUCFRSDKUIG-UHFFFAOYSA-N 1 0 319.409 0.697 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)c2cn3cccnc3n2)CC1(C)C ZINC000558669001 416786418 /nfs/dbraw/zinc/78/64/18/416786418.db2.gz RHJNOUKRHUYPLC-UHFFFAOYSA-N 1 0 316.409 0.485 10 0 DCAERO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CCO2 ZINC000558702492 416787470 /nfs/dbraw/zinc/78/74/70/416787470.db2.gz QNUQZXAVGOGBBV-JJXSEGSLSA-N 1 0 315.410 0.423 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NCCOCC[NH+](C)C)cc1 ZINC000427092636 416797470 /nfs/dbraw/zinc/79/74/70/416797470.db2.gz JQEOGBITKINMIH-UHFFFAOYSA-N 1 0 307.394 0.977 10 0 DCAERO C[C@H]1CC(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)C1 ZINC000631950316 416827040 /nfs/dbraw/zinc/82/70/40/416827040.db2.gz FRNOTTZRFVSTEC-BZPMIXESSA-N 1 0 304.456 0.967 10 0 DCAERO COCCC1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631953349 416830596 /nfs/dbraw/zinc/83/05/96/416830596.db2.gz IHTQNWUPWHHGFR-ZDUSSCGKSA-N 1 0 306.428 0.053 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)C[C@H]1C[NH3+] ZINC000631968590 416839098 /nfs/dbraw/zinc/83/90/98/416839098.db2.gz VZVQQBBGEGELTL-RKDXNWHRSA-N 1 0 312.420 0.907 10 0 DCAERO CC1CCN(C(=[NH2+])NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000624582376 417066339 /nfs/dbraw/zinc/06/63/39/417066339.db2.gz NFCACIIFLIWZES-UHFFFAOYSA-N 1 0 304.460 0.961 10 0 DCAERO CC(=O)Nc1cc(S(N)(=O)=O)ccc1OCC[NH+](C)C ZINC000616591573 417084916 /nfs/dbraw/zinc/08/49/16/417084916.db2.gz NXCZYFKKIWIHNJ-UHFFFAOYSA-N 1 0 301.368 0.233 10 0 DCAERO C[C@H](OCc1ccccc1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000404359882 417118299 /nfs/dbraw/zinc/11/82/99/417118299.db2.gz DEMFQDHYNQXGJO-HNNXBMFYSA-N 1 0 305.422 0.955 10 0 DCAERO CCO[C@@H]1CN(Cc2c(Br)cnn2C)C[C@H]1C[NH3+] ZINC000405546708 417123028 /nfs/dbraw/zinc/12/30/28/417123028.db2.gz WRGZGZSGUYWFNN-BXKDBHETSA-N 1 0 317.231 0.978 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000408044699 417135694 /nfs/dbraw/zinc/13/56/94/417135694.db2.gz WEOXVOGZRSDMCM-MRXNPFEDSA-N 1 0 311.426 0.160 10 0 DCAERO C[C@H](Oc1ccccn1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000449179299 417130337 /nfs/dbraw/zinc/13/03/37/417130337.db2.gz VKKJQBLXHKGMRT-AWEZNQCLSA-N 1 0 306.410 0.555 10 0 DCAERO C[C@H]1C[C@H](N(C)S(=O)(=O)N2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000408120649 417142823 /nfs/dbraw/zinc/14/28/23/417142823.db2.gz AQMQGYCPSWQDGS-QWHCGFSZSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408065030 417135850 /nfs/dbraw/zinc/13/58/50/417135850.db2.gz XHCKOWIQKZAKGZ-CBBWQLFWSA-N 1 0 323.437 0.742 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000408424578 417161141 /nfs/dbraw/zinc/16/11/41/417161141.db2.gz WJHHRIJAWBNASS-STQMWFEESA-N 1 0 319.409 0.752 10 0 DCAERO CC(C)(C)[C@@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C[C@H]1O ZINC000408199918 417146443 /nfs/dbraw/zinc/14/64/43/417146443.db2.gz XWTVVRWCPNJXBZ-CHWSQXEVSA-N 1 0 319.467 0.655 10 0 DCAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000408270963 417150981 /nfs/dbraw/zinc/15/09/81/417150981.db2.gz TWQLURYFLGMKAO-CYBMUJFWSA-N 1 0 317.455 0.386 10 0 DCAERO O=C(C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)N1CCNC1=O ZINC000432098901 417159651 /nfs/dbraw/zinc/15/96/51/417159651.db2.gz ZTDLMVJKOGSUII-GFCCVEGCSA-N 1 0 317.393 0.561 10 0 DCAERO CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450775068 417266828 /nfs/dbraw/zinc/26/68/28/417266828.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 1 0 320.433 0.895 10 0 DCAERO O[C@H](COc1ccc2c(c1)OCO2)CN1CC[NH+](C2CC2)CC1 ZINC000620749249 417272629 /nfs/dbraw/zinc/27/26/29/417272629.db2.gz MRGJLHWPONJIQP-AWEZNQCLSA-N 1 0 320.389 0.935 10 0 DCAERO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[NH2+]CCOC1 ZINC000643641287 417281288 /nfs/dbraw/zinc/28/12/88/417281288.db2.gz MSOBBIDIVDHOJC-INIZCTEOSA-N 1 0 314.389 0.784 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CCCNC1=O ZINC000637958554 417255007 /nfs/dbraw/zinc/25/50/07/417255007.db2.gz UYOHRXYXKRSYEP-IACUBPJLSA-N 1 0 305.378 0.314 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)CC)CC12COC2 ZINC000451128199 417301684 /nfs/dbraw/zinc/30/16/84/417301684.db2.gz BGQFHVPOCSVGOT-AVGNSLFASA-N 1 0 312.410 0.801 10 0 DCAERO Cc1nn(C)cc1CC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000451290687 417329038 /nfs/dbraw/zinc/32/90/38/417329038.db2.gz YMZNGXWAGGGMBF-BETUJISGSA-N 1 0 308.426 0.839 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000638279730 417404168 /nfs/dbraw/zinc/40/41/68/417404168.db2.gz VNVYPOQIZYIUIS-CABCVRRESA-N 1 0 307.438 0.969 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC12COC2 ZINC000452608191 417492801 /nfs/dbraw/zinc/49/28/01/417492801.db2.gz AGMBPPIIUKLEJK-IHRRRGAJSA-N 1 0 324.421 0.897 10 0 DCAERO CC(=O)Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000575063792 417506405 /nfs/dbraw/zinc/50/64/05/417506405.db2.gz FSTMQCOGWDBTQZ-INIZCTEOSA-N 1 0 306.406 0.805 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000532424323 417677761 /nfs/dbraw/zinc/67/77/61/417677761.db2.gz GIRMRZGKNAKVCC-UKRRQHHQSA-N 1 0 310.442 0.979 10 0 DCAERO COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639741414 417732334 /nfs/dbraw/zinc/73/23/34/417732334.db2.gz KZYICLWOOQYYPE-CHWSQXEVSA-N 1 0 304.350 0.583 10 0 DCAERO C[C@H](O)C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000653895542 418116828 /nfs/dbraw/zinc/11/68/28/418116828.db2.gz AYLQWKVYDQBJST-AAEUAGOBSA-N 1 0 318.373 0.489 10 0 DCAERO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N(C)CCn2cccn2)cnn1C ZINC000649333245 418240052 /nfs/dbraw/zinc/24/00/52/418240052.db2.gz IAPFKSGVUKMICS-CABCVRRESA-N 1 0 316.409 0.387 10 0 DCAERO C[C@@H]1CN(C(=O)NCc2ncc3c(n2)CCOC3)C[C@H]1[NH+](C)C ZINC000651206917 418354842 /nfs/dbraw/zinc/35/48/42/418354842.db2.gz BMCXDKURICNCRM-BXUZGUMPSA-N 1 0 319.409 0.641 10 0 DCAERO NC(=O)[C@H](O)C1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000299746719 229390088 /nfs/dbraw/zinc/39/00/88/229390088.db2.gz ZIWDJVUOXPOFEB-OAHLLOKOSA-N 1 0 315.373 0.999 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NCc1ccc(COC)cc1)C(C)C ZINC000183636338 261116783 /nfs/dbraw/zinc/11/67/83/261116783.db2.gz WHQVXIXMJPCAQJ-INIZCTEOSA-N 1 0 321.421 0.809 10 0 DCAERO COCCCS(=O)(=O)NCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000188018980 261126261 /nfs/dbraw/zinc/12/62/61/261126261.db2.gz RXYZOMNNKPDNQL-KGLIPLIRSA-N 1 0 322.471 0.425 10 0 DCAERO CC(C)C[C@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC000193038463 261140554 /nfs/dbraw/zinc/14/05/54/261140554.db2.gz ZZKTUXTUJXWYEL-LLVKDONJSA-N 1 0 312.414 0.409 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000194139040 261145126 /nfs/dbraw/zinc/14/51/26/261145126.db2.gz HDOCAWQLIBFCJK-ZDUSSCGKSA-N 1 0 312.414 0.019 10 0 DCAERO COCCC1(C)CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000358663133 271065033 /nfs/dbraw/zinc/06/50/33/271065033.db2.gz MZXSVSOJAGBCRH-AWEZNQCLSA-N 1 0 312.458 0.690 10 0 DCAERO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)N1 ZINC000363753851 271203613 /nfs/dbraw/zinc/20/36/13/271203613.db2.gz STOWSSVKQDDMLT-HNNXBMFYSA-N 1 0 315.333 0.844 10 0 DCAERO O[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)Cn1ccnn1 ZINC000459701797 272005553 /nfs/dbraw/zinc/00/55/53/272005553.db2.gz QOOLNWJGFSJKMQ-OAHLLOKOSA-N 1 0 302.378 0.796 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000520811826 272524396 /nfs/dbraw/zinc/52/43/96/272524396.db2.gz WBIIWUNCLYOGJS-QWRGUYRKSA-N 1 0 320.393 0.850 10 0 DCAERO CC(C)(C)n1nc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C1CC1 ZINC000262098045 275544094 /nfs/dbraw/zinc/54/40/94/275544094.db2.gz DNDWOATTZABHFY-SMDDNHRTSA-N 1 0 306.410 0.826 10 0 DCAERO Cc1ccn(C)c(=O)c1NC(=O)NCCNc1cc[nH+]cc1 ZINC000535756796 287841620 /nfs/dbraw/zinc/84/16/20/287841620.db2.gz KWOQLRDVNMCSOY-UHFFFAOYSA-N 1 0 301.350 0.744 10 0 DCAERO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]([NH3+])C1CC1)C2=O ZINC000236624156 275933582 /nfs/dbraw/zinc/93/35/82/275933582.db2.gz GNAVGXPWCJCIHJ-YWFMTQBDSA-N 1 0 322.409 0.341 10 0 DCAERO CC[N@@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000302565940 276179167 /nfs/dbraw/zinc/17/91/67/276179167.db2.gz NHRIXUNPEORNHZ-ZDUSSCGKSA-N 1 0 318.425 0.651 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1CC ZINC000263279518 276320445 /nfs/dbraw/zinc/32/04/45/276320445.db2.gz UCQWMHLIRLPFPV-CHWSQXEVSA-N 1 0 319.396 0.943 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000540515924 287904122 /nfs/dbraw/zinc/90/41/22/287904122.db2.gz QRKRAQLDWQBILC-UHFFFAOYSA-N 1 0 317.411 0.353 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000247285447 277045002 /nfs/dbraw/zinc/04/50/02/277045002.db2.gz ZRIWTNPLWSPKED-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000371868464 277149897 /nfs/dbraw/zinc/14/98/97/277149897.db2.gz APPNAIOWMPOEDD-HNNXBMFYSA-N 1 0 324.469 0.975 10 0 DCAERO COc1ccccc1-n1nccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263279444 278045265 /nfs/dbraw/zinc/04/52/65/278045265.db2.gz TZLVSMBPKGNOMV-SWLSCSKDSA-N 1 0 302.378 0.551 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178613079 278225873 /nfs/dbraw/zinc/22/58/73/278225873.db2.gz UWDNKSIGONCJBI-ZFWWWQNUSA-N 1 0 303.406 0.931 10 0 DCAERO CC(C)(C)n1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1 ZINC000189572643 278580575 /nfs/dbraw/zinc/58/05/75/278580575.db2.gz HQAGJWLJJYTOSL-LBPRGKRZSA-N 1 0 309.414 0.610 10 0 DCAERO COCCO[C@H]1COCC[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000547625777 288063085 /nfs/dbraw/zinc/06/30/85/288063085.db2.gz JKWRPXQALMJKRK-KGLIPLIRSA-N 1 0 317.430 0.400 10 0 DCAERO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000547768586 288077262 /nfs/dbraw/zinc/07/72/62/288077262.db2.gz BNVGORKAOLZGKV-WBMJQRKESA-N 1 0 311.426 0.613 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000187343561 279208338 /nfs/dbraw/zinc/20/83/38/279208338.db2.gz BVADACVGFVCXNX-GJZGRUSLSA-N 1 0 323.441 0.980 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C12CCOCC2 ZINC000333592620 279880910 /nfs/dbraw/zinc/88/09/10/279880910.db2.gz PJAAYAAXEWNSDH-RWMBFGLXSA-N 1 0 310.394 0.698 10 0 DCAERO Cc1cnn(C)c1C[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000552013192 288258916 /nfs/dbraw/zinc/25/89/16/288258916.db2.gz CQIKKWTUEIYPBI-UHFFFAOYSA-N 1 0 319.453 0.762 10 0 DCAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCS1(=O)=O ZINC000333501154 281177356 /nfs/dbraw/zinc/17/73/56/281177356.db2.gz FLIWQQPHUPARDR-LLVKDONJSA-N 1 0 303.428 0.347 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000173471926 288308056 /nfs/dbraw/zinc/30/80/56/288308056.db2.gz SRTAJNZGORDULG-NWDGAFQWSA-N 1 0 322.409 0.402 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000262832649 288322512 /nfs/dbraw/zinc/32/25/12/288322512.db2.gz QOMRQJRZLHVKFW-DOLQZWNJSA-N 1 0 307.316 0.558 10 0 DCAERO CC1CCC(N(C(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)C2CC2)CC1 ZINC000333813722 281723860 /nfs/dbraw/zinc/72/38/60/281723860.db2.gz GDYFOIAMAAOEHD-BGHVQYPCSA-N 1 0 309.454 0.821 10 0 DCAERO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000194490519 289162670 /nfs/dbraw/zinc/16/26/70/289162670.db2.gz VNPOERAJGMLATP-ZDUSSCGKSA-N 1 0 305.378 0.675 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)O1 ZINC000261820888 297054155 /nfs/dbraw/zinc/05/41/55/297054155.db2.gz UAKOWIBGYOQKRW-LPWJVIDDSA-N 1 0 303.428 0.024 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C[C@@H](C)O1 ZINC000261861718 297054671 /nfs/dbraw/zinc/05/46/71/297054671.db2.gz XXMBPNXJSNDSMZ-UTUOFQBUSA-N 1 0 305.444 0.400 10 0 DCAERO C[C@H]([NH3+])C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000157127210 298943811 /nfs/dbraw/zinc/94/38/11/298943811.db2.gz JZWLMHMTFODRBQ-QWRGUYRKSA-N 1 0 318.377 0.556 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc12 ZINC000193411440 302791843 /nfs/dbraw/zinc/79/18/43/302791843.db2.gz BOCMQTRHEYMROJ-ZANVPECISA-N 1 0 323.422 0.553 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cn1 ZINC000261933516 302937369 /nfs/dbraw/zinc/93/73/69/302937369.db2.gz MACLWZUSGHEVKF-LJIZCISZSA-N 1 0 318.421 0.797 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000262126649 303048939 /nfs/dbraw/zinc/04/89/39/303048939.db2.gz WJWKTDJPOPXOET-VIFPVBQESA-N 1 0 304.803 0.589 10 0 DCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000186089395 332914054 /nfs/dbraw/zinc/91/40/54/332914054.db2.gz NAEWARSEYBNGCK-CHWSQXEVSA-N 1 0 302.415 0.423 10 0 DCAERO O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000582656507 337121460 /nfs/dbraw/zinc/12/14/60/337121460.db2.gz AUMNDVLKSUMHRC-NWDGAFQWSA-N 1 0 302.783 0.701 10 0 DCAERO CCn1cc(-c2nn(C)cc2C(=O)N[C@H](C[NH3+])C2CC2)cn1 ZINC000584524290 337355456 /nfs/dbraw/zinc/35/54/56/337355456.db2.gz GCNMZIOMKIFHTK-CYBMUJFWSA-N 1 0 302.382 0.771 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249040530 520044118 /nfs/dbraw/zinc/04/41/18/520044118.db2.gz GPXDOQLMDREFPW-UONOGXRCSA-N 1 0 304.456 0.941 10 0 DCAERO COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CC[NH2+]CC2)C1=O ZINC000137476635 533865908 /nfs/dbraw/zinc/86/59/08/533865908.db2.gz KFBQZUWQSWGCQI-GFCCVEGCSA-N 1 0 323.780 0.886 10 0 DCAERO COc1cc(F)c(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000299740778 533968641 /nfs/dbraw/zinc/96/86/41/533968641.db2.gz BRZPFZQTETYLAS-RISCZKNCSA-N 1 0 310.325 0.656 10 0 DCAERO CC(=O)N1CCC(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247045727 519513782 /nfs/dbraw/zinc/51/37/82/519513782.db2.gz GTZABPHCSMJQBT-BBRMVZONSA-N 1 0 322.453 0.282 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000157826014 519842666 /nfs/dbraw/zinc/84/26/66/519842666.db2.gz WYWRRWOKPHZJTP-CYBMUJFWSA-N 1 0 312.414 0.004 10 0 DCAERO CCC[C@@H](C(=O)NCCC(=O)NCc1ccccn1)[NH+](C)C ZINC000157367486 520586622 /nfs/dbraw/zinc/58/66/22/520586622.db2.gz ADNFTDRWWCDEJL-AWEZNQCLSA-N 1 0 306.410 0.934 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246522059 521657110 /nfs/dbraw/zinc/65/71/10/521657110.db2.gz RGMIHLOCXUDVGU-NWDGAFQWSA-N 1 0 305.444 0.292 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156107645 521758264 /nfs/dbraw/zinc/75/82/64/521758264.db2.gz DWRYTPQGKMOKOB-JTQLQIEISA-N 1 0 316.379 0.795 10 0 DCAERO CNC(=O)c1ccc(NCCN2CCC([NH+](C)C)CC2)nn1 ZINC000267235712 521847380 /nfs/dbraw/zinc/84/73/80/521847380.db2.gz WRMKTKREPNOBOG-UHFFFAOYSA-N 1 0 306.414 0.274 10 0 DCAERO Cn1c2cccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2oc1=O ZINC000121872559 521881179 /nfs/dbraw/zinc/88/11/79/521881179.db2.gz XDEMGBDZKYYCGI-NSHDSACASA-N 1 0 319.361 0.534 10 0 DCAERO COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000157231062 522723987 /nfs/dbraw/zinc/72/39/87/522723987.db2.gz NYCOKZFINMXVMV-HNNXBMFYSA-N 1 0 321.421 0.380 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nn1 ZINC000157182717 523393339 /nfs/dbraw/zinc/39/33/39/523393339.db2.gz IFPZOBBKGJJKBM-CZUORRHYSA-N 1 0 322.409 0.621 10 0 DCAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)N3CCOCC3)[C@@H]2C1 ZINC000158281437 523725396 /nfs/dbraw/zinc/72/53/96/523725396.db2.gz FNXRAXDPTUXFKN-RBSFLKMASA-N 1 0 312.410 0.504 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000182920824 524009729 /nfs/dbraw/zinc/00/97/29/524009729.db2.gz PIBJQTVNAXGHNR-LSDHHAIUSA-N 1 0 324.446 0.853 10 0 DCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000262566768 526497145 /nfs/dbraw/zinc/49/71/45/526497145.db2.gz YBLJNBIDHLIPCN-YPMHNXCESA-N 1 0 311.332 0.336 10 0 DCAERO O=C(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCOCC1 ZINC000249819200 526502562 /nfs/dbraw/zinc/50/25/62/526502562.db2.gz DZHHGTGWZAXIMR-MJBXVCDLSA-N 1 0 309.410 0.272 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1=O ZINC000267552942 527076606 /nfs/dbraw/zinc/07/66/06/527076606.db2.gz CSTBBEVJOKIGGA-LLVKDONJSA-N 1 0 306.366 0.186 10 0 DCAERO CC[N@H+](CC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1)C1CC1 ZINC000275894024 527899932 /nfs/dbraw/zinc/89/99/32/527899932.db2.gz HWWSLAYCWJUUFF-OAHLLOKOSA-N 1 0 317.437 0.994 10 0 DCAERO CCOCCNC(=O)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000175960345 528764689 /nfs/dbraw/zinc/76/46/89/528764689.db2.gz GYNHYNOJHQQDTA-AWEZNQCLSA-N 1 0 301.431 0.182 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867635 528808637 /nfs/dbraw/zinc/80/86/37/528808637.db2.gz LBIVUZNFLKHKMW-STQMWFEESA-N 1 0 317.455 0.353 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@](C)(O)Cc3ccccc3)[C@@H]2C1 ZINC000285005419 536468794 /nfs/dbraw/zinc/46/87/94/536468794.db2.gz NLXPUOWKSOOBBR-SOLBZPMBSA-N 1 0 318.417 0.912 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(CO)c(F)c3)[C@H]2C1 ZINC000285127309 536480019 /nfs/dbraw/zinc/48/00/19/536480019.db2.gz VZVJOMWZECXJLM-LSDHHAIUSA-N 1 0 308.353 0.863 10 0 DCAERO COCC(=O)Nc1ccc2c(c1)OCC(=O)N2CC[NH+](C)C ZINC000016689638 536772649 /nfs/dbraw/zinc/77/26/49/536772649.db2.gz SWXXJMHPTDGVMX-UHFFFAOYSA-N 1 0 307.350 0.559 10 0 DCAERO NC(=O)[C@@]1([NH3+])CC[C@H](n2cc(I)cn2)C1 ZINC000086627133 545706718 /nfs/dbraw/zinc/70/67/18/545706718.db2.gz FFJZGGWZZZWWNT-IONNQARKSA-N 1 0 320.134 0.396 10 0 DCAERO CC1(OCC(=O)N2CCN(Cc3ccsc3)CC2)C[NH2+]C1 ZINC000098061582 545728673 /nfs/dbraw/zinc/72/86/73/545728673.db2.gz NZVKKTSNCYMYSM-UHFFFAOYSA-N 1 0 309.435 0.771 10 0 DCAERO C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@@H]1[NH+](C)C ZINC000123354685 545755711 /nfs/dbraw/zinc/75/57/11/545755711.db2.gz MOJDYKDTOGOSLQ-CABZTGNLSA-N 1 0 301.387 0.979 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](CO)C3)ccn2)CC1 ZINC000152193504 545822952 /nfs/dbraw/zinc/82/29/52/545822952.db2.gz DMBZPVDUZMKVPQ-AWEZNQCLSA-N 1 0 318.421 0.678 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000181395445 545902872 /nfs/dbraw/zinc/90/28/72/545902872.db2.gz WWHPSZUJQDNENO-CQSZACIVSA-N 1 0 307.442 0.971 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COCc1cccs1)C(C)C ZINC000183669746 545908814 /nfs/dbraw/zinc/90/88/14/545908814.db2.gz UIGBWUMXSOHTRR-DGCLKSJQSA-N 1 0 300.424 0.986 10 0 DCAERO C[N@H+](CCNC(=O)c1cc2c(cn1)nc[nH]c2=O)C1CCCC1 ZINC000189181952 545920494 /nfs/dbraw/zinc/92/04/94/545920494.db2.gz QNJINNXTEBTQPE-UHFFFAOYSA-N 1 0 315.377 0.922 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2ccnc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000248453277 545969284 /nfs/dbraw/zinc/96/92/84/545969284.db2.gz LBMFRGMKVDGEDI-SWLSCSKDSA-N 1 0 321.425 0.772 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000249117616 545970900 /nfs/dbraw/zinc/97/09/00/545970900.db2.gz SRDZJTPCDPCAKH-BYNSBNAKSA-N 1 0 309.410 0.053 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)no1 ZINC000261883654 545977839 /nfs/dbraw/zinc/97/78/39/545977839.db2.gz ZJZJYHJHYDTJMZ-CHWSQXEVSA-N 1 0 321.425 0.651 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1sccc1Br ZINC000262086005 545978581 /nfs/dbraw/zinc/97/85/81/545978581.db2.gz CQNFGJDEYYTDTQ-POYBYMJQSA-N 1 0 305.197 0.821 10 0 DCAERO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262202601 545980237 /nfs/dbraw/zinc/98/02/37/545980237.db2.gz IGMPBYYPHADYQV-DOTOQJQBSA-N 1 0 316.401 0.835 10 0 DCAERO C[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)NC(=O)C1CCCCC1 ZINC000262226255 545981191 /nfs/dbraw/zinc/98/11/91/545981191.db2.gz JVVPSPNVRRZNNB-BNOWGMLFSA-N 1 0 311.426 0.158 10 0 DCAERO O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262230444 545981294 /nfs/dbraw/zinc/98/12/94/545981294.db2.gz KFEYUTUCZJMMLM-GWCFXTLKSA-N 1 0 318.402 0.444 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000262258587 545981938 /nfs/dbraw/zinc/98/19/38/545981938.db2.gz LZGPTFWXKQHFKN-OQPBUACISA-N 1 0 305.309 0.390 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(N2CCCC2=O)ccc1F ZINC000262306406 545983026 /nfs/dbraw/zinc/98/30/26/545983026.db2.gz QAEVCWXIJRXTEW-QMTHXVAHSA-N 1 0 321.352 0.263 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000262326408 545983534 /nfs/dbraw/zinc/98/35/34/545983534.db2.gz RWAXNOFWBKGQHA-IMJJTQAJSA-N 1 0 320.389 0.555 10 0 DCAERO Cc1cc(Br)oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262348263 545984623 /nfs/dbraw/zinc/98/46/23/545984623.db2.gz UGYHXMLRTBKDLQ-HTQZYQBOSA-N 1 0 303.156 0.661 10 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/nfs/dbraw/zinc/74/72/83/548747283.db2.gz BJZHMSNEUOZAAF-GFCCVEGCSA-N 1 0 315.381 0.780 10 0 DCAERO Cc1noc(C)c1CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000722241476 660478465 /nfs/dbraw/zinc/47/84/65/660478465.db2.gz KXHDKHINCUVSFK-LLVKDONJSA-N 1 0 303.384 0.041 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000178555225 661263491 /nfs/dbraw/zinc/26/34/91/661263491.db2.gz QUFKDDZWRUANTE-LVDDQXARSA-N 1 0 323.418 0.879 10 0 DCAERO O=S(=O)(/C=C/c1ccc(F)cc1)NCCN1CC[NH2+]CC1 ZINC000178895974 657546626 /nfs/dbraw/zinc/54/66/26/657546626.db2.gz GSACGWKJRSJLFE-LFYBBSHMSA-N 1 0 313.398 0.621 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(F)(C2CC2)CC1 ZINC000724842400 657628874 /nfs/dbraw/zinc/62/88/74/657628874.db2.gz MZWAMAXPKCRABV-LBPRGKRZSA-N 1 0 306.403 0.519 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(F)(C2CC2)CC1 ZINC000724842399 657628956 /nfs/dbraw/zinc/62/89/56/657628956.db2.gz MZWAMAXPKCRABV-GFCCVEGCSA-N 1 0 306.403 0.519 10 0 DCAERO COC(=O)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)[nH]1 ZINC000723879728 657703101 /nfs/dbraw/zinc/70/31/01/657703101.db2.gz RDAIVCSBOODXKM-UHFFFAOYSA-N 1 0 302.396 0.962 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1CC[NH3+] ZINC000723896197 657730059 /nfs/dbraw/zinc/73/00/59/657730059.db2.gz XRCNBFSIMZDZQT-RKDXNWHRSA-N 1 0 306.819 0.679 10 0 DCAERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccccc1F ZINC000725025856 658030670 /nfs/dbraw/zinc/03/06/70/658030670.db2.gz CTMPNPLSFHSSKP-UHFFFAOYSA-N 1 0 302.371 0.954 10 0 DCAERO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255839336 658664365 /nfs/dbraw/zinc/66/43/65/658664365.db2.gz FACYCEVHLFSHCJ-UKRRQHHQSA-N 1 0 317.437 0.995 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000722222861 659389395 /nfs/dbraw/zinc/38/93/95/659389395.db2.gz DIPMYSDLFYGXEY-NEPJUHHUSA-N 1 0 304.412 0.343 10 0 DCAERO COc1ccccc1[C@@H](O)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000178751562 661535620 /nfs/dbraw/zinc/53/56/20/661535620.db2.gz MINVOZROJLUUND-AAEUAGOBSA-N 1 0 310.419 0.940 10 0 DCAERO COc1ccccc1[C@H](O)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000178751535 661535706 /nfs/dbraw/zinc/53/57/06/661535706.db2.gz MINVOZROJLUUND-DGCLKSJQSA-N 1 0 310.419 0.940 10 0 DCAERO C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000261730335 661580372 /nfs/dbraw/zinc/58/03/72/661580372.db2.gz FVHGHIVMFZCETB-SNVBAGLBSA-N 1 0 311.332 0.987 10 0 DCAERO NC(=O)N1CCC[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261743031 661599158 /nfs/dbraw/zinc/59/91/58/661599158.db2.gz OERWKYUQSLIEFE-OAHLLOKOSA-N 1 0 318.421 0.807 10 0 DCAERO CCOc1ccc(-n2ncc(C(=O)NC[C@@H](C)[NH2+]C)c2C)nn1 ZINC000261768161 661636809 /nfs/dbraw/zinc/63/68/09/661636809.db2.gz OZQRIYBKSSZOBQ-SNVBAGLBSA-N 1 0 318.381 0.707 10 0 DCAERO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000262052485 661996757 /nfs/dbraw/zinc/99/67/57/661996757.db2.gz WFTWLAWNTJHNRL-ZDUSSCGKSA-N 1 0 307.419 0.617 10 0 DCAERO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000178947321 662061901 /nfs/dbraw/zinc/06/19/01/662061901.db2.gz KIZLCMVIHDHYSD-VIFPVBQESA-N 1 0 314.798 0.970 10 0 DCAERO CCOC(=O)c1cnc(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000897535828 662855942 /nfs/dbraw/zinc/85/59/42/662855942.db2.gz PIXWGMDZAPMJDC-CMPLNLGQSA-N 1 0 322.365 0.399 10 0 DCAERO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000900578470 663256661 /nfs/dbraw/zinc/25/66/61/663256661.db2.gz WJSIMJKUZZHAJQ-CYBMUJFWSA-N 1 0 317.397 0.514 10 0 DCAERO CC(C)[NH+]1CCN(CCCC(=O)N2CCOC[C@@H]2CO)CC1 ZINC000912414737 664168295 /nfs/dbraw/zinc/16/82/95/664168295.db2.gz PLYKCXKBFJDZSY-HNNXBMFYSA-N 1 0 313.442 0.012 10 0 DCAERO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000163696432 664355865 /nfs/dbraw/zinc/35/58/65/664355865.db2.gz CICYTFRMJQXNMQ-YPMLDQLKSA-N 1 0 304.437 0.753 10 0 DCAERO O=C(c1cc2n(n1)CCCO2)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223756354 664421900 /nfs/dbraw/zinc/42/19/00/664421900.db2.gz KRGJWLZCUQBWNB-NSHDSACASA-N 1 0 318.377 0.796 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(N)nc3)CC[C@H]21 ZINC000227347757 664533566 /nfs/dbraw/zinc/53/35/66/664533566.db2.gz UYVIVBJXTINHQV-CMPLNLGQSA-N 1 0 311.411 0.164 10 0 DCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000228726728 664574261 /nfs/dbraw/zinc/57/42/61/664574261.db2.gz RSCZXLVMQZHQQK-UHIISALHSA-N 1 0 301.408 0.730 10 0 DCAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CSC(=O)N1 ZINC000174718208 664699660 /nfs/dbraw/zinc/69/96/60/664699660.db2.gz NZTIEUWSILVUEQ-GFCCVEGCSA-N 1 0 314.455 0.296 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000702355618 666940819 /nfs/dbraw/zinc/94/08/19/666940819.db2.gz HZDSMPKYFMKFAT-NEPJUHHUSA-N 1 0 319.327 0.485 10 0 DCAERO Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702844045 667010187 /nfs/dbraw/zinc/01/01/87/667010187.db2.gz HYKARAPTKNIWEH-AAEUAGOBSA-N 1 0 310.398 0.738 10 0 DCAERO CN1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702842293 667010313 /nfs/dbraw/zinc/01/03/13/667010313.db2.gz MZTUGHHIIJNVLO-JSGCOSHPSA-N 1 0 313.442 0.898 10 0 DCAERO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1 ZINC000702846686 667010738 /nfs/dbraw/zinc/01/07/38/667010738.db2.gz RMZLYTYPVIGKDD-JQWIXIFHSA-N 1 0 311.386 0.133 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 ZINC000862937651 667097075 /nfs/dbraw/zinc/09/70/75/667097075.db2.gz JUAZIHILWHAWSE-OLZOCXBDSA-N 1 0 304.354 0.212 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@H]2[NH3+])c1 ZINC000864343528 667245701 /nfs/dbraw/zinc/24/57/01/667245701.db2.gz RLVDNQFVLVXLCH-VXGBXAGGSA-N 1 0 322.800 0.613 10 0 DCAERO C[C@H]1CN(C(=O)c2cnn(C)c2Br)C[C@H]1C[NH3+] ZINC000708842799 667443955 /nfs/dbraw/zinc/44/39/55/667443955.db2.gz HOJWIYNWNNPJRR-JGVFFNPUSA-N 1 0 301.188 0.849 10 0 DCAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000710960111 667447416 /nfs/dbraw/zinc/44/74/16/667447416.db2.gz MLJLZOJZQBJWSN-LBPRGKRZSA-N 1 0 306.428 0.542 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711906078 667550651 /nfs/dbraw/zinc/55/06/51/667550651.db2.gz GGCNNXAUCRGHJM-HZSPNIEDSA-N 1 0 302.440 0.815 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2nnn(C)c2C)C1 ZINC000886093745 667731782 /nfs/dbraw/zinc/73/17/82/667731782.db2.gz GCQGXAYXZBCSJH-MCIONIFRSA-N 1 0 321.425 0.837 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000717050150 667855255 /nfs/dbraw/zinc/85/52/55/667855255.db2.gz QTCCJPBDHVRZDZ-WDEREUQCSA-N 1 0 311.398 0.798 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000124515204 668078019 /nfs/dbraw/zinc/07/80/19/668078019.db2.gz NHXSUBIHDOIDCQ-DTWKUNHWSA-N 1 0 306.819 0.788 10 0 DCAERO [NH3+][C@H]1CN(S(=O)(=O)N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000717066750 668200768 /nfs/dbraw/zinc/20/07/68/668200768.db2.gz OCXGRJOLSAGZHC-IUCAKERBSA-N 1 0 301.334 0.539 10 0 DCAERO COC(=O)c1coc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000130724533 669639141 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CS(=O)(=O)N1CC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194185242 670410691 /nfs/dbraw/zinc/41/06/91/670410691.db2.gz MLJVSZBTFUXBMS-JHJVBQTASA-N 1 0 300.424 0.425 10 0 DCAERO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](C2CC2)CC1 ZINC000195477653 670495301 /nfs/dbraw/zinc/49/53/01/670495301.db2.gz QWORQQRDMXOQRL-UHFFFAOYSA-N 1 0 306.410 0.979 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NOCc1cccnc1 ZINC000121386599 671583124 /nfs/dbraw/zinc/58/31/24/671583124.db2.gz PYECUVPSTHUCBE-AWEZNQCLSA-N 1 0 308.382 0.923 10 0 DCAERO CCC(CC)(CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)SC ZINC000394031612 685266193 /nfs/dbraw/zinc/26/61/93/685266193.db2.gz ISNMRMABMCGJOQ-LLVKDONJSA-N 1 0 310.485 0.816 10 0 DCAERO CC(C)(C)S(=O)(=O)CCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000718728478 685305572 /nfs/dbraw/zinc/30/55/72/685305572.db2.gz LUTNIMJKTCXMAO-CYBMUJFWSA-N 1 0 306.472 0.636 10 0 DCAERO CC(C)(CCS(=O)(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000717981196 685303673 /nfs/dbraw/zinc/30/36/73/685303673.db2.gz CDRQHUUHHICKTA-UHFFFAOYSA-N 1 0 303.472 0.637 10 0 DCAERO CCCS(=O)(=O)CCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720817733 685315593 /nfs/dbraw/zinc/31/55/93/685315593.db2.gz RYVNGAMZIZWFRR-VHSXEESVSA-N 1 0 302.362 0.880 10 0 DCAERO CCN(CC)S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720802445 685314401 /nfs/dbraw/zinc/31/44/01/685314401.db2.gz BZARJPJEJORDBS-IUCAKERBSA-N 1 0 303.350 0.642 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000719001759 685306851 /nfs/dbraw/zinc/30/68/51/685306851.db2.gz QUUSNKYWDXOGCA-STQMWFEESA-N 1 0 318.439 0.353 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721021035 685317019 /nfs/dbraw/zinc/31/70/19/685317019.db2.gz OKAKAUTVHUBWGE-IJEWVQPXSA-N 1 0 301.390 0.746 10 0 DCAERO CO[C@@]1(C[NH2+]Cc2cncn2C(C)C)CCS(=O)(=O)C1 ZINC000721231226 685318070 /nfs/dbraw/zinc/31/80/70/685318070.db2.gz ULWDMFMHEPXVME-CYBMUJFWSA-N 1 0 301.412 0.757 10 0 DCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190204135 685152647 /nfs/dbraw/zinc/15/26/47/685152647.db2.gz CSFQPFKWQOLGIF-CYBMUJFWSA-N 1 0 318.439 0.543 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000249726424 685183841 /nfs/dbraw/zinc/18/38/41/685183841.db2.gz OZHVBGPDNLORAN-CABCVRRESA-N 1 0 312.435 0.908 10 0 DCAERO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H]1CCCCO1 ZINC000381993489 685240037 /nfs/dbraw/zinc/24/00/37/685240037.db2.gz HEHZLPYGBNFNHO-OLZOCXBDSA-N 1 0 306.428 0.196 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251022922 1157805190 /nfs/dbraw/zinc/80/51/90/1157805190.db2.gz ZRXAELFMJGGFAM-XQHKEYJVSA-N 1 0 302.440 0.847 10 0 DCAERO CC[NH+]1CCN(C2CN(C(=O)Cc3c(C)noc3C)C2)CC1 ZINC000585559291 1158113078 /nfs/dbraw/zinc/11/30/78/1158113078.db2.gz QVNMABSHBVTIGB-UHFFFAOYSA-N 1 0 306.410 0.682 10 0 DCAERO CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc(C[NH3+])n2)C1 ZINC000071696497 1173831837 /nfs/dbraw/zinc/83/18/37/1173831837.db2.gz VCXVICVYFMKIJB-JTQLQIEISA-N 1 0 311.407 0.946 10 0 DCAERO C[NH+](C)CCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000242549621 1182588916 /nfs/dbraw/zinc/58/89/16/1182588916.db2.gz CAIQQAZXPQTKGO-UHFFFAOYSA-N 1 0 317.386 0.172 10 0 DCAERO NC(=O)C1CCN(C(=O)C2CC[NH+](CCCCO)CC2)CC1 ZINC000171064594 1183710640 /nfs/dbraw/zinc/71/06/40/1183710640.db2.gz QXXJJJRCNAUYHT-UHFFFAOYSA-N 1 0 311.426 0.195 10 0 DCAERO CN(CC(N)=O)C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000275715195 529852302 /nfs/dbraw/zinc/85/23/02/529852302.db2.gz OAMUUAUSOIJMLT-AWEZNQCLSA-N 1 0 316.405 0.786 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cc2cc(=O)n3ccsc3n2)CCO1 ZINC000107304867 185475357 /nfs/dbraw/zinc/47/53/57/185475357.db2.gz XOXMUJXIOUZHRR-LBPRGKRZSA-N 1 0 308.407 0.518 10 0 DCAERO COC[C@@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171534058 186171341 /nfs/dbraw/zinc/17/13/41/186171341.db2.gz RVDKLPICPXDHAA-CYBMUJFWSA-N 1 0 306.410 0.732 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000173349471 186179563 /nfs/dbraw/zinc/17/95/63/186179563.db2.gz 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198296943 /nfs/dbraw/zinc/29/69/43/198296943.db2.gz KHRKGCNEPMZMSZ-ZDUSSCGKSA-N 1 0 311.451 0.753 10 0 DCAERO NC(=O)C[C@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408454460 283295185 /nfs/dbraw/zinc/29/51/85/283295185.db2.gz XSTIYEUFSABIQT-KGLIPLIRSA-N 1 0 309.410 0.496 10 0 DCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-n2cnnn2)cc1 ZINC000180487388 199165296 /nfs/dbraw/zinc/16/52/96/199165296.db2.gz IPJIQZGJFVWABW-IUODEOHRSA-N 1 0 302.382 0.644 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)nc2n1 ZINC000155393652 237042567 /nfs/dbraw/zinc/04/25/67/237042567.db2.gz ZQCYFPOVOJENJA-STQMWFEESA-N 1 0 316.409 0.835 10 0 DCAERO C[C@H](NC(=O)CN1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000171689011 237138578 /nfs/dbraw/zinc/13/85/78/237138578.db2.gz ANKPNUFQCDEQLT-STQMWFEESA-N 1 0 313.467 0.941 10 0 DCAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2(CCO)CC2)c1 ZINC000186531490 237314833 /nfs/dbraw/zinc/31/48/33/237314833.db2.gz IDNUIVXDNMPAHF-UHFFFAOYSA-N 1 0 319.405 0.966 10 0 DCAERO C[C@H]1CN(Cc2nccn2CC(F)(F)F)CC[N@@H+]1CCO ZINC000187708388 237354867 /nfs/dbraw/zinc/35/48/67/237354867.db2.gz JBVUCALAARNXOG-NSHDSACASA-N 1 0 306.332 0.944 10 0 DCAERO COc1cccc(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000188432351 200245948 /nfs/dbraw/zinc/24/59/48/200245948.db2.gz QQWMHZHUXNZNBU-UHFFFAOYSA-N 1 0 307.394 0.548 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc(N(C)C)nc1 ZINC000155024630 291217750 /nfs/dbraw/zinc/21/77/50/291217750.db2.gz ASTWKOGTHHXHEA-ZDUSSCGKSA-N 1 0 322.413 0.775 10 0 DCAERO CC[NH+]1CCN(c2ccc(C(=O)NCCOCCO)cc2)CC1 ZINC000158511134 291231608 /nfs/dbraw/zinc/23/16/08/291231608.db2.gz BIUUVUVSBOJJLQ-UHFFFAOYSA-N 1 0 321.421 0.567 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCCC2(C1)OCCO2 ZINC000179437143 296018096 /nfs/dbraw/zinc/01/80/96/296018096.db2.gz GKRBKQMQRMIRAL-HNNXBMFYSA-N 1 0 324.421 0.995 10 0 DCAERO C[C@H](CNC(=O)C(=O)Nc1cnc(N(C)C)nc1)[N@H+](C)C1CC1 ZINC000164140644 291247777 /nfs/dbraw/zinc/24/77/77/291247777.db2.gz QRDMLANXTPYQPQ-SNVBAGLBSA-N 1 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291478385 /nfs/dbraw/zinc/47/83/85/291478385.db2.gz OQBXOVLGXNTGJP-RYUDHWBXSA-N 1 0 305.378 0.118 10 0 DCAERO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000122159906 284223505 /nfs/dbraw/zinc/22/35/05/284223505.db2.gz YNVJWPTXQXHSIQ-KBPBESRZSA-N 1 0 301.394 0.923 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000571999502 291543641 /nfs/dbraw/zinc/54/36/41/291543641.db2.gz GFSPQJCSIXLDQU-NSHDSACASA-N 1 0 305.334 0.126 10 0 DCAERO CC[N@H+](C)CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000251663028 284337918 /nfs/dbraw/zinc/33/79/18/284337918.db2.gz IDJYIPAYFVVVRM-LSDHHAIUSA-N 1 0 323.437 0.496 10 0 DCAERO CC(C)N(CC[NH3+])S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000020183336 182194943 /nfs/dbraw/zinc/19/49/43/182194943.db2.gz LTDAUUJBENSNNF-UHFFFAOYSA-N 1 0 300.380 0.816 10 0 DCAERO NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000037041634 182863985 /nfs/dbraw/zinc/86/39/85/182863985.db2.gz XWQLSCBRZFICDV-SECBINFHSA-N 1 0 303.771 0.678 10 0 DCAERO 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/nfs/dbraw/zinc/68/53/55/252685355.db2.gz CBULDRREAJIXLT-ZDUSSCGKSA-N 1 0 320.441 0.988 10 0 DCAERO CN(C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333150567 252688070 /nfs/dbraw/zinc/68/80/70/252688070.db2.gz FDIZEZDMDHUXBM-QRJUGERDSA-N 1 0 301.390 0.546 10 0 DCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000333352477 252710638 /nfs/dbraw/zinc/71/06/38/252710638.db2.gz BIOSTXBGVQODLV-MJBXVCDLSA-N 1 0 307.398 0.773 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)n(C)n1 ZINC000333677044 252751178 /nfs/dbraw/zinc/75/11/78/252751178.db2.gz ZBZZZTKKXDQEAX-CHWSQXEVSA-N 1 0 306.414 0.358 10 0 DCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000333718100 252755984 /nfs/dbraw/zinc/75/59/84/252755984.db2.gz UCMLPUSRRQXNFB-ZNMIVQPWSA-N 1 0 316.405 0.662 10 0 DCAERO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333631080 252745809 /nfs/dbraw/zinc/74/58/09/252745809.db2.gz SSDLMRPPONDISM-LBPRGKRZSA-N 1 0 306.410 0.535 10 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/nfs/dbraw/zinc/38/87/25/285388725.db2.gz VOPMTURDWONAIG-AGIUHOORSA-N 1 0 319.471 0.791 10 0 DCAERO CCOCC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000275841060 130397517 /nfs/dbraw/zinc/39/75/17/130397517.db2.gz XRCISNKHOXHXBB-KBPBESRZSA-N 1 0 312.389 0.827 10 0 DCAERO CC1(C)C[N@H+](CCC(=O)N2CCOCC2)C[C@]2(CCOC2)O1 ZINC000369549356 131138183 /nfs/dbraw/zinc/13/81/83/131138183.db2.gz IETQQBABKTYWBE-INIZCTEOSA-N 1 0 312.410 0.505 10 0 DCAERO CCn1cnc2c1ncnc2N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285110099 131139581 /nfs/dbraw/zinc/13/95/81/131139581.db2.gz QZJVHIXKRWNBNY-VXGBXAGGSA-N 1 0 302.382 0.756 10 0 DCAERO COc1cccc([C@@H](O)C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000164221188 132132588 /nfs/dbraw/zinc/13/25/88/132132588.db2.gz OQSWSYSSBCLSHG-HZPDHXFCSA-N 1 0 320.389 0.708 10 0 DCAERO C[NH2+]CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000037811363 395728645 /nfs/dbraw/zinc/72/86/45/395728645.db2.gz PNKKELBLDMAJMN-UHFFFAOYSA-N 1 0 313.199 0.712 10 0 DCAERO 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395846044 /nfs/dbraw/zinc/84/60/44/395846044.db2.gz ICUZRZYLLGZSKH-LRTDBIEQSA-N 1 0 310.419 0.827 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC000219686857 395846230 /nfs/dbraw/zinc/84/62/30/395846230.db2.gz QBVOJCKBOFBBKC-UHFFFAOYSA-N 1 0 301.312 0.968 10 0 DCAERO C[C@@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000116982170 395850545 /nfs/dbraw/zinc/85/05/45/395850545.db2.gz JVMDFGRXOUEDBA-RNJOBUHISA-N 1 0 317.455 0.398 10 0 DCAERO Cc1cnn(CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000118057133 395857247 /nfs/dbraw/zinc/85/72/47/395857247.db2.gz AVJUXNBRRHVLQW-GJZGRUSLSA-N 1 0 323.441 0.990 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811494 395798866 /nfs/dbraw/zinc/79/88/66/395798866.db2.gz DPKOTVNLHUEQAL-JSGCOSHPSA-N 1 0 310.442 0.138 10 0 DCAERO CC(C)C[C@@H](C[NH3+])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000236639754 395895151 /nfs/dbraw/zinc/89/51/51/395895151.db2.gz ICDKUZSHHQDHIJ-NSHDSACASA-N 1 0 318.377 0.179 10 0 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395950046 /nfs/dbraw/zinc/95/00/46/395950046.db2.gz SOCWOQSNIISGST-CVEARBPZSA-N 1 0 324.469 0.977 10 0 DCAERO CN1C[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)CCC1=O ZINC000137179590 395950259 /nfs/dbraw/zinc/95/02/59/395950259.db2.gz PGVHHBKPODSSSG-ZDUSSCGKSA-N 1 0 320.393 0.373 10 0 DCAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1)CS(C)(=O)=O ZINC000246489575 395951510 /nfs/dbraw/zinc/95/15/10/395951510.db2.gz IEFNECABFDNVSN-MGPQQGTHSA-N 1 0 304.456 0.320 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000246570515 395952724 /nfs/dbraw/zinc/95/27/24/395952724.db2.gz RTFOENNDOQNWRH-FVCCEPFGSA-N 1 0 312.414 0.047 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000246898194 395960143 /nfs/dbraw/zinc/96/01/43/395960143.db2.gz HOAOFSWVRMJZQI-MCIONIFRSA-N 1 0 302.440 0.911 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)C1 ZINC000246992657 395963022 /nfs/dbraw/zinc/96/30/22/395963022.db2.gz HTUDDIBKVQYRFP-BFHYXJOUSA-N 1 0 301.431 0.659 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000247196936 395968559 /nfs/dbraw/zinc/96/85/59/395968559.db2.gz WXCAEKICMSBPIQ-CVEARBPZSA-N 1 0 308.426 0.349 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000247285452 395970444 /nfs/dbraw/zinc/97/04/44/395970444.db2.gz ZRIWTNPLWSPKED-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000150754062 395972086 /nfs/dbraw/zinc/97/20/86/395972086.db2.gz KQKXBBSZHMIATC-GDBMZVCRSA-N 1 0 314.389 0.828 10 0 DCAERO O[C@@H](CN1CCOCC1)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000247369103 395972332 /nfs/dbraw/zinc/97/23/32/395972332.db2.gz NKBCPXSJTUGGQV-QGZVFWFLSA-N 1 0 311.470 0.630 10 0 DCAERO CC[C@@H]1CN([C@H](C)C(=O)NCCCOC)CC[N@@H+]1CCOC ZINC000247438618 395973612 /nfs/dbraw/zinc/97/36/12/395973612.db2.gz ZOPFTRATHFRKGX-HUUCEWRRSA-N 1 0 315.458 0.570 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(=O)NC1CC1 ZINC000247553227 395976015 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/nfs/dbraw/zinc/05/79/73/396057973.db2.gz GDWJXPJEXZEODD-UHFFFAOYSA-N 1 0 316.405 0.087 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000156136802 396061128 /nfs/dbraw/zinc/06/11/28/396061128.db2.gz VJNSLGUEDXBVGU-JQWIXIFHSA-N 1 0 311.407 0.547 10 0 DCAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000159259225 396067137 /nfs/dbraw/zinc/06/71/37/396067137.db2.gz AAMIZURENOADSR-IHRRRGAJSA-N 1 0 304.456 0.893 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576643 396009428 /nfs/dbraw/zinc/00/94/28/396009428.db2.gz PQJQFFCFFLVDGB-MVWJERBFSA-N 1 0 311.407 0.600 10 0 DCAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000066652638 396013049 /nfs/dbraw/zinc/01/30/49/396013049.db2.gz QYMRWUOHOYJXKV-YPMHNXCESA-N 1 0 311.451 0.756 10 0 DCAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000069129396 396070663 /nfs/dbraw/zinc/07/06/63/396070663.db2.gz RKKOPTPPDCRRMQ-UTUOFQBUSA-N 1 0 305.444 0.413 10 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/nfs/dbraw/zinc/09/95/98/396099598.db2.gz GYLXFUVWUKXZJS-NSHDSACASA-N 1 0 312.395 0.502 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000171023566 396103899 /nfs/dbraw/zinc/10/38/99/396103899.db2.gz YNQODRXVGJZFDO-SNVBAGLBSA-N 1 0 311.411 0.234 10 0 DCAERO COc1cc(NC(=O)CN(C)C(=O)[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000262151432 396104155 /nfs/dbraw/zinc/10/41/55/396104155.db2.gz ROKISPSQOUQXJH-AWEZNQCLSA-N 1 0 321.377 0.853 10 0 DCAERO Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cn1 ZINC000278941055 396142295 /nfs/dbraw/zinc/14/22/95/396142295.db2.gz UKLWCFZMQFGISU-CJNGLKHVSA-N 1 0 317.393 0.128 10 0 DCAERO Cn1cc(CCCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000171341647 396114545 /nfs/dbraw/zinc/11/45/45/396114545.db2.gz VNCZGIUCKHDSTL-OAHLLOKOSA-N 1 0 323.441 0.499 10 0 DCAERO CN(CC(=O)NCc1ccccc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262272058 396116801 /nfs/dbraw/zinc/11/68/01/396116801.db2.gz NBRCJZBINGTXGU-UHFFFAOYSA-N 1 0 319.405 0.517 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000262286980 396118213 /nfs/dbraw/zinc/11/82/13/396118213.db2.gz MSOMUZDDLPBUIQ-IUCAKERBSA-N 1 0 317.436 0.529 10 0 DCAERO CCOC(=O)c1ccc(N2CC(NC3=[NH+]CCCN3)C2)nc1 ZINC000262291965 396119058 /nfs/dbraw/zinc/11/90/58/396119058.db2.gz XXFFOXZQEYYWHV-UHFFFAOYSA-N 1 0 303.366 0.386 10 0 DCAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCCOC2)c1 ZINC000171625218 396120829 /nfs/dbraw/zinc/12/08/29/396120829.db2.gz NOHZXXNHXYLOMB-AWEZNQCLSA-N 1 0 305.378 0.982 10 0 DCAERO CCOC[C@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000171611093 396120893 /nfs/dbraw/zinc/12/08/93/396120893.db2.gz DNYNAMWJOHNYEP-MRXNPFEDSA-N 1 0 321.421 0.301 10 0 DCAERO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262348562 396128624 /nfs/dbraw/zinc/12/86/24/396128624.db2.gz HBLLTLKDOGXUHH-KBPBESRZSA-N 1 0 310.442 0.043 10 0 DCAERO CC1CCC(N2C[C@H](C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CC2=O)CC1 ZINC000262380904 396133420 /nfs/dbraw/zinc/13/34/20/396133420.db2.gz 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396085097 /nfs/dbraw/zinc/08/50/97/396085097.db2.gz PZTRWUDUMAKWLX-CYBMUJFWSA-N 1 0 311.426 0.649 10 0 DCAERO CNC(=O)c1cccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263229067 396207883 /nfs/dbraw/zinc/20/78/83/396207883.db2.gz NENDPKDVIQADMI-LBPRGKRZSA-N 1 0 301.350 0.672 10 0 DCAERO CN1C(=O)C[C@H](NC(=O)C2C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000263258260 396209075 /nfs/dbraw/zinc/20/90/75/396209075.db2.gz FZQZSAKQTDOEDS-GXTWGEPZSA-N 1 0 307.781 0.947 10 0 DCAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC(CO)CO ZINC000073903052 396153590 /nfs/dbraw/zinc/15/35/90/396153590.db2.gz IHWDGKOOIDVGJY-MRXNPFEDSA-N 1 0 321.421 0.694 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000262624352 396163588 /nfs/dbraw/zinc/16/35/88/396163588.db2.gz ZZVMXFFTGFWVTO-KGLIPLIRSA-N 1 0 309.410 0.226 10 0 DCAERO CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)[NH3+])c1 ZINC000262624718 396163733 /nfs/dbraw/zinc/16/37/33/396163733.db2.gz DEIINDYQTAAUMJ-VIFPVBQESA-N 1 0 315.395 0.708 10 0 DCAERO COc1cccc(C[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000263259902 396210540 /nfs/dbraw/zinc/21/05/40/396210540.db2.gz SHTOETLHSSNBRF-LRDDRELGSA-N 1 0 321.421 0.842 10 0 DCAERO CNC(=O)c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000074764479 396171240 /nfs/dbraw/zinc/17/12/40/396171240.db2.gz IYVDGHRJHLVXJH-GFCCVEGCSA-N 1 0 319.409 0.749 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)CSC[C@H](O)CO)c1ccccc1 ZINC000177408583 396174548 /nfs/dbraw/zinc/17/45/48/396174548.db2.gz HDCCDEUBXPADBX-ZIAGYGMSSA-N 1 0 312.435 0.492 10 0 DCAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000263291622 396211953 /nfs/dbraw/zinc/21/19/53/396211953.db2.gz LPBFBMAONCVYTR-LLVKDONJSA-N 1 0 317.389 0.741 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262909185 396191602 /nfs/dbraw/zinc/19/16/02/396191602.db2.gz QMWHISZACBUSDQ-KGLIPLIRSA-N 1 0 305.378 0.662 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000263083786 396200683 /nfs/dbraw/zinc/20/06/83/396200683.db2.gz 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396214613 /nfs/dbraw/zinc/21/46/13/396214613.db2.gz FGAWLVSUJZFCLH-UHFFFAOYSA-N 1 0 305.382 0.166 10 0 DCAERO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000178943916 396215816 /nfs/dbraw/zinc/21/58/16/396215816.db2.gz OGCILYQQBATVNQ-SNVBAGLBSA-N 1 0 318.420 0.073 10 0 DCAERO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000179184463 396223793 /nfs/dbraw/zinc/22/37/93/396223793.db2.gz FASBAEQUVXIGQJ-UKRRQHHQSA-N 1 0 303.406 0.883 10 0 DCAERO c1nc(NCCCC[NH+]2CCOCC2)cc(N2CCOCC2)n1 ZINC000265416793 396315619 /nfs/dbraw/zinc/31/56/19/396315619.db2.gz HECARZXFMWBMMP-UHFFFAOYSA-N 1 0 321.425 0.838 10 0 DCAERO Cc1c(O)ccc2c(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)cc(=O)oc12 ZINC000185143336 396319499 /nfs/dbraw/zinc/31/94/99/396319499.db2.gz PNLIKFZTLFSLMT-NEPJUHHUSA-N 1 0 305.330 0.735 10 0 DCAERO C[C@H]1OCC[C@@H]1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000184428410 396294915 /nfs/dbraw/zinc/29/49/15/396294915.db2.gz OSUBPNXFGOZOBB-KGLIPLIRSA-N 1 0 319.471 0.063 10 0 DCAERO 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ZINC000188957597 396389198 /nfs/dbraw/zinc/38/91/98/396389198.db2.gz ZBSJQFVAPXERFU-AWEZNQCLSA-N 1 0 300.362 0.827 10 0 DCAERO O=C(NC1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188977480 396389418 /nfs/dbraw/zinc/38/94/18/396389418.db2.gz VFJDAZQKVJUQCG-BXUZGUMPSA-N 1 0 323.343 0.805 10 0 DCAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC(CO)C2)[C@H](C)C1 ZINC000189018010 396389694 /nfs/dbraw/zinc/38/96/94/396389694.db2.gz ZCQLFXMFISWZAE-UKRRQHHQSA-N 1 0 313.442 0.757 10 0 DCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190217458 396403262 /nfs/dbraw/zinc/40/32/62/396403262.db2.gz PYLGDSJNSKFJQK-GFCCVEGCSA-N 1 0 308.426 0.781 10 0 DCAERO CCN1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1=O ZINC000191514929 396420828 /nfs/dbraw/zinc/42/08/28/396420828.db2.gz QWPPPCZXFMLPKG-UHFFFAOYSA-N 1 0 318.377 0.335 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCC(=O)N1CCOCC1 ZINC000192481514 396431796 /nfs/dbraw/zinc/43/17/96/396431796.db2.gz RBEADILBTGWCJC-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 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ZINC000571617285 396970055 /nfs/dbraw/zinc/97/00/55/396970055.db2.gz BJCMCFOMRWAEBV-ZDUSSCGKSA-N 1 0 310.394 0.530 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000378016477 397179699 /nfs/dbraw/zinc/17/96/99/397179699.db2.gz DSFIOAPGNMPYMQ-XGUBFFRZSA-N 1 0 322.453 0.977 10 0 DCAERO CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000619276092 397110895 /nfs/dbraw/zinc/11/08/95/397110895.db2.gz ROVRHCRNZRDIJC-NJZAAPMLSA-N 1 0 319.409 0.433 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1C1CCCC1 ZINC000381107102 397271355 /nfs/dbraw/zinc/27/13/55/397271355.db2.gz DGAPJHQQJMKZAY-KGLIPLIRSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000381447142 397272817 /nfs/dbraw/zinc/27/28/17/397272817.db2.gz GFVFTHFGVFOAAQ-IUCAKERBSA-N 1 0 306.409 0.104 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000382453040 397273917 /nfs/dbraw/zinc/27/39/17/397273917.db2.gz 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158132252 /nfs/dbraw/zinc/13/22/52/158132252.db2.gz XMIJDVHGKIADAC-LBPRGKRZSA-N 1 0 319.409 0.972 10 0 DCAERO CCCC(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107282151 158134770 /nfs/dbraw/zinc/13/47/70/158134770.db2.gz RDEBVIWKIPTOTP-HNNXBMFYSA-N 1 0 324.469 0.531 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@H](C)O)CC2)C1 ZINC000111286043 158140549 /nfs/dbraw/zinc/14/05/49/158140549.db2.gz KMRRUDRPJQWXSX-SWLSCSKDSA-N 1 0 311.426 0.206 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1C(=O)CCC1=O ZINC000114029975 158150032 /nfs/dbraw/zinc/15/00/32/158150032.db2.gz IUWJLGGBLLKBRV-NWDGAFQWSA-N 1 0 308.382 0.014 10 0 DCAERO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246088 158164223 /nfs/dbraw/zinc/16/42/23/158164223.db2.gz KWLWVTCKXHLNFC-BBRMVZONSA-N 1 0 318.421 0.887 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000116791510 158167241 /nfs/dbraw/zinc/16/72/41/158167241.db2.gz PXPZDSRAPMDLKC-GJZGRUSLSA-N 1 0 323.437 0.424 10 0 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ZINC000136269638 158343179 /nfs/dbraw/zinc/34/31/79/158343179.db2.gz KLJFLOTYLVLEQS-KBPBESRZSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@@H](Sc1nncn1C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148902622 158346942 /nfs/dbraw/zinc/34/69/42/158346942.db2.gz FJUXLFDYUBVVGM-LLVKDONJSA-N 1 0 309.439 0.992 10 0 DCAERO Cc1nccn1-c1cncc(N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000161985747 158359338 /nfs/dbraw/zinc/35/93/38/158359338.db2.gz VDKUJFFXDYUBTE-ZDUSSCGKSA-N 1 0 302.382 0.738 10 0 DCAERO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)no1 ZINC000168383370 158372343 /nfs/dbraw/zinc/37/23/43/158372343.db2.gz BRVWZZYHGIVSEF-OLZOCXBDSA-N 1 0 307.398 0.540 10 0 DCAERO CN1CCO[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170921881 158378811 /nfs/dbraw/zinc/37/88/11/158378811.db2.gz KLYBXRZPMCUDIL-OAHLLOKOSA-N 1 0 310.442 0.491 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000171380062 158382458 /nfs/dbraw/zinc/38/24/58/158382458.db2.gz HOWOUETUFXSXQW-ZIAGYGMSSA-N 1 0 310.394 0.366 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000171596827 158384734 /nfs/dbraw/zinc/38/47/34/158384734.db2.gz WALXDQUOEYVZTG-OAHLLOKOSA-N 1 0 312.458 0.882 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000171865734 158387435 /nfs/dbraw/zinc/38/74/35/158387435.db2.gz YOIXIWFLRPJZRH-ZDUSSCGKSA-N 1 0 306.414 0.765 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)C(C)C ZINC000171944864 158388294 /nfs/dbraw/zinc/38/82/94/158388294.db2.gz AOIBWPSIBFUXDE-UKRRQHHQSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000172055494 158390162 /nfs/dbraw/zinc/39/01/62/158390162.db2.gz VGKZIRDAWJDMTG-TZMCWYRMSA-N 1 0 312.377 0.971 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000172242743 158392354 /nfs/dbraw/zinc/39/23/54/158392354.db2.gz MZPNCPKKVHGYLP-UONOGXRCSA-N 1 0 324.425 0.113 10 0 DCAERO C[C@H](CNC(=O)CNC(=O)c1ccccn1)C[NH+]1CCCC1 ZINC000172518621 158394671 /nfs/dbraw/zinc/39/46/71/158394671.db2.gz ZUTBJYDSJNAAFJ-CYBMUJFWSA-N 1 0 304.394 0.660 10 0 DCAERO COCCN1C[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC1=O ZINC000193521765 158584982 /nfs/dbraw/zinc/58/49/82/158584982.db2.gz TZZZKFZGLZFNBN-AWEZNQCLSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCn1nc2ccccn2c1=O ZINC000193644524 158588041 /nfs/dbraw/zinc/58/80/41/158588041.db2.gz FTENOKGCNFCREU-NEPJUHHUSA-N 1 0 303.366 0.143 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H]1[NH3+] ZINC000235414195 158632275 /nfs/dbraw/zinc/63/22/75/158632275.db2.gz ZLHKEZXIKQGMKY-SKDRFNHKSA-N 1 0 308.359 0.761 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCN1C(=O)NC(C)(C)C1=O ZINC000247315567 158681047 /nfs/dbraw/zinc/68/10/47/158681047.db2.gz OHFYJRQPMQEODM-STQMWFEESA-N 1 0 308.426 0.875 10 0 DCAERO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247505763 158683888 /nfs/dbraw/zinc/68/38/88/158683888.db2.gz OMKCURYAJHWSJL-HUUCEWRRSA-N 1 0 323.437 0.208 10 0 DCAERO [NH3+][C@H](C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C1CCOCC1 ZINC000261843707 158744916 /nfs/dbraw/zinc/74/49/16/158744916.db2.gz QVHSWOPQNFERDG-PWSUYJOCSA-N 1 0 323.359 0.741 10 0 DCAERO O=C(Cc1ccccc1)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261888733 158750470 /nfs/dbraw/zinc/75/04/70/158750470.db2.gz UYJZRGRMAXOXMV-IYBDPMFKSA-N 1 0 315.417 0.803 10 0 DCAERO CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1c(C)nn(C)c1C ZINC000262219745 158786547 /nfs/dbraw/zinc/78/65/47/158786547.db2.gz UKSAACQDFJEDEF-DOMZBBRYSA-N 1 0 323.441 0.704 10 0 DCAERO CC1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cn2)CC1 ZINC000262250110 158790683 /nfs/dbraw/zinc/79/06/83/158790683.db2.gz LNNGFDIFPGCUGA-LSDHHAIUSA-N 1 0 318.421 0.628 10 0 DCAERO Cc1ccnn1-c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262330291 158799284 /nfs/dbraw/zinc/79/92/84/158799284.db2.gz SEQUZHNXKJDMSC-UKRRQHHQSA-N 1 0 300.362 0.491 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000262380745 158807366 /nfs/dbraw/zinc/80/73/66/158807366.db2.gz LMFFPEDBZZAULJ-SOUVJXGZSA-N 1 0 323.437 0.472 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000262380743 158807378 /nfs/dbraw/zinc/80/73/78/158807378.db2.gz LMFFPEDBZZAULJ-KKUMJFAQSA-N 1 0 323.437 0.472 10 0 DCAERO COC(=O)CSCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262508412 158820267 /nfs/dbraw/zinc/82/02/67/158820267.db2.gz CGZJIELBGLUFJR-TUAOUCFPSA-N 1 0 300.424 0.930 10 0 DCAERO C[C@H]1[NH2+]CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@@H]1C ZINC000262697998 158834096 /nfs/dbraw/zinc/83/40/96/158834096.db2.gz ADVUPLGZNCAVQX-VXGBXAGGSA-N 1 0 314.389 0.685 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000262852210 158845324 /nfs/dbraw/zinc/84/53/24/158845324.db2.gz SMDZRTYKSJPKSN-GHMZBOCLSA-N 1 0 310.398 0.211 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2sccc2-n2cnnn2)n1 ZINC000263150585 158858220 /nfs/dbraw/zinc/85/82/20/158858220.db2.gz DAJWLXAOIVVHCD-SECBINFHSA-N 1 0 318.366 0.350 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328723010 159024079 /nfs/dbraw/zinc/02/40/79/159024079.db2.gz SFCWNHPBZIIHCF-ZBFHGGJFSA-N 1 0 318.421 0.523 10 0 DCAERO CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328725842 159024906 /nfs/dbraw/zinc/02/49/06/159024906.db2.gz ZHVBZYAXWRCHEC-QWHCGFSZSA-N 1 0 307.398 0.670 10 0 DCAERO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000329158723 159068310 /nfs/dbraw/zinc/06/83/10/159068310.db2.gz XDIWFYWMCXNQQW-CYBMUJFWSA-N 1 0 313.365 0.425 10 0 DCAERO C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206437 159073426 /nfs/dbraw/zinc/07/34/26/159073426.db2.gz YDUZKULIUOWRAX-RFQIPJPRSA-N 1 0 314.451 0.895 10 0 DCAERO CCN1CCN(C(=O)[C@H]2COCCN2CC2CCC2)CC1=O ZINC000329405394 159089821 /nfs/dbraw/zinc/08/98/21/159089821.db2.gz ZDROCPXNSFQFNH-CQSZACIVSA-N 1 0 309.410 0.178 10 0 DCAERO CN(C(=O)Cc1nc2ncccn2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329451204 159094224 /nfs/dbraw/zinc/09/42/24/159094224.db2.gz LPQJWBVWXMCCTB-GFCCVEGCSA-N 1 0 300.366 0.219 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@@H]2C1 ZINC000329596143 159105834 /nfs/dbraw/zinc/10/58/34/159105834.db2.gz CAPLNSQZFVSWOH-VXGBXAGGSA-N 1 0 307.398 0.578 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC000329905111 159127691 /nfs/dbraw/zinc/12/76/91/159127691.db2.gz RIZVJWMXSKSGAS-AWEZNQCLSA-N 1 0 311.426 0.426 10 0 DCAERO CC(C)C[NH+]1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000371886922 159591470 /nfs/dbraw/zinc/59/14/70/159591470.db2.gz AVOBHUGZODOHOL-INIZCTEOSA-N 1 0 324.469 0.833 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H]2C1 ZINC000408040226 160019290 /nfs/dbraw/zinc/01/92/90/160019290.db2.gz FPTREKZMBRCYBG-CHWSQXEVSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000408068343 160027251 /nfs/dbraw/zinc/02/72/51/160027251.db2.gz HRTGINZAPLNLPG-QWHCGFSZSA-N 1 0 314.389 0.948 10 0 DCAERO COC(=O)C1CCN(C(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000408070239 160028193 /nfs/dbraw/zinc/02/81/93/160028193.db2.gz ICLAHJUCPSUHJH-HNNXBMFYSA-N 1 0 323.437 0.568 10 0 DCAERO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408123104 160041923 /nfs/dbraw/zinc/04/19/23/160041923.db2.gz NIXMUYMZQUYPAK-CYBMUJFWSA-N 1 0 317.455 0.401 10 0 DCAERO CC(C)NS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000408146031 160047874 /nfs/dbraw/zinc/04/78/74/160047874.db2.gz MEQSTDADXXDCOW-LBPRGKRZSA-N 1 0 307.460 0.254 10 0 DCAERO Cc1occc1C(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408150164 160048623 /nfs/dbraw/zinc/04/86/23/160048623.db2.gz OQQQNDODUDKYDA-TZMCWYRMSA-N 1 0 305.378 0.870 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000408208334 160060873 /nfs/dbraw/zinc/06/08/73/160060873.db2.gz MBGBJDRMBKSXHR-KBPBESRZSA-N 1 0 312.458 0.425 10 0 DCAERO C[C@H]1CN(C(=O)c2cncnc2)CCN1C1CC[NH+](C)CC1 ZINC000408219873 160062290 /nfs/dbraw/zinc/06/22/90/160062290.db2.gz RAIKXHKOXASVLU-ZDUSSCGKSA-N 1 0 303.410 0.717 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408226358 160063589 /nfs/dbraw/zinc/06/35/89/160063589.db2.gz OVSRDUAMSGPSPI-VXGBXAGGSA-N 1 0 305.444 0.320 10 0 DCAERO C[N@H+](CCO)C1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000408236019 160066263 /nfs/dbraw/zinc/06/62/63/160066263.db2.gz MTKLCVSNOJVZRK-UHFFFAOYSA-N 1 0 320.455 0.131 10 0 DCAERO CCCN1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248300 160069348 /nfs/dbraw/zinc/06/93/48/160069348.db2.gz ALSRUAPWNMINEB-GFCCVEGCSA-N 1 0 302.440 0.896 10 0 DCAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000408374694 160094485 /nfs/dbraw/zinc/09/44/85/160094485.db2.gz PYVFDMISYNSEMT-ZIAGYGMSSA-N 1 0 311.426 0.158 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000408380669 160095996 /nfs/dbraw/zinc/09/59/96/160095996.db2.gz BQFYQMIJFLGIQC-QWHCGFSZSA-N 1 0 317.455 0.449 10 0 DCAERO Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)n1 ZINC000408383732 160096632 /nfs/dbraw/zinc/09/66/32/160096632.db2.gz BIOGCLHGFHAJIA-MJBXVCDLSA-N 1 0 320.393 0.887 10 0 DCAERO Cc1ccncc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000408457766 160112578 /nfs/dbraw/zinc/11/25/78/160112578.db2.gz CIPBZJUNHDYRQX-UHFFFAOYSA-N 1 0 313.423 0.467 10 0 DCAERO C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000135754895 287024241 /nfs/dbraw/zinc/02/42/41/287024241.db2.gz ATNDPMLAXIQXBR-TZMCWYRMSA-N 1 0 320.455 0.272 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC2(C)C)n1 ZINC000152490070 287041816 /nfs/dbraw/zinc/04/18/16/287041816.db2.gz OPEAXDKKTRBMCE-UHFFFAOYSA-N 1 0 307.398 0.784 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000176983690 287053094 /nfs/dbraw/zinc/05/30/94/287053094.db2.gz GEWPBNIURTXLPK-HIFRSBDPSA-N 1 0 313.442 0.716 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1=O ZINC000186887111 287057919 /nfs/dbraw/zinc/05/79/19/287057919.db2.gz ATEBJEJUQQBQIP-QWHCGFSZSA-N 1 0 316.405 0.937 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cncc(O)c2)C[C@H]1C ZINC000245683276 287071813 /nfs/dbraw/zinc/07/18/13/287071813.db2.gz 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CC[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC000247386598 287093212 /nfs/dbraw/zinc/09/32/12/287093212.db2.gz WOLOKRPRAKVWCA-HUUCEWRRSA-N 1 0 313.442 0.324 10 0 DCAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000246975397 287089866 /nfs/dbraw/zinc/08/98/66/287089866.db2.gz JKJBIWOCOSWWKF-CHWSQXEVSA-N 1 0 312.410 0.633 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000247528482 287094429 /nfs/dbraw/zinc/09/44/29/287094429.db2.gz ZQMLXBRPXPIPHU-CMPLNLGQSA-N 1 0 324.454 0.945 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000249113526 287106675 /nfs/dbraw/zinc/10/66/75/287106675.db2.gz RVHQYQDVFYOOAY-RBSFLKMASA-N 1 0 315.458 0.880 10 0 DCAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000249045619 287105715 /nfs/dbraw/zinc/10/57/15/287105715.db2.gz NMTHGNDCEOEHPJ-AYMMMOKOSA-N 1 0 311.304 0.608 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000249479161 287111922 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416033561 /nfs/dbraw/zinc/03/35/61/416033561.db2.gz LSZOLMFWODDONK-GFCCVEGCSA-N 1 0 322.384 0.901 10 0 DCAERO CNC(=O)c1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170830977 416033602 /nfs/dbraw/zinc/03/36/02/416033602.db2.gz ZLLMQSBMGHLOJW-CQSZACIVSA-N 1 0 304.394 0.892 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000170866898 416034998 /nfs/dbraw/zinc/03/49/98/416034998.db2.gz BGEUYYDNNWOGKZ-ZJUUUORDSA-N 1 0 307.316 0.560 10 0 DCAERO CNC(=O)c1cccnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301543019 416087397 /nfs/dbraw/zinc/08/73/97/416087397.db2.gz KJVCRRXTFYBKKW-CYBMUJFWSA-N 1 0 304.394 0.600 10 0 DCAERO Cc1nn(C)c(C)c1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000174827578 416088372 /nfs/dbraw/zinc/08/83/72/416088372.db2.gz RQGNIGLWHFWCKN-UHFFFAOYSA-N 1 0 323.441 0.540 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1C(=O)CCC1=O ZINC000174912800 416091430 /nfs/dbraw/zinc/09/14/30/416091430.db2.gz HOFRCTKDVMLEGD-CHWSQXEVSA-N 1 0 322.409 0.404 10 0 DCAERO 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416166530 /nfs/dbraw/zinc/16/65/30/416166530.db2.gz DWKOFMQWAJFITP-CZUORRHYSA-N 1 0 301.390 0.767 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000178627824 416168071 /nfs/dbraw/zinc/16/80/71/416168071.db2.gz YTCXROHUKWFTAB-DZGCQCFKSA-N 1 0 323.437 0.567 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 ZINC000329563834 416176634 /nfs/dbraw/zinc/17/66/34/416176634.db2.gz SAXXSJQQKCIXBU-MELADBBJSA-N 1 0 319.409 0.162 10 0 DCAERO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCOC2)ncn1 ZINC000179067499 416181420 /nfs/dbraw/zinc/18/14/20/416181420.db2.gz IOCLEDOJNZQUDH-NEPJUHHUSA-N 1 0 320.397 0.575 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179142562 416182522 /nfs/dbraw/zinc/18/25/22/416182522.db2.gz MMTOPZVPIWZVJZ-ZDUSSCGKSA-N 1 0 319.409 0.611 10 0 DCAERO COCCCOCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000180569996 416198605 /nfs/dbraw/zinc/19/86/05/416198605.db2.gz RWYPCSBDKHUJGC-AWEZNQCLSA-N 1 0 314.426 0.751 10 0 DCAERO 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DHXIUDWHSKRSKR-RYUDHWBXSA-N 1 0 322.409 0.627 10 0 DCAERO COC(=O)[C@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CCO1 ZINC000358669161 416265411 /nfs/dbraw/zinc/26/54/11/416265411.db2.gz RIEQWPCYZHIBGB-CYBMUJFWSA-N 1 0 311.382 0.222 10 0 DCAERO COC[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358693403 416270018 /nfs/dbraw/zinc/27/00/18/416270018.db2.gz ZXMWXQFLSOOIJG-GDBMZVCRSA-N 1 0 307.394 0.740 10 0 DCAERO CC(C)(O)C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000189892520 416271382 /nfs/dbraw/zinc/27/13/82/416271382.db2.gz CKXURIAAQCXBAC-LBPRGKRZSA-N 1 0 304.456 0.893 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193612083 416319397 /nfs/dbraw/zinc/31/93/97/416319397.db2.gz ZGBNSZOZYGKFQK-MFKMUULPSA-N 1 0 311.407 0.513 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)CCO1 ZINC000191679140 416288696 /nfs/dbraw/zinc/28/86/96/416288696.db2.gz YBXAWVVCODRPCQ-LBPRGKRZSA-N 1 0 315.373 0.931 10 0 DCAERO 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/nfs/dbraw/zinc/32/88/78/416328878.db2.gz LQTDJWRKKYVGCR-CYBMUJFWSA-N 1 0 304.394 0.626 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@H]1CN1CCOCC1)CS(C)(=O)=O ZINC000246469723 416331778 /nfs/dbraw/zinc/33/17/78/416331778.db2.gz GORJGTMRQNLWNO-KBPBESRZSA-N 1 0 304.456 0.464 10 0 DCAERO C[NH+](C)C1(CNC(=O)c2cccc3ncnn32)CCOCC1 ZINC000359815365 416360306 /nfs/dbraw/zinc/36/03/06/416360306.db2.gz UJOJYYPAZHTHKQ-UHFFFAOYSA-N 1 0 303.366 0.570 10 0 DCAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCO1 ZINC000583623265 416480053 /nfs/dbraw/zinc/48/00/53/416480053.db2.gz RURULOMSABCTRM-CABCVRRESA-N 1 0 311.426 0.918 10 0 DCAERO Cc1nc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)sc1C ZINC000434578511 416486393 /nfs/dbraw/zinc/48/63/93/416486393.db2.gz YCZLRHIVNWFUIB-UHFFFAOYSA-N 1 0 319.390 0.744 10 0 DCAERO CS[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1[NH+](C)C ZINC000535729308 416525726 /nfs/dbraw/zinc/52/57/26/416525726.db2.gz MGZVIAVEEFPEEJ-NEPJUHHUSA-N 1 0 305.407 0.847 10 0 DCAERO CCn1nncc1CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000459300676 416530558 /nfs/dbraw/zinc/53/05/58/416530558.db2.gz MAPDCHLLBUHUDX-LBPRGKRZSA-N 1 0 315.443 0.592 10 0 DCAERO Cn1ccnc1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000534109914 416493260 /nfs/dbraw/zinc/49/32/60/416493260.db2.gz IWJOKBYBAJUNGD-HUUCEWRRSA-N 1 0 324.425 0.099 10 0 DCAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434786226 416497496 /nfs/dbraw/zinc/49/74/96/416497496.db2.gz QPEPACPUJRFUNP-HNNXBMFYSA-N 1 0 311.382 0.784 10 0 DCAERO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)C(C)C)C1 ZINC000367910066 416655717 /nfs/dbraw/zinc/65/57/17/416655717.db2.gz HRVVQTHPWAQTJQ-KBPBESRZSA-N 1 0 322.471 0.376 10 0 DCAERO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)CCCO ZINC000440958335 416656219 /nfs/dbraw/zinc/65/62/19/416656219.db2.gz NGLZBZJIIZRUIL-AWEZNQCLSA-N 1 0 311.378 0.952 10 0 DCAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN2CCOC[C@H]2C1 ZINC000544590112 416657410 /nfs/dbraw/zinc/65/74/10/416657410.db2.gz IYLUJUQBJSDBGW-HZPDHXFCSA-N 1 0 307.438 0.936 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000545150647 416663426 /nfs/dbraw/zinc/66/34/26/416663426.db2.gz NIDXPKQDLZYOAS-KRWDZBQOSA-N 1 0 320.437 0.950 10 0 DCAERO COCC[N@H+](C)CCNC(=O)NCCc1cccc(OC)n1 ZINC000441231357 416666387 /nfs/dbraw/zinc/66/63/87/416666387.db2.gz KIWOOJVYTRISJO-UHFFFAOYSA-N 1 0 310.398 0.510 10 0 DCAERO O=C(Cc1c[nH]c2ncccc12)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000548672936 416692019 /nfs/dbraw/zinc/69/20/19/416692019.db2.gz SIDSNTTUHDEVKH-GFCCVEGCSA-N 1 0 310.361 1.475 10 0 DCAERO C[C@H]1CCCN1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443106098 416732983 /nfs/dbraw/zinc/73/29/83/416732983.db2.gz VSAABRMTKNFJOA-ZDUSSCGKSA-N 1 0 318.487 0.331 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000369356025 416760634 /nfs/dbraw/zinc/76/06/34/416760634.db2.gz ZMQHSGHNMNDYFR-RQJABVFESA-N 1 0 308.426 0.731 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1C[C@@H](C)O ZINC000369736837 416824539 /nfs/dbraw/zinc/82/45/39/416824539.db2.gz DTVJTELKICCTEE-XJKCOSOUSA-N 1 0 311.426 0.206 10 0 DCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@](C)(O)C(=O)OC)CC2 ZINC000517254415 416796565 /nfs/dbraw/zinc/79/65/65/416796565.db2.gz CWCFPGBUPFLJDM-YRGRVCCFSA-N 1 0 301.383 0.162 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000444699815 416860819 /nfs/dbraw/zinc/86/08/19/416860819.db2.gz FCKWJKRXIMPDKH-LBPRGKRZSA-N 1 0 321.343 0.951 10 0 DCAERO Cc1nn(C)c(C[NH2+]C[C@H]2COCCN2C)c1Br ZINC000623712768 416873559 /nfs/dbraw/zinc/87/35/59/416873559.db2.gz KYFJWKRNVNFGRZ-JTQLQIEISA-N 1 0 317.231 0.911 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000631960171 416832308 /nfs/dbraw/zinc/83/23/08/416832308.db2.gz JUQPFGOEONOXJZ-GFCCVEGCSA-N 1 0 300.428 0.929 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631992913 416853412 /nfs/dbraw/zinc/85/34/12/416853412.db2.gz HCUGCBWAGGWGPS-GXSJLCMTSA-N 1 0 318.830 0.836 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000373181688 416947788 /nfs/dbraw/zinc/94/77/88/416947788.db2.gz VORGFUJRWQHDIO-UHFFFAOYSA-N 1 0 319.409 0.928 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C)cc1F ZINC000624396444 417028802 /nfs/dbraw/zinc/02/88/02/417028802.db2.gz QZVDGDANENBVOK-UHFFFAOYSA-N 1 0 304.387 0.991 10 0 DCAERO CC1(OCC(=O)N(CCC(N)=O)Cc2ccccc2)C[NH2+]C1 ZINC000381835377 417084658 /nfs/dbraw/zinc/08/46/58/417084658.db2.gz QXZYFOVUFNEWFH-UHFFFAOYSA-N 1 0 305.378 0.269 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(F)c1 ZINC000381441156 417087318 /nfs/dbraw/zinc/08/73/18/417087318.db2.gz FHJDLBHZSGKTMV-YUMQZZPRSA-N 1 0 303.359 0.798 10 0 DCAERO CN(C)c1nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(=O)[nH]1 ZINC000407988884 417130498 /nfs/dbraw/zinc/13/04/98/417130498.db2.gz IEZRLWAJPKVROU-GFCCVEGCSA-N 1 0 319.409 0.949 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000408419857 417160984 /nfs/dbraw/zinc/16/09/84/417160984.db2.gz PEZSQIJINOIKMG-NEPJUHHUSA-N 1 0 308.386 0.085 10 0 DCAERO COC[C@@]1(C(=O)NCc2n[nH]cc2Br)CCC[NH2+]1 ZINC000643682234 417299604 /nfs/dbraw/zinc/29/96/04/417299604.db2.gz LYBGZJYPCXXPPP-LLVKDONJSA-N 1 0 317.187 0.557 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000451672206 417378090 /nfs/dbraw/zinc/37/80/90/417378090.db2.gz SECWRLPRLJBZJB-CHWSQXEVSA-N 1 0 305.444 0.152 10 0 DCAERO C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCCC[NH2+]1 ZINC000638680532 417535114 /nfs/dbraw/zinc/53/51/14/417535114.db2.gz DHNSRZSRPPZYBH-MBNYWOFBSA-N 1 0 300.424 0.697 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638875742 417574743 /nfs/dbraw/zinc/57/47/43/417574743.db2.gz MKWKBLZWKZFMTR-LLVKDONJSA-N 1 0 301.188 0.941 10 0 DCAERO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000531427578 417622367 /nfs/dbraw/zinc/62/23/67/417622367.db2.gz LMBBCTCULPRALE-UHFFFAOYSA-N 1 0 316.409 0.981 10 0 DCAERO C[C@@](O)(Cn1ccccc1=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457062502 417681094 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311.426 0.349 10 0 DCAERO CC1(C)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCS1(=O)=O ZINC000333812999 281078321 /nfs/dbraw/zinc/07/83/21/281078321.db2.gz JRBPOJFMHLVQLA-GFCCVEGCSA-N 1 0 317.455 0.737 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000245894687 288309576 /nfs/dbraw/zinc/30/95/76/288309576.db2.gz PPOBJZBRXBCONK-AGIUHOORSA-N 1 0 304.398 0.991 10 0 DCAERO CCc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C)nn1 ZINC000554969815 288342365 /nfs/dbraw/zinc/34/23/65/288342365.db2.gz XFSAOMBLLHOCBG-UHFFFAOYSA-N 1 0 305.426 0.667 10 0 DCAERO Cc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])sc1S(N)(=O)=O ZINC000261574005 281934678 /nfs/dbraw/zinc/93/46/78/281934678.db2.gz WOVLMVRYOHNERY-APPZFPTMSA-N 1 0 304.441 0.663 10 0 DCAERO C[NH+](C)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CCCC1 ZINC000155994324 289119943 /nfs/dbraw/zinc/11/99/43/289119943.db2.gz AQJYRBNWINBSGQ-UHFFFAOYSA-N 1 0 324.425 0.650 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000119303462 289201770 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/nfs/dbraw/zinc/21/83/39/337218339.db2.gz LJTCQXCSRINAGD-AVOUXACISA-N 1 0 323.437 0.613 10 0 DCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000576511436 341849910 /nfs/dbraw/zinc/84/99/10/341849910.db2.gz JZZKOKLLOBQJKR-STQMWFEESA-N 1 0 308.444 0.035 10 0 DCAERO C[C@H]1CN(C[C@H](O)COc2ccccc2F)CC[N@@H+]1CCO ZINC000187725800 533946652 /nfs/dbraw/zinc/94/66/52/533946652.db2.gz IYIAUYYPYLCXFI-KBPBESRZSA-N 1 0 312.385 0.564 10 0 DCAERO CC(=O)NC1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000190237798 519647698 /nfs/dbraw/zinc/64/76/98/519647698.db2.gz GCGRSTMDFLNIPM-UHFFFAOYSA-N 1 0 322.384 0.787 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246619941 521722305 /nfs/dbraw/zinc/72/23/05/521722305.db2.gz YRPGOXFNCQGAKV-KFWWJZLASA-N 1 0 322.453 0.269 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000131545962 522204788 /nfs/dbraw/zinc/20/47/88/522204788.db2.gz SDWPTSUKBZXDLE-OAHLLOKOSA-N 1 0 319.405 0.332 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(Cc2nccc(OC)c2OC)CC1 ZINC000190606621 522209118 /nfs/dbraw/zinc/20/91/18/522209118.db2.gz MSMZWIOHFJFFTA-CYBMUJFWSA-N 1 0 309.410 0.987 10 0 DCAERO CC[C@H]1CN(c2ccc(C(=O)NC)nn2)CC[N@@H+]1CCOC ZINC000266794844 523304947 /nfs/dbraw/zinc/30/49/47/523304947.db2.gz ADPHGJQLHHHLTK-LBPRGKRZSA-N 1 0 307.398 0.383 10 0 DCAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)c1cccnc1 ZINC000247145997 524900398 /nfs/dbraw/zinc/90/03/98/524900398.db2.gz WQPHYFILWPEXNJ-TZMCWYRMSA-N 1 0 304.394 0.610 10 0 DCAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)NC1CC1 ZINC000157683804 525609249 /nfs/dbraw/zinc/60/92/49/525609249.db2.gz RCDDFDSPVRFSJP-VHSXEESVSA-N 1 0 311.407 0.652 10 0 DCAERO C[C@H](CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000237537552 526229475 /nfs/dbraw/zinc/22/94/75/526229475.db2.gz IIWPLXUNNXDXEG-LLVKDONJSA-N 1 0 314.382 0.810 10 0 DCAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000328622829 526493979 /nfs/dbraw/zinc/49/39/79/526493979.db2.gz 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527938522 /nfs/dbraw/zinc/93/85/22/527938522.db2.gz ONRVFASSHCWMBG-QWHCGFSZSA-N 1 0 302.440 0.815 10 0 DCAERO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)N2CCCCC2)CC1 ZINC000161634311 528254412 /nfs/dbraw/zinc/25/44/12/528254412.db2.gz VDKDIRKQILOXME-CQSZACIVSA-N 1 0 319.471 0.400 10 0 DCAERO CCOCCOCC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188633722 528788900 /nfs/dbraw/zinc/78/89/00/528788900.db2.gz OPBNLBWFORQKBK-CYBMUJFWSA-N 1 0 302.415 0.343 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C1 ZINC000284845782 536468424 /nfs/dbraw/zinc/46/84/24/536468424.db2.gz CMPJOBAYKCDBTA-KGLIPLIRSA-N 1 0 303.362 0.557 10 0 DCAERO COC(=O)c1cc(C)cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000457739324 536882130 /nfs/dbraw/zinc/88/21/30/536882130.db2.gz IACRIZHKYPZWRK-MRXNPFEDSA-N 1 0 306.362 0.578 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000076669692 545676804 /nfs/dbraw/zinc/67/68/04/545676804.db2.gz XARPUWZGWRAJPO-KGLIPLIRSA-N 1 0 319.471 0.664 10 0 DCAERO 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/nfs/dbraw/zinc/93/10/73/545931073.db2.gz IFFFPBBOKMGPCI-HUUCEWRRSA-N 1 0 323.437 0.445 10 0 DCAERO C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000248044706 545968418 /nfs/dbraw/zinc/96/84/18/545968418.db2.gz URTBPNBUKZVNPX-PMPSAXMXSA-N 1 0 309.454 0.945 10 0 DCAERO CN(C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1)S(C)(=O)=O ZINC000261697684 545977223 /nfs/dbraw/zinc/97/72/23/545977223.db2.gz IDXBPRMAQWONFM-DGCLKSJQSA-N 1 0 317.455 0.244 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000262069983 545978359 /nfs/dbraw/zinc/97/83/59/545978359.db2.gz BOFJICMCVBWYRI-GXTWGEPZSA-N 1 0 303.362 0.124 10 0 DCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000262074129 545978422 /nfs/dbraw/zinc/97/84/22/545978422.db2.gz BXDSCCARNZPVGH-UWVGGRQHSA-N 1 0 316.304 0.607 10 0 DCAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262089298 545978488 /nfs/dbraw/zinc/97/84/88/545978488.db2.gz CXWCAHJUMWJZJQ-WAZAZEMKSA-N 1 0 317.389 0.591 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000262154375 545980364 /nfs/dbraw/zinc/98/03/64/545980364.db2.gz HZCQUJDCRVJATE-HZMBPMFUSA-N 1 0 304.325 0.526 10 0 DCAERO CCOCCOc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262154312 545980469 /nfs/dbraw/zinc/98/04/69/545980469.db2.gz HYOKBBNFQSHBNV-TZMCWYRMSA-N 1 0 308.378 0.412 10 0 DCAERO C[C@@H]1CCN(c2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)ccn2)C1 ZINC000262252061 545982035 /nfs/dbraw/zinc/98/20/35/545982035.db2.gz LPYOIYJWYXIHOL-BNOWGMLFSA-N 1 0 304.394 0.238 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2)CCOCC1 ZINC000262264785 545982208 /nfs/dbraw/zinc/98/22/08/545982208.db2.gz MLYBCXJURIKMLN-DZGCQCFKSA-N 1 0 304.390 0.431 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262280210 545982868 /nfs/dbraw/zinc/98/28/68/545982868.db2.gz NTWATFHWGFQLBW-IINYFYTJSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000262326406 545983281 /nfs/dbraw/zinc/98/32/81/545983281.db2.gz RWAXNOFWBKGQHA-CWRNSKLLSA-N 1 0 320.389 0.555 10 0 DCAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262314848 545983926 /nfs/dbraw/zinc/98/39/26/545983926.db2.gz QTPHRKLZWPVQHI-KOLCDFICSA-N 1 0 321.406 0.162 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Br)s1 ZINC000262371300 545984562 /nfs/dbraw/zinc/98/45/62/545984562.db2.gz WDGGKDSZTSONJC-RNFRBKRXSA-N 1 0 305.197 0.821 10 0 DCAERO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262371186 545984729 /nfs/dbraw/zinc/98/47/29/545984729.db2.gz WBTSWDWNCPTOPQ-XHDPSFHLSA-N 1 0 303.337 0.992 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405268857 546228707 /nfs/dbraw/zinc/22/87/07/546228707.db2.gz NJWIMISSKONPQZ-QWHCGFSZSA-N 1 0 305.444 0.104 10 0 DCAERO Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000668068455 546689451 /nfs/dbraw/zinc/68/94/51/546689451.db2.gz NHTZGRAPPHGYQU-LSDHHAIUSA-N 1 0 320.437 0.952 10 0 DCAERO CC(C)(C)OC(=O)N1CCN[C@H](c2cnnn2[C@H]2CC[NH2+]C2)C1 ZINC000685952191 548749128 /nfs/dbraw/zinc/74/91/28/548749128.db2.gz ZVFHWVQVIBETLL-RYUDHWBXSA-N 1 0 322.413 0.694 10 0 DCAERO CN1[C@]2(CCCN(C(=O)OC(C)(C)C)C2)[C@H]([NH3+])CS1(=O)=O ZINC000725256344 548749455 /nfs/dbraw/zinc/74/94/55/548749455.db2.gz GCDMRKCDVYSZBV-MFKMUULPSA-N 1 0 319.427 0.359 10 0 DCAERO C[C@@H]1CN(Cc2cnc(NC(=O)CN(C)C)s2)CC[C@@H]1[NH3+] ZINC000725273041 548750273 /nfs/dbraw/zinc/75/02/73/548750273.db2.gz XPLCDERITYDLIV-PWSUYJOCSA-N 1 0 311.455 0.812 10 0 DCAERO O=S(=O)(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]C1 ZINC000722409022 661176908 /nfs/dbraw/zinc/17/69/08/661176908.db2.gz CFGKYYMOVMTQFM-AEJSXWLSSA-N 1 0 316.345 0.768 10 0 DCAERO O=S(=O)(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H]1CCC[NH2+]C1 ZINC000722409244 661176934 /nfs/dbraw/zinc/17/69/34/661176934.db2.gz CFGKYYMOVMTQFM-GUBZILKMSA-N 1 0 316.345 0.768 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000337165504 661250937 /nfs/dbraw/zinc/25/09/37/661250937.db2.gz XQKPJPGQQFPHEG-XHBSWPGZSA-N 1 0 322.409 0.306 10 0 DCAERO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nn1C ZINC000889070528 657492362 /nfs/dbraw/zinc/49/23/62/657492362.db2.gz RQGURNSKYIHKEN-QWRGUYRKSA-N 1 0 321.381 0.907 10 0 DCAERO CC1(C)[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)[C@H]2CCCO[C@@H]21 ZINC000187835821 657513450 /nfs/dbraw/zinc/51/34/50/657513450.db2.gz PIYYINUUMLCUKT-UPJWGTAASA-N 1 0 302.440 0.671 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@@H]1C ZINC000892357115 657730161 /nfs/dbraw/zinc/73/01/61/657730161.db2.gz XUKIIIAFIPGWSM-UONOGXRCSA-N 1 0 316.409 0.613 10 0 DCAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000888076474 658712998 /nfs/dbraw/zinc/71/29/98/658712998.db2.gz NXBUTKQLDDTUTL-HNNXBMFYSA-N 1 0 304.398 0.601 10 0 DCAERO Cc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888078089 658723336 /nfs/dbraw/zinc/72/33/36/658723336.db2.gz NPAMYWLJQSFQDE-DZGCQCFKSA-N 1 0 304.350 0.765 10 0 DCAERO COc1ccc2c(CC(=O)N3CC[C@H]([NH3+])C3)cc(=O)oc2c1 ZINC000097228915 658855526 /nfs/dbraw/zinc/85/55/26/658855526.db2.gz NHVYGHSMPZDQEN-NSHDSACASA-N 1 0 302.330 0.904 10 0 DCAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1nnnn1C1CC1 ZINC000188848889 659347158 /nfs/dbraw/zinc/34/71/58/659347158.db2.gz OILVQLVLIJNQLZ-WCQYABFASA-N 1 0 317.397 0.725 10 0 DCAERO Cc1nc2c(nccc2C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)[nH]1 ZINC000333020748 659773586 /nfs/dbraw/zinc/77/35/86/659773586.db2.gz DUYCDZWDMVWSRZ-ZWNOBZJWSA-N 1 0 317.393 0.793 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000248388712 661516431 /nfs/dbraw/zinc/51/64/31/661516431.db2.gz FNINWWRVFIDXRZ-XQQFMLRXSA-N 1 0 300.399 0.671 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237051682 661614054 /nfs/dbraw/zinc/61/40/54/661614054.db2.gz HSZWNWKGPMWEFF-SGMGOOAPSA-N 1 0 310.442 0.171 10 0 DCAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000178906127 661846117 /nfs/dbraw/zinc/84/61/17/661846117.db2.gz XJHNBYPLUGFHIJ-VIFPVBQESA-N 1 0 314.798 0.957 10 0 DCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000262357125 662346380 /nfs/dbraw/zinc/34/63/80/662346380.db2.gz GWLXNGUWJPTXNT-LLVKDONJSA-N 1 0 323.374 0.794 10 0 DCAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000721871452 662734894 /nfs/dbraw/zinc/73/48/94/662734894.db2.gz JOZFHWNFWPRBGR-SNVBAGLBSA-N 1 0 312.420 0.968 10 0 DCAERO CN(c1cccnn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900593636 663258532 /nfs/dbraw/zinc/25/85/32/663258532.db2.gz YDSSWKGQSXNCIN-UHFFFAOYSA-N 1 0 315.421 1.000 10 0 DCAERO CNc1nc(C)ccc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000900847290 663287374 /nfs/dbraw/zinc/28/73/74/663287374.db2.gz YBUDVCHPAOEPKU-OLZOCXBDSA-N 1 0 306.410 0.959 10 0 DCAERO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000908195530 663741455 /nfs/dbraw/zinc/74/14/55/663741455.db2.gz QPXFZASYEFYJDS-FQLMCAECSA-N 1 0 324.446 0.738 10 0 DCAERO Cc1nn(C)c(N2CCC2)c1NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913245681 664293710 /nfs/dbraw/zinc/29/37/10/664293710.db2.gz XDSUBRSWOAANFU-STQMWFEESA-N 1 0 319.409 0.740 10 0 DCAERO CC[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC000171573022 664610272 /nfs/dbraw/zinc/61/02/72/664610272.db2.gz SDIOPBDYLRSABV-HUUCEWRRSA-N 1 0 313.442 0.276 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCC[NH2+]C2CC2)cc1 ZINC000151538753 664677691 /nfs/dbraw/zinc/67/76/91/664677691.db2.gz SXIVARFYBGJAGH-RUDMXATFSA-N 1 0 323.418 0.940 10 0 DCAERO COCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000152468896 664754151 /nfs/dbraw/zinc/75/41/51/664754151.db2.gz YPAIADOGUWHOJH-AWEZNQCLSA-N 1 0 322.409 0.188 10 0 DCAERO CC[S@@](=O)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000741423936 664842230 /nfs/dbraw/zinc/84/22/30/664842230.db2.gz IYNPPVWQXMKUBO-OAQYLSRUSA-N 1 0 319.471 0.507 10 0 DCAERO CC1([C@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)OCCO1 ZINC000183831417 666121313 /nfs/dbraw/zinc/12/13/13/666121313.db2.gz SVVVWJCQCOSXQQ-LSDHHAIUSA-N 1 0 314.426 0.155 10 0 DCAERO CCOC(=O)[C@@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000184875074 666297031 /nfs/dbraw/zinc/29/70/31/666297031.db2.gz SUPHVAZSORCKDD-CJNGLKHVSA-N 1 0 309.410 0.526 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000702832838 667001316 /nfs/dbraw/zinc/00/13/16/667001316.db2.gz SCQOPSXGDVFPDQ-XQQFMLRXSA-N 1 0 300.399 0.983 10 0 DCAERO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702843251 667009837 /nfs/dbraw/zinc/00/98/37/667009837.db2.gz CRQDMYUQINJTEA-JQWIXIFHSA-N 1 0 311.386 0.133 10 0 DCAERO O=C(/C=C\c1ccc(Br)o1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702843001 667010085 /nfs/dbraw/zinc/01/00/85/667010085.db2.gz ZCSVZFFLCKGXSM-LDWTZJGPSA-N 1 0 315.167 0.752 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2cnc3cnccn23)C[C@@H]1n1ccnn1 ZINC000862498147 667046162 /nfs/dbraw/zinc/04/61/62/667046162.db2.gz XDORTXAKLBTCRD-KGLIPLIRSA-N 1 0 312.381 0.308 10 0 DCAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000704634380 667241433 /nfs/dbraw/zinc/24/14/33/667241433.db2.gz FAJPIGLWJLSCIW-OUAUKWLOSA-N 1 0 306.453 0.163 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)c3cccc4c3OCO4)C[C@H]2[NH3+])c1 ZINC000864343761 667245490 /nfs/dbraw/zinc/24/54/90/667245490.db2.gz VGJALQHYIZKHRZ-VXGBXAGGSA-N 1 0 314.345 0.716 10 0 DCAERO COC[C@H]([NH3+])C(=O)Nc1nc(CCCC(=O)OC)cs1 ZINC000707741856 667441640 /nfs/dbraw/zinc/44/16/40/667441640.db2.gz UNAONBLTSCNYFI-VIFPVBQESA-N 1 0 301.368 0.551 10 0 DCAERO CCN(CCC[NH2+]Cc1nccn1C1CC1)S(C)(=O)=O ZINC000711753925 667534513 /nfs/dbraw/zinc/53/45/13/667534513.db2.gz BDLHTWGUQLCYPB-UHFFFAOYSA-N 1 0 300.428 0.979 10 0 DCAERO O=S(=O)(N[C@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000711867887 667548350 /nfs/dbraw/zinc/54/83/50/667548350.db2.gz FRUVVPLMSGEXNQ-MGPQQGTHSA-N 1 0 302.440 0.863 10 0 DCAERO C[NH2+]CCCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000122991257 667717431 /nfs/dbraw/zinc/71/74/31/667717431.db2.gz 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CO[C@@]1(C[NH2+]C[C@@H](O)CC2CCCC2)CCS(=O)(=O)C1 ZINC000720931306 685317421 /nfs/dbraw/zinc/31/74/21/685317421.db2.gz SVCZKFKKEQFUEG-UONOGXRCSA-N 1 0 305.440 0.721 10 0 DCAERO CO[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCS(=O)(=O)C1 ZINC000721177609 685317624 /nfs/dbraw/zinc/31/76/24/685317624.db2.gz IKSFMSYJKCBBME-CYBMUJFWSA-N 1 0 319.423 0.465 10 0 DCAERO CCCC[C@@H]1NC(=O)N(CN2CCO[C@@H](C[NH+](C)C)C2)C1=O ZINC000246878355 685167608 /nfs/dbraw/zinc/16/76/08/685167608.db2.gz AUKICIPVOYQEQK-STQMWFEESA-N 1 0 312.414 0.317 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1c2cnccc2n(C)c1=O ZINC000247251128 685170610 /nfs/dbraw/zinc/17/06/10/685170610.db2.gz ZSSPBNQWOVHIKC-OLZOCXBDSA-N 1 0 301.394 0.861 10 0 DCAERO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000249584358 685182154 /nfs/dbraw/zinc/18/21/54/685182154.db2.gz SJIGRQQEYYSTGZ-SWLSCSKDSA-N 1 0 309.366 0.627 10 0 DCAERO CC1(C)[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)[C@@H]2CCCO[C@H]21 ZINC000250083099 685184861 /nfs/dbraw/zinc/18/48/61/685184861.db2.gz PIYYINUUMLCUKT-YNEHKIRRSA-N 1 0 302.440 0.671 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000067699358 1173777700 /nfs/dbraw/zinc/77/77/00/1173777700.db2.gz AKOGVLWNFFFCOL-UHFFFAOYSA-N 1 0 319.405 0.712 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000236621955 1180671820 /nfs/dbraw/zinc/67/18/20/1180671820.db2.gz AIJGAYXBKBXOQT-UHFFFAOYSA-N 1 0 305.378 0.669 10 0 DCAERO CC(C)(C)[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000194770746 1188181058 /nfs/dbraw/zinc/18/10/58/1188181058.db2.gz DJVFZXBCFQRQKA-LLVKDONJSA-N 1 0 310.398 0.354 10 0 DCAERO C[C@@H](NC(=O)C[N@H+](C)CC1CC(O)C1)C(=O)N1CCCCC1 ZINC000190128059 761633729 /nfs/dbraw/zinc/63/37/29/761633729.db2.gz XLYKNKQSIPSCPN-IYXRBSQSSA-N 1 0 311.426 0.206 10 0 DCAERO C[C@@](O)(C[NH2+]CCN1CCOCC1)C(F)(F)C(F)(F)F ZINC000724040739 946725223 /nfs/dbraw/zinc/72/52/23/946725223.db2.gz JQBOBEZMMBDZCM-SECBINFHSA-N 1 0 306.275 0.857 10 0 DCAERO 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/nfs/dbraw/zinc/14/64/32/215146432.db2.gz HIQVMKJSPHURGL-INIZCTEOSA-N 1 0 307.394 0.712 10 0 DCAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000172066434 198033958 /nfs/dbraw/zinc/03/39/58/198033958.db2.gz RGDKAMGHYOKSEO-LBPRGKRZSA-N 1 0 311.407 0.500 10 0 DCAERO NC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802965 198150484 /nfs/dbraw/zinc/15/04/84/198150484.db2.gz FFHQPXFILBDRCI-CYBMUJFWSA-N 1 0 316.405 0.894 10 0 DCAERO CNC(=O)c1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000173791792 198252492 /nfs/dbraw/zinc/25/24/92/198252492.db2.gz XYRAWDQNZSAGPM-AWEZNQCLSA-N 1 0 305.378 0.449 10 0 DCAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CSC(=O)N1 ZINC000173855423 198260866 /nfs/dbraw/zinc/26/08/66/198260866.db2.gz BCQDIHCZIBVDRA-ZDUSSCGKSA-N 1 0 305.403 0.986 10 0 DCAERO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(Cl)cn2)CC1=O ZINC000182132434 199390866 /nfs/dbraw/zinc/39/08/66/199390866.db2.gz VPMYJQVFFRMZNQ-NSHDSACASA-N 1 0 324.812 0.761 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000236777791 202004918 /nfs/dbraw/zinc/00/49/18/202004918.db2.gz VLTAZTDENUFCEF-FZMZJTMJSA-N 1 0 302.378 0.885 10 0 DCAERO CN1CC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000172628269 283048658 /nfs/dbraw/zinc/04/86/58/283048658.db2.gz YDDHIVAQAMIJQP-UONOGXRCSA-N 1 0 308.426 0.877 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000179449699 199037489 /nfs/dbraw/zinc/03/74/89/199037489.db2.gz LZPGUSBBQHHKEY-ZDUSSCGKSA-N 1 0 320.397 0.331 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COCc2ncc[nH]2)C1 ZINC000180054867 199111837 /nfs/dbraw/zinc/11/18/37/199111837.db2.gz YXDZCMJTOGFQNX-CYBMUJFWSA-N 1 0 310.398 0.399 10 0 DCAERO CCCc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)n(C)n1 ZINC000180615216 199185332 /nfs/dbraw/zinc/18/53/32/199185332.db2.gz RGYRHDAHXDPULM-ZDUSSCGKSA-N 1 0 321.425 0.912 10 0 DCAERO CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180753661 199204624 /nfs/dbraw/zinc/20/46/24/199204624.db2.gz RXRAHHBLCQMDRO-GFCCVEGCSA-N 1 0 319.409 0.883 10 0 DCAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000186899634 200028346 /nfs/dbraw/zinc/02/83/46/200028346.db2.gz UDMGXLXVSGKODV-LLVKDONJSA-N 1 0 322.409 0.041 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)NCCCc2ccccn2)CC1=O ZINC000178570871 237230971 /nfs/dbraw/zinc/23/09/71/237230971.db2.gz KWSPTUDPDBFRIG-CQSZACIVSA-N 1 0 318.421 0.541 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000186727011 237322245 /nfs/dbraw/zinc/32/22/45/237322245.db2.gz GBTUEIIQYZAVOH-SMDDNHRTSA-N 1 0 310.419 0.959 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC1([NH+](C)C)CCC1 ZINC000186963654 237335929 /nfs/dbraw/zinc/33/59/29/237335929.db2.gz ACHVYGPYHJTZPP-CYBMUJFWSA-N 1 0 324.469 0.528 10 0 DCAERO Cc1cccc(OC[C@H](O)CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000187700588 237353661 /nfs/dbraw/zinc/35/36/61/237353661.db2.gz MQGXCWDDZYBNGM-HZPDHXFCSA-N 1 0 308.422 0.733 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)c3coc(C[NH3+])c3)C2)cn1 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CC(C)NC(=O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109789852 194285901 /nfs/dbraw/zinc/28/59/01/194285901.db2.gz DBWMFXHMCZFLSH-UHFFFAOYSA-N 1 0 324.469 0.387 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065473975 184351585 /nfs/dbraw/zinc/35/15/85/184351585.db2.gz NWLBYRKDZOTXCY-ZDUSSCGKSA-N 1 0 317.393 0.757 10 0 DCAERO Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)N[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000333494782 252730302 /nfs/dbraw/zinc/73/03/02/252730302.db2.gz DRSFNXRULJQNHX-LFSVMHDDSA-N 1 0 323.397 0.990 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC000225602682 285061780 /nfs/dbraw/zinc/06/17/80/285061780.db2.gz XPJIBLGRIKVTIB-STQMWFEESA-N 1 0 310.423 0.612 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000171104509 285267466 /nfs/dbraw/zinc/26/74/66/285267466.db2.gz HMQNIZSJTIWQFS-AWEZNQCLSA-N 1 0 312.458 0.881 10 0 DCAERO CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C1 ZINC000247932982 257114177 /nfs/dbraw/zinc/11/41/77/257114177.db2.gz 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ZINC000038031297 395730911 /nfs/dbraw/zinc/73/09/11/395730911.db2.gz LKAQTOVGRMZPHJ-UHFFFAOYSA-N 1 0 317.436 0.109 10 0 DCAERO CCC[NH+]1CCC(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000193881879 395781375 /nfs/dbraw/zinc/78/13/75/395781375.db2.gz LNCWLXCUYATZNY-GFCCVEGCSA-N 1 0 319.471 0.505 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000194031162 395786312 /nfs/dbraw/zinc/78/63/12/395786312.db2.gz XKXMQEFKGWHOOQ-CHWSQXEVSA-N 1 0 307.394 0.546 10 0 DCAERO COCC(=O)N[C@@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1C(=O)N(C)C ZINC000097940974 395761308 /nfs/dbraw/zinc/76/13/08/395761308.db2.gz YVABSHFQTKIQNM-QWHCGFSZSA-N 1 0 313.442 0.574 10 0 DCAERO COCCC[N@H+](CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000111233504 395803418 /nfs/dbraw/zinc/80/34/18/395803418.db2.gz DAZHRGUZKILDCD-CYBMUJFWSA-N 1 0 320.455 0.427 10 0 DCAERO CC(C)n1nnnc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231387 395803807 /nfs/dbraw/zinc/80/38/07/395803807.db2.gz FPHAJXFPVOQCFM-OAHLLOKOSA-N 1 0 321.473 0.856 10 0 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OBHXUJYYYPNHLM-KBPBESRZSA-N 1 0 311.426 0.567 10 0 DCAERO CCC[NH2+]CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000236759854 395897679 /nfs/dbraw/zinc/89/76/79/395897679.db2.gz KWMUYVJMULAFIS-UHFFFAOYSA-N 1 0 318.465 0.920 10 0 DCAERO CCC(CC)(C[NH3+])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000236761097 395898062 /nfs/dbraw/zinc/89/80/62/395898062.db2.gz WBDGCPLLHGKGAF-UHFFFAOYSA-N 1 0 318.377 0.324 10 0 DCAERO CC1(C)NC(=O)N(CCCC(=O)N2CCN(C3CC3)CC2)C1=O ZINC000124837872 395901559 /nfs/dbraw/zinc/90/15/59/395901559.db2.gz DUDFLEJEQBMLHA-UHFFFAOYSA-N 1 0 322.409 0.404 10 0 DCAERO COC(=O)c1c(C)cccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000124749127 395901600 /nfs/dbraw/zinc/90/16/00/395901600.db2.gz KMPNNCORIAHBRX-NSHDSACASA-N 1 0 312.391 0.893 10 0 DCAERO C[C@@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCC[NH2+]1 ZINC000237483403 395913576 /nfs/dbraw/zinc/91/35/76/395913576.db2.gz LVWIWQGKVIWPEQ-ZDUSSCGKSA-N 1 0 303.428 0.013 10 0 DCAERO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC[NH3+])C2=O ZINC000237648301 395916721 /nfs/dbraw/zinc/91/67/21/395916721.db2.gz QLXUMKCOEUENRO-BZNIZROVSA-N 1 0 324.425 0.588 10 0 DCAERO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000134074450 395930949 /nfs/dbraw/zinc/93/09/49/395930949.db2.gz TZIRTRAVKFKEBM-HZPDHXFCSA-N 1 0 319.405 0.664 10 0 DCAERO O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000238090790 395921051 /nfs/dbraw/zinc/92/10/51/395921051.db2.gz LPKHQCNDCNIBNX-CYBMUJFWSA-N 1 0 303.362 0.429 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1cnn(-c2ncccn2)c1 ZINC000238098257 395921168 /nfs/dbraw/zinc/92/11/68/395921168.db2.gz XIQKVJJTFHILKT-JTQLQIEISA-N 1 0 304.379 0.696 10 0 DCAERO CC(=O)N1CCN(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273473638 395923697 /nfs/dbraw/zinc/92/36/97/395923697.db2.gz HLBIAJFJTYGCGX-UHFFFAOYSA-N 1 0 319.409 0.042 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNC(=O)CCc2ccnn2C)C[C@H](C)O1 ZINC000119257720 395868939 /nfs/dbraw/zinc/86/89/39/395868939.db2.gz WEAVHINPABPFQL-OKILXGFUSA-N 1 0 308.426 0.968 10 0 DCAERO 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/nfs/dbraw/zinc/94/52/68/395945268.db2.gz VHPZLTOSIHPEKJ-MGPQQGTHSA-N 1 0 318.483 0.962 10 0 DCAERO O=C([C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1)N1CCOCC1 ZINC000246292242 395946102 /nfs/dbraw/zinc/94/61/02/395946102.db2.gz AIVQQKDUQIGVSG-KBPBESRZSA-N 1 0 310.394 0.510 10 0 DCAERO CCCNC(=O)CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246680424 395956003 /nfs/dbraw/zinc/95/60/03/395956003.db2.gz IPSOQRUTUGQWGO-KBPBESRZSA-N 1 0 313.442 0.596 10 0 DCAERO COc1ccc(C(=O)NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246788466 395958236 /nfs/dbraw/zinc/95/82/36/395958236.db2.gz ZWDPWEIDUDGSQX-AWEZNQCLSA-N 1 0 317.389 0.732 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000246956813 395961542 /nfs/dbraw/zinc/96/15/42/395961542.db2.gz KXKLZIIKAAIZGA-HZPDHXFCSA-N 1 0 324.469 0.977 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246942946 395961583 /nfs/dbraw/zinc/96/15/83/395961583.db2.gz KCSRNAZHBCEQSF-NEPJUHHUSA-N 1 0 306.428 0.588 10 0 DCAERO 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/nfs/dbraw/zinc/97/25/13/395972513.db2.gz XJJHQOUVUZNMFD-OLZOCXBDSA-N 1 0 306.414 0.576 10 0 DCAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247412919 395973068 /nfs/dbraw/zinc/97/30/68/395973068.db2.gz SYPRIRBICZNYMM-STQMWFEESA-N 1 0 304.398 0.473 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000247511414 395974902 /nfs/dbraw/zinc/97/49/02/395974902.db2.gz VWMCPPLLSCZLEC-JSGCOSHPSA-N 1 0 317.389 0.859 10 0 DCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000247563480 395976302 /nfs/dbraw/zinc/97/63/02/395976302.db2.gz VDUGDZXEORCJSO-MGPQQGTHSA-N 1 0 306.410 0.845 10 0 DCAERO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247563878 395976409 /nfs/dbraw/zinc/97/64/09/395976409.db2.gz VGVZIQRBVFRSGV-WDEREUQCSA-N 1 0 305.382 0.586 10 0 DCAERO COCC[N@@H+]1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000247816437 395978896 /nfs/dbraw/zinc/97/88/96/395978896.db2.gz WHJKKWUZYWUGSZ-NWDGAFQWSA-N 1 0 323.445 0.233 10 0 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/nfs/dbraw/zinc/06/00/77/396060077.db2.gz FUFHIWVIKOLPAI-ZIAGYGMSSA-N 1 0 305.426 0.895 10 0 DCAERO NC(=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000156678532 396061766 /nfs/dbraw/zinc/06/17/66/396061766.db2.gz OUAGMVNMVVQQSL-XQQFMLRXSA-N 1 0 308.426 0.814 10 0 DCAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000159259483 396066612 /nfs/dbraw/zinc/06/66/12/396066612.db2.gz AAMIZURENOADSR-MELADBBJSA-N 1 0 304.456 0.893 10 0 DCAERO C[NH+](C)[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC000277464808 396069269 /nfs/dbraw/zinc/06/92/69/396069269.db2.gz OKVNKIMKYFFUHW-ZIAGYGMSSA-N 1 0 305.426 0.968 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000152298496 396005843 /nfs/dbraw/zinc/00/58/43/396005843.db2.gz LZCXSTIFLAUKNA-RRFJBIMHSA-N 1 0 322.453 0.269 10 0 DCAERO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249421684 396008082 /nfs/dbraw/zinc/00/80/82/396008082.db2.gz DIIGNRXRGGOXQJ-FOGDFJRCSA-N 1 0 321.343 0.902 10 0 DCAERO [NH3+][C@H](C(=O)NCCNC(=O)c1ccccc1F)C1CCOCC1 ZINC000261992670 396087356 /nfs/dbraw/zinc/08/73/56/396087356.db2.gz MWGUQAHAWDRDEH-AWEZNQCLSA-N 1 0 323.368 0.426 10 0 DCAERO COc1cc(CNC(N)=O)ccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000169336705 396090295 /nfs/dbraw/zinc/09/02/95/396090295.db2.gz WASDKWTYNZIMLZ-LBPRGKRZSA-N 1 0 311.382 0.601 10 0 DCAERO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262044896 396093280 /nfs/dbraw/zinc/09/32/80/396093280.db2.gz YZJSXACWGLOGOL-MJBXVCDLSA-N 1 0 319.471 0.061 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cnc4n3CCC4)C[C@H]21 ZINC000262101690 396098803 /nfs/dbraw/zinc/09/88/03/396098803.db2.gz SXHCSPUAOXKYLS-IJLUTSLNSA-N 1 0 310.423 0.577 10 0 DCAERO CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170845351 396099007 /nfs/dbraw/zinc/09/90/07/396099007.db2.gz VFSATFICLYMDEO-CQSZACIVSA-N 1 0 318.377 0.746 10 0 DCAERO CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070574374 396102886 /nfs/dbraw/zinc/10/28/86/396102886.db2.gz UJAVAEOOAIRTGW-QWRGUYRKSA-N 1 0 303.428 0.044 10 0 DCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000171604382 396119540 /nfs/dbraw/zinc/11/95/40/396119540.db2.gz UPIMMJJDWVXBIQ-ZDUSSCGKSA-N 1 0 322.413 0.582 10 0 DCAERO Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1S(N)(=O)=O ZINC000171627244 396120910 /nfs/dbraw/zinc/12/09/10/396120910.db2.gz QMEIRCVWCDHBAE-CYBMUJFWSA-N 1 0 323.418 0.563 10 0 DCAERO O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000262457123 396142988 /nfs/dbraw/zinc/14/29/88/396142988.db2.gz IGGRPRZLBBHABL-CYBMUJFWSA-N 1 0 306.385 0.744 10 0 DCAERO CCCNC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000171883069 396127361 /nfs/dbraw/zinc/12/73/61/396127361.db2.gz UGJAEMJFSMICIX-AWEZNQCLSA-N 1 0 311.426 0.208 10 0 DCAERO CN[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378071 396132569 /nfs/dbraw/zinc/13/25/69/396132569.db2.gz MOLRYKJMIOQMTL-HUUCEWRRSA-N 1 0 305.426 0.767 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000173843219 396136306 /nfs/dbraw/zinc/13/63/06/396136306.db2.gz VQPWEHPLQBLBGS-ZBFHGGJFSA-N 1 0 322.453 0.587 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(CCc3ccccc3)CC2)CCOCC1 ZINC000261873269 396074004 /nfs/dbraw/zinc/07/40/04/396074004.db2.gz OKTJJPIUOKTZCR-UHFFFAOYSA-N 1 0 317.433 0.881 10 0 DCAERO C[C@]1(CNC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000162347221 396080510 /nfs/dbraw/zinc/08/05/10/396080510.db2.gz RJGUWFUHMNPASW-MRXNPFEDSA-N 1 0 314.393 0.844 10 0 DCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261928231 396080508 /nfs/dbraw/zinc/08/05/08/396080508.db2.gz ZNURBBGLJAIWAC-HIFRSBDPSA-N 1 0 311.426 0.648 10 0 DCAERO CN(CC(=O)N(C)C1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000261934809 396080901 /nfs/dbraw/zinc/08/09/01/396080901.db2.gz KEGYCJXAGXZBML-UHFFFAOYSA-N 1 0 310.442 0.141 10 0 DCAERO C[C@H](C(=O)N1CCCC1)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261965985 396084788 /nfs/dbraw/zinc/08/47/88/396084788.db2.gz HTGSNVPLAMXQMC-NVXWUHKLSA-N 1 0 308.470 0.615 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC[NH2+]1 ZINC000262474854 396144202 /nfs/dbraw/zinc/14/42/02/396144202.db2.gz XEVJKBRCPYCBNB-CYDGBPFRSA-N 1 0 317.455 0.209 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262514839 396149998 /nfs/dbraw/zinc/14/99/98/396149998.db2.gz KBDYWJIQVARQKS-LSDHHAIUSA-N 1 0 319.405 0.181 10 0 DCAERO Cc1ccc(NC(=O)CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(Cl)c1 ZINC000262561251 396155523 /nfs/dbraw/zinc/15/55/23/396155523.db2.gz WILMMVQXWZDOCQ-SKDRFNHKSA-N 1 0 311.769 0.426 10 0 DCAERO COc1ccc(CCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000262572640 396156983 /nfs/dbraw/zinc/15/69/83/396156983.db2.gz ZHJAJFKDBSZNPJ-STQMWFEESA-N 1 0 308.378 0.475 10 0 DCAERO Cc1nn(C)c(C)c1CCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263262294 396210510 /nfs/dbraw/zinc/21/05/10/396210510.db2.gz RDRGSBOXOUWRNS-ZDUSSCGKSA-N 1 0 304.398 0.781 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000262729875 396176601 /nfs/dbraw/zinc/17/66/01/396176601.db2.gz HVATZHVVVWQJMG-FZMZJTMJSA-N 1 0 307.369 0.599 10 0 DCAERO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)C1C[NH2+]C1 ZINC000263274158 396211352 /nfs/dbraw/zinc/21/13/52/396211352.db2.gz IQZAVMCJDWHJBQ-HNNXBMFYSA-N 1 0 301.390 0.556 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000262805068 396183683 /nfs/dbraw/zinc/18/36/83/396183683.db2.gz WMKQBXIXYLFHRE-PSASIEDQSA-N 1 0 318.420 0.811 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCn1nc2ccccn2c1=O ZINC000262853243 396187940 /nfs/dbraw/zinc/18/79/40/396187940.db2.gz SOHTVJVUJWKHJE-VXGBXAGGSA-N 1 0 303.366 0.000 10 0 DCAERO C[C@@H](NC(=O)c1ccoc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263289245 396212190 /nfs/dbraw/zinc/21/21/90/396212190.db2.gz VKNOJAYRIDNOMY-KOLCDFICSA-N 1 0 305.338 0.730 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NC(=O)NC2CCCC2)CCO1 ZINC000178617272 396201031 /nfs/dbraw/zinc/20/10/31/396201031.db2.gz BCYMCBDIYKEKOM-CYBMUJFWSA-N 1 0 312.414 0.017 10 0 DCAERO COc1ccc(-c2n[nH]cc2CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263149352 396203483 /nfs/dbraw/zinc/20/34/83/396203483.db2.gz CYSAKTLOKVLMKH-SWLSCSKDSA-N 1 0 302.378 0.755 10 0 DCAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000182013784 396244720 /nfs/dbraw/zinc/24/47/20/396244720.db2.gz MLZLDQFZCPFDFH-LLVKDONJSA-N 1 0 309.395 0.597 10 0 DCAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000182013765 396245072 /nfs/dbraw/zinc/24/50/72/396245072.db2.gz MLZLDQFZCPFDFH-NSHDSACASA-N 1 0 309.395 0.597 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCn2ccnn2)C1 ZINC000183571865 396270851 /nfs/dbraw/zinc/27/08/51/396270851.db2.gz DIVJWCDFPUNRNS-AWEZNQCLSA-N 1 0 324.429 0.324 10 0 DCAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000183666599 396273044 /nfs/dbraw/zinc/27/30/44/396273044.db2.gz RHLCQVYJILPZDX-WFASDCNBSA-N 1 0 319.405 0.422 10 0 DCAERO C[N@H+](CCNC(=O)Cn1cnc2c1ncnc2N)C1CCCC1 ZINC000264392614 396275929 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TWLUHKCIMHISJQ-UKRRQHHQSA-N 1 0 306.362 0.946 10 0 DCAERO CN1CCC(CNC(=O)C2(O)CCC2)([NH+]2CCCCC2)CC1 ZINC000187329387 396367840 /nfs/dbraw/zinc/36/78/40/396367840.db2.gz FLLXXPNDEROKMF-UHFFFAOYSA-N 1 0 309.454 0.968 10 0 DCAERO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000187385326 396368833 /nfs/dbraw/zinc/36/88/33/396368833.db2.gz JUWRHMNBESRIPD-LLVKDONJSA-N 1 0 309.341 0.935 10 0 DCAERO O=C(NCC[N@@H+]1CCCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000187656412 396372302 /nfs/dbraw/zinc/37/23/02/396372302.db2.gz ZXHYPZBLLPJMLA-UHFFFAOYSA-N 1 0 316.361 0.375 10 0 DCAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000187741433 396373711 /nfs/dbraw/zinc/37/37/11/396373711.db2.gz ZGFQAYLBPWWGQS-KOLCDFICSA-N 1 0 304.437 0.709 10 0 DCAERO Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000285707963 396351765 /nfs/dbraw/zinc/35/17/65/396351765.db2.gz BRQGDEZXNCBVLB-UKRRQHHQSA-N 1 0 319.405 0.543 10 0 DCAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1cn2ccnc2s1 ZINC000188501925 396383078 /nfs/dbraw/zinc/38/30/78/396383078.db2.gz LBFUDMSIZVSLMF-NSHDSACASA-N 1 0 306.391 0.989 10 0 DCAERO C[C@@]12CCC(=O)N1[C@H](C(=O)N1CC[NH+]3CCC1CC3)CS2 ZINC000188644791 396384430 /nfs/dbraw/zinc/38/44/30/396384430.db2.gz GHHNVSUSODIUSI-SWLSCSKDSA-N 1 0 309.435 0.747 10 0 DCAERO Cc1c(C(=O)N2CCN(CCO)[C@H](C)C2)cnn1CC(C)C ZINC000188761476 396385586 /nfs/dbraw/zinc/38/55/86/396385586.db2.gz JLORAAZGGPVXCF-CYBMUJFWSA-N 1 0 308.426 0.986 10 0 DCAERO CN1C(=O)c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2C1=O ZINC000188857051 396388105 /nfs/dbraw/zinc/38/81/05/396388105.db2.gz NVCNZGQEIZHXSM-UHFFFAOYSA-N 1 0 313.357 0.833 10 0 DCAERO C[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1n1ccnc1 ZINC000188948879 396389068 /nfs/dbraw/zinc/38/90/68/396389068.db2.gz FKHADGJSNCNDKL-SMDDNHRTSA-N 1 0 314.393 0.975 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189138291 396391019 /nfs/dbraw/zinc/39/10/19/396391019.db2.gz GTTMBYXASBBGIT-VXGBXAGGSA-N 1 0 308.444 0.691 10 0 DCAERO C[C@@H]1C(=O)NCCCN1CC(=O)NC(=O)NCc1cccs1 ZINC000189341502 396394487 /nfs/dbraw/zinc/39/44/87/396394487.db2.gz NXJPPPJSWPGMDC-SNVBAGLBSA-N 1 0 324.406 0.284 10 0 DCAERO CCS(=O)(=O)CCCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000190527899 396407740 /nfs/dbraw/zinc/40/77/40/396407740.db2.gz HJVIAXYEJMODHD-CQSZACIVSA-N 1 0 306.472 0.854 10 0 DCAERO CN1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000191138652 396415671 /nfs/dbraw/zinc/41/56/71/396415671.db2.gz YQSJUUUXQXMVRO-UHFFFAOYSA-N 1 0 318.377 0.278 10 0 DCAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000192104616 396429532 /nfs/dbraw/zinc/42/95/32/396429532.db2.gz YCWBSROAEGSBRD-WDEREUQCSA-N 1 0 315.368 0.906 10 0 DCAERO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000192918164 396440107 /nfs/dbraw/zinc/44/01/07/396440107.db2.gz QSAOANRMZNYZFL-VXGBXAGGSA-N 1 0 311.407 0.947 10 0 DCAERO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccnn1C ZINC000193009871 396442415 /nfs/dbraw/zinc/44/24/15/396442415.db2.gz 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ZINC000562249212 396653744 /nfs/dbraw/zinc/65/37/44/396653744.db2.gz OCLOBEMQPHJLAE-RRFJBIMHSA-N 1 0 314.474 0.983 10 0 DCAERO O=C(C1=COCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374527175 396669667 /nfs/dbraw/zinc/66/96/67/396669667.db2.gz OKXDLISXJVLKFH-UHFFFAOYSA-N 1 0 310.394 0.366 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)O1 ZINC000374523721 396670224 /nfs/dbraw/zinc/67/02/24/396670224.db2.gz XDHZLAMRNYAHKS-OLZOCXBDSA-N 1 0 305.382 0.022 10 0 DCAERO CC(=O)CC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295248955 396687606 /nfs/dbraw/zinc/68/76/06/396687606.db2.gz QFIYAZSUONWMNK-UHFFFAOYSA-N 1 0 313.423 0.681 10 0 DCAERO CC(C)Cc1nsc(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000302233119 396718915 /nfs/dbraw/zinc/71/89/15/396718915.db2.gz FLBKESNQJGBSLA-UHFFFAOYSA-N 1 0 311.455 0.947 10 0 DCAERO [NH3+]Cc1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)nn1 ZINC000303430848 396724976 /nfs/dbraw/zinc/72/49/76/396724976.db2.gz BRDJMGCLEQECHO-UHFFFAOYSA-N 1 0 314.393 0.081 10 0 DCAERO Cc1cnc([C@H](C)NS(=O)(=O)C[C@H]2C[NH2+]CCO2)s1 ZINC000311893631 396761937 /nfs/dbraw/zinc/76/19/37/396761937.db2.gz DOXXJLNZWACICK-VHSXEESVSA-N 1 0 305.425 0.420 10 0 DCAERO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCc2nccn2C1 ZINC000328638159 396828039 /nfs/dbraw/zinc/82/80/39/396828039.db2.gz OZFLHCPAMQNMCH-LSDHHAIUSA-N 1 0 308.426 0.070 10 0 DCAERO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCc2nccn2C1 ZINC000328638157 396829534 /nfs/dbraw/zinc/82/95/34/396829534.db2.gz OZFLHCPAMQNMCH-GJZGRUSLSA-N 1 0 308.426 0.070 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)C[C@H]1O ZINC000328655990 396831519 /nfs/dbraw/zinc/83/15/19/396831519.db2.gz YXJMMLMBJKDFGB-GBJTYRQASA-N 1 0 324.425 0.549 10 0 DCAERO COC(=O)[C@H](C)N(C[C@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC000564836042 396877760 /nfs/dbraw/zinc/87/77/60/396877760.db2.gz FXZZTYDPSUGBGQ-QEJZJMRPSA-N 1 0 315.410 0.959 10 0 DCAERO CCc1n[nH]cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591185164 396884891 /nfs/dbraw/zinc/88/48/91/396884891.db2.gz TZSUCPMWAFTJDZ-NSHDSACASA-N 1 0 307.398 0.289 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332821250 396894963 /nfs/dbraw/zinc/89/49/63/396894963.db2.gz BARHWLURQLEFJL-IGQOVBAYSA-N 1 0 322.413 0.200 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)N(C(C)=O)C1 ZINC000332919377 396906550 /nfs/dbraw/zinc/90/65/50/396906550.db2.gz LWBWEFYXSOJJIE-UQOMUDLDSA-N 1 0 311.426 0.467 10 0 DCAERO CCS(=O)(=O)C1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634771610 396913428 /nfs/dbraw/zinc/91/34/28/396913428.db2.gz BBBCKSFEBILKNJ-FZMZJTMJSA-N 1 0 300.424 0.460 10 0 DCAERO CNC(=O)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000333582743 396928399 /nfs/dbraw/zinc/92/83/99/396928399.db2.gz UIGCDTMSSKSTDP-UONOGXRCSA-N 1 0 310.442 0.884 10 0 DCAERO Cn1cc(O[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)cn1 ZINC000625624344 396956521 /nfs/dbraw/zinc/95/65/21/396956521.db2.gz JRPTWRUIJFUIJI-HZPDHXFCSA-N 1 0 303.362 0.923 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCOCC1CCC1 ZINC000572810520 397097497 /nfs/dbraw/zinc/09/74/97/397097497.db2.gz GEZOUGGSQOYZMU-AWEZNQCLSA-N 1 0 312.458 0.738 10 0 DCAERO c1ncn(CCc2cn(CCC[NH+]3CCSCC3)nn2)n1 ZINC000630590154 397056500 /nfs/dbraw/zinc/05/65/00/397056500.db2.gz VWKNWOYCNHTCJJ-UHFFFAOYSA-N 1 0 307.427 0.551 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000573536041 397177761 /nfs/dbraw/zinc/17/77/61/397177761.db2.gz RDUYWCUAFDFFKQ-RHSMWYFYSA-N 1 0 323.437 0.568 10 0 DCAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385826891 397285485 /nfs/dbraw/zinc/28/54/85/397285485.db2.gz SNAAPWRJSNFDFN-MELADBBJSA-N 1 0 304.456 0.751 10 0 DCAERO CC(C)(CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccs1 ZINC000394256176 397308422 /nfs/dbraw/zinc/30/84/22/397308422.db2.gz IHSXOAMKLZNAOO-LLVKDONJSA-N 1 0 318.464 0.934 10 0 DCAERO C[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1[NH+](C)C ZINC000407951214 397333524 /nfs/dbraw/zinc/33/35/24/397333524.db2.gz RRVITDWZURBDKX-OLZOCXBDSA-N 1 0 308.426 0.733 10 0 DCAERO c1nnc2ccc(N3CC[NH+](C[C@H]4CCCOC4)CC3)nn12 ZINC000407950536 397334186 /nfs/dbraw/zinc/33/41/86/397334186.db2.gz ANFBQIIKUJFITN-CYBMUJFWSA-N 1 0 302.382 0.673 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)N(C)C1 ZINC000408045714 397345059 /nfs/dbraw/zinc/34/50/59/397345059.db2.gz HZEMHKCNWAXUIF-RDBSUJKOSA-N 1 0 313.442 0.009 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000577652748 397350802 /nfs/dbraw/zinc/35/08/02/397350802.db2.gz XVGFIMZTEXORGV-MJBXVCDLSA-N 1 0 309.410 0.223 10 0 DCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404055772 397325625 /nfs/dbraw/zinc/32/56/25/397325625.db2.gz BADPCVPXUYUJAB-UONOGXRCSA-N 1 0 301.346 0.303 10 0 DCAERO Cc1nc2c(nccc2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000366683254 397389138 /nfs/dbraw/zinc/38/91/38/397389138.db2.gz RPYHRCFWMBKYCT-NWDGAFQWSA-N 1 0 315.377 0.859 10 0 DCAERO C[C@@H](CO)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000608498295 397735548 /nfs/dbraw/zinc/73/55/48/397735548.db2.gz GORTURKGBDOKTE-LLVKDONJSA-N 1 0 302.396 0.273 10 0 DCAERO COc1ccc(C(=O)NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178624020 286285304 /nfs/dbraw/zinc/28/53/04/286285304.db2.gz ZWDPWEIDUDGSQX-CQSZACIVSA-N 1 0 317.389 0.732 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000066106016 158035501 /nfs/dbraw/zinc/03/55/01/158035501.db2.gz SCBJXIOMHSQZSZ-MJBXVCDLSA-N 1 0 317.455 0.511 10 0 DCAERO C(CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968721 158063487 /nfs/dbraw/zinc/06/34/87/158063487.db2.gz GKWQUGUWKJBOQF-QGZVFWFLSA-N 1 0 311.470 0.895 10 0 DCAERO C[NH+](C)C1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000075873631 158063858 /nfs/dbraw/zinc/06/38/58/158063858.db2.gz WRFTWBUNGSWOSD-UHFFFAOYSA-N 1 0 305.378 0.717 10 0 DCAERO CC(C)[N@H+](CC(=O)NCC(=O)N1CCCC1)C1CCOCC1 ZINC000077322970 158067919 /nfs/dbraw/zinc/06/79/19/158067919.db2.gz 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ZINC000116793423 158167659 /nfs/dbraw/zinc/16/76/59/158167659.db2.gz WGQSOUMIQSZIRH-MRXNPFEDSA-N 1 0 322.405 0.871 10 0 DCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117299239 158170417 /nfs/dbraw/zinc/17/04/17/158170417.db2.gz WRULQMJCSQSRCV-CQSZACIVSA-N 1 0 313.442 0.862 10 0 DCAERO CC(C)NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117467797 158171896 /nfs/dbraw/zinc/17/18/96/158171896.db2.gz ICXUKBQCVXYGBX-OAHLLOKOSA-N 1 0 312.458 0.831 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)CC(C)C ZINC000118975496 158180634 /nfs/dbraw/zinc/18/06/34/158180634.db2.gz QTNKNFMRBJYPHI-CQSZACIVSA-N 1 0 313.442 0.766 10 0 DCAERO CC[NH+](CC)CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119962679 158191738 /nfs/dbraw/zinc/19/17/38/158191738.db2.gz DRBYWLMRGFCNLX-CYBMUJFWSA-N 1 0 317.455 0.355 10 0 DCAERO Cn1ccnc1C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000119986591 158192250 /nfs/dbraw/zinc/19/22/50/158192250.db2.gz MRGIKQWZSVKEGA-GFCCVEGCSA-N 1 0 300.428 0.224 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000120581041 158200627 /nfs/dbraw/zinc/20/06/27/158200627.db2.gz KMSHVCQABINXKK-IHRRRGAJSA-N 1 0 323.441 0.668 10 0 DCAERO Cn1ccnc1CC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000122020975 158217258 /nfs/dbraw/zinc/21/72/58/158217258.db2.gz BYFWKOBAGXHNQM-AWEZNQCLSA-N 1 0 306.410 0.532 10 0 DCAERO [NH3+]CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000122699718 158223255 /nfs/dbraw/zinc/22/32/55/158223255.db2.gz ARGHXCGSVHAYAT-UHFFFAOYSA-N 1 0 306.771 0.738 10 0 DCAERO CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000124191352 158239842 /nfs/dbraw/zinc/23/98/42/158239842.db2.gz QIZNTKTZLYAIJV-WQGACYEGSA-N 1 0 324.425 0.648 10 0 DCAERO C[C@H](CNC(=O)c1cnn2c1CCCC2)C[NH+]1CCN(C)CC1 ZINC000127002263 158269881 /nfs/dbraw/zinc/26/98/81/158269881.db2.gz UKPNDIRAKRVTSW-CQSZACIVSA-N 1 0 319.453 0.833 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000128439060 158280873 /nfs/dbraw/zinc/28/08/73/158280873.db2.gz 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/nfs/dbraw/zinc/15/02/88/416150288.db2.gz KHIYNEMIEJHRBJ-CYBMUJFWSA-N 1 0 308.426 0.877 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000329120847 416151018 /nfs/dbraw/zinc/15/10/18/416151018.db2.gz KIBJXKSIZFVTHP-DUVNUKRYSA-N 1 0 309.410 0.055 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC000329167784 416155078 /nfs/dbraw/zinc/15/50/78/416155078.db2.gz ILPCHMWZONKTLV-GHMZBOCLSA-N 1 0 324.381 0.089 10 0 DCAERO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179719665 416192972 /nfs/dbraw/zinc/19/29/72/416192972.db2.gz WBECZGHBVZVHSG-LBPRGKRZSA-N 1 0 313.423 0.172 10 0 DCAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)NC3CCOCC3)C2)CC1 ZINC000180417602 416196275 /nfs/dbraw/zinc/19/62/75/416196275.db2.gz ADQMEYSBHIFIIP-INIZCTEOSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183025924 416233949 /nfs/dbraw/zinc/23/39/49/416233949.db2.gz MLZATQUQOHJHEY-RYUDHWBXSA-N 1 0 300.428 0.412 10 0 DCAERO 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/nfs/dbraw/zinc/16/50/71/416165071.db2.gz RIRNQOYQDPRBIL-HZPDHXFCSA-N 1 0 315.417 0.885 10 0 DCAERO CCC[C@@H](NC(N)=O)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000183549042 416245854 /nfs/dbraw/zinc/24/58/54/416245854.db2.gz LZDZNEWDICMBIK-CYBMUJFWSA-N 1 0 319.409 0.957 10 0 DCAERO O=C(Nc1nc2ccccn2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000184341185 416252980 /nfs/dbraw/zinc/25/29/80/416252980.db2.gz KXEIIEUZCPAABG-GFCCVEGCSA-N 1 0 316.365 0.668 10 0 DCAERO CC(C)(O)C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000189892544 416271845 /nfs/dbraw/zinc/27/18/45/416271845.db2.gz CKXURIAAQCXBAC-GFCCVEGCSA-N 1 0 304.456 0.893 10 0 DCAERO Cc1ccc(C)c(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000190042503 416274124 /nfs/dbraw/zinc/27/41/24/416274124.db2.gz CMKOLFGNLXNZGV-CQSZACIVSA-N 1 0 319.405 0.767 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c(C)c1 ZINC000190033486 416274604 /nfs/dbraw/zinc/27/46/04/416274604.db2.gz CSFSWMGBKSCUNT-CQSZACIVSA-N 1 0 319.405 0.767 10 0 DCAERO 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/nfs/dbraw/zinc/75/46/90/416754690.db2.gz NIYLWQZYKVWYGC-UONOGXRCSA-N 1 0 303.472 0.861 10 0 DCAERO C(c1nnnn1CC1CCOCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890383 416778547 /nfs/dbraw/zinc/77/85/47/416778547.db2.gz PDPWJUYTJBWZET-LSDHHAIUSA-N 1 0 320.441 0.674 10 0 DCAERO Cc1ccc(CN(C)S(=O)(=O)C[C@H]2C[NH2+]CCO2)s1 ZINC000631917446 416798619 /nfs/dbraw/zinc/79/86/19/416798619.db2.gz KEVXQMKKHDDCHR-LLVKDONJSA-N 1 0 304.437 0.807 10 0 DCAERO Cc1ccc(CNC(=O)NCCNc2cc[nH+]cc2)c(=O)n1C ZINC000559143879 416800493 /nfs/dbraw/zinc/80/04/93/416800493.db2.gz NJSHPODTCUYPOV-UHFFFAOYSA-N 1 0 315.377 0.422 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2ccsc2C1 ZINC000631928650 416808549 /nfs/dbraw/zinc/80/85/49/416808549.db2.gz JEBSDESQWJGUCE-NSHDSACASA-N 1 0 302.421 0.424 10 0 DCAERO C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1CC(C)(C)O ZINC000369760815 416825179 /nfs/dbraw/zinc/82/51/79/416825179.db2.gz RJGXNRSOJWZMNI-BLLLJJGKSA-N 1 0 311.426 0.206 10 0 DCAERO c1nnc2ccc(N3CC[C@@H]([NH2+]Cc4cc5n(n4)CCC5)C3)nn12 ZINC000623651812 416864473 /nfs/dbraw/zinc/86/44/73/416864473.db2.gz WCLVNJBFSJFBTE-GFCCVEGCSA-N 1 0 324.392 0.636 10 0 DCAERO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccncc1F ZINC000623616953 416851960 /nfs/dbraw/zinc/85/19/60/416851960.db2.gz OHNWMZMJZCINJJ-INIZCTEOSA-N 1 0 309.385 0.926 10 0 DCAERO c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N2CCOCC2)n1 ZINC000372706025 416942593 /nfs/dbraw/zinc/94/25/93/416942593.db2.gz LYYQOAMNISZKMQ-UONOGXRCSA-N 1 0 303.410 1.352 10 0 DCAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000447347327 416994541 /nfs/dbraw/zinc/99/45/41/416994541.db2.gz KKMYSHOEVGMRRN-MCIONIFRSA-N 1 0 302.415 0.389 10 0 DCAERO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000447397157 416996275 /nfs/dbraw/zinc/99/62/75/416996275.db2.gz YXIPFNDDMVRTHV-QJPTWQEYSA-N 1 0 315.332 0.646 10 0 DCAERO C[C@H]([NH3+])[C@H]1CN(Cc2c(Br)cnn2C)CCO1 ZINC000383799319 417089469 /nfs/dbraw/zinc/08/94/69/417089469.db2.gz SOEKAVCOHBYQIN-GZMMTYOYSA-N 1 0 303.204 0.731 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H](CC)CO1 ZINC000403712230 417115431 /nfs/dbraw/zinc/11/54/31/417115431.db2.gz BRWAYVBFJZIABQ-YNEHKIRRSA-N 1 0 306.428 0.194 10 0 DCAERO CC(C)O[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000404767060 417119750 /nfs/dbraw/zinc/11/97/50/417119750.db2.gz WXMGVIOEZFIRNO-CHWSQXEVSA-N 1 0 306.428 0.194 10 0 DCAERO O=C(C1CCC1)N1CCN(CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000437803144 287364884 /nfs/dbraw/zinc/36/48/84/287364884.db2.gz UAONCKKIFISAHU-OAHLLOKOSA-N 1 0 309.454 0.947 10 0 DCAERO C[C@H]1C[C@H]1c1nnc2ccc(N3CC[NH+](CCCO)CC3)nn21 ZINC000450295087 417214177 /nfs/dbraw/zinc/21/41/77/417214177.db2.gz UWASXGBJIXZUQZ-QWHCGFSZSA-N 1 0 316.409 0.752 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643624169 417268090 /nfs/dbraw/zinc/26/80/90/417268090.db2.gz LPYPFCUQHAXRFP-CQSZACIVSA-N 1 0 305.378 0.127 10 0 DCAERO CCc1ncc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000438428463 287370626 /nfs/dbraw/zinc/37/06/26/287370626.db2.gz HBDOANNEIMRSES-UHFFFAOYSA-N 1 0 314.349 0.023 10 0 DCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000528056650 417299486 /nfs/dbraw/zinc/29/94/86/417299486.db2.gz JOKZGBNNZKAQMJ-VXGBXAGGSA-N 1 0 305.444 0.307 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)CC)CC12COC2 ZINC000451128198 417300645 /nfs/dbraw/zinc/30/06/45/417300645.db2.gz BGQFHVPOCSVGOT-AGIUHOORSA-N 1 0 312.410 0.801 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCCN2CCOCC2)CC12COC2 ZINC000451134669 417300961 /nfs/dbraw/zinc/30/09/61/417300961.db2.gz LIXYCIFVSFCVML-CQSZACIVSA-N 1 0 312.410 0.220 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451135053 417303552 /nfs/dbraw/zinc/30/35/52/417303552.db2.gz MDAKTTYYQJPJTK-KBPBESRZSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451135057 417307896 /nfs/dbraw/zinc/30/78/96/417307896.db2.gz MDAKTTYYQJPJTK-ZIAGYGMSSA-N 1 0 324.421 0.899 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633038115 417330031 /nfs/dbraw/zinc/33/00/31/417330031.db2.gz NYFSRFXRJZRTRQ-ZYHUDNBSSA-N 1 0 318.377 0.556 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638771812 417553851 /nfs/dbraw/zinc/55/38/51/417553851.db2.gz RZINWVLDAYIPBL-TUAOUCFPSA-N 1 0 303.428 0.057 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000531807105 417641046 /nfs/dbraw/zinc/64/10/46/417641046.db2.gz NTWUDFVOYIYZJZ-LBPRGKRZSA-N 1 0 309.418 0.329 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000532116946 417660625 /nfs/dbraw/zinc/66/06/25/417660625.db2.gz LDGKLGABWAIBDF-VXGBXAGGSA-N 1 0 309.414 0.326 10 0 DCAERO CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639356771 417665112 /nfs/dbraw/zinc/66/51/12/417665112.db2.gz GWZMANXRPKDMIM-ARFHVFGLSA-N 1 0 302.378 0.753 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457919961 417708822 /nfs/dbraw/zinc/70/88/22/417708822.db2.gz AMWHENUOESPKRY-HZSPNIEDSA-N 1 0 324.429 0.059 10 0 DCAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CCNCC1=O ZINC000646293740 417829272 /nfs/dbraw/zinc/82/92/72/417829272.db2.gz FBBXGKRWGCXRJC-AWEZNQCLSA-N 1 0 318.421 0.055 10 0 DCAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630043088 417809345 /nfs/dbraw/zinc/80/93/45/417809345.db2.gz UILPWESNFZQCJJ-WBVHZDCISA-N 1 0 321.417 0.871 10 0 DCAERO C[C@H]1CN(C2CC2)CC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000630048239 417810410 /nfs/dbraw/zinc/81/04/10/417810410.db2.gz YZXUUSUPLFEZGN-GDBMZVCRSA-N 1 0 312.454 0.695 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659336760 418084022 /nfs/dbraw/zinc/08/40/22/418084022.db2.gz OLRZWMQWRZCUNB-NWDGAFQWSA-N 1 0 302.440 0.693 10 0 DCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000648137742 418105043 /nfs/dbraw/zinc/10/50/43/418105043.db2.gz HDQBNETWOVAWTE-VHSXEESVSA-N 1 0 317.436 0.365 10 0 DCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCN(Cc2ccccc2)CC1 ZINC000649275665 418216958 /nfs/dbraw/zinc/21/69/58/418216958.db2.gz ZHVLVTUEVPQVHJ-INIZCTEOSA-N 1 0 303.406 0.567 10 0 DCAERO Cc1cc(F)ccc1S(=O)(=O)N1CCC(O)(C[NH3+])CC1 ZINC000019680673 261104422 /nfs/dbraw/zinc/10/44/22/261104422.db2.gz ANRFGIGEICRJJM-UHFFFAOYSA-N 1 0 302.371 0.608 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CS(C)(=O)=O ZINC000179254778 261111684 /nfs/dbraw/zinc/11/16/84/261111684.db2.gz OVZCBNQHYYFMPA-CHWSQXEVSA-N 1 0 319.471 0.839 10 0 DCAERO CCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(=O)[nH]1 ZINC000182348649 261114904 /nfs/dbraw/zinc/11/49/04/261114904.db2.gz ZCKBOGCPZHQMEN-AWEZNQCLSA-N 1 0 307.394 0.514 10 0 DCAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](CO)O1 ZINC000190002499 261133603 /nfs/dbraw/zinc/13/36/03/261133603.db2.gz KAPUSCLPQXDIDK-URGYJCLVSA-N 1 0 313.442 0.898 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCOCC(F)F)C[C@@H]1C ZINC000190267997 261134315 /nfs/dbraw/zinc/13/43/15/261134315.db2.gz ILSHGWBQJPMLCC-WDEREUQCSA-N 1 0 309.357 0.365 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000194728585 261147452 /nfs/dbraw/zinc/14/74/52/261147452.db2.gz UGYAZJVXXYGJQJ-NSHDSACASA-N 1 0 310.398 0.307 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCS(=O)(=O)NC(C)C ZINC000195185343 261150656 /nfs/dbraw/zinc/15/06/56/261150656.db2.gz OFRWDYCKNXFRAG-GFCCVEGCSA-N 1 0 322.475 0.344 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357867500 261595057 /nfs/dbraw/zinc/59/50/57/261595057.db2.gz VMGXYDHVAZWLLL-UONOGXRCSA-N 1 0 310.442 0.981 10 0 DCAERO C[N@H+](CCNC(=O)N1CCN2CCOC[C@H]2C1)C1CCCC1 ZINC000363986469 262138223 /nfs/dbraw/zinc/13/82/23/262138223.db2.gz NGECHYBZKCITOS-OAHLLOKOSA-N 1 0 310.442 0.587 10 0 DCAERO COC(=O)c1cc(C(C)(C)NC(=O)N[C@H](C)C[NH+](C)C)no1 ZINC000359654560 271139644 /nfs/dbraw/zinc/13/96/44/271139644.db2.gz SMJPCMBXHOCTNK-SECBINFHSA-N 1 0 312.370 0.946 10 0 DCAERO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000359869562 271148193 /nfs/dbraw/zinc/14/81/93/271148193.db2.gz HHYALKZQTDIADV-CYBMUJFWSA-N 1 0 322.361 0.731 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000436288757 271590085 /nfs/dbraw/zinc/59/00/85/271590085.db2.gz FXBOXXNYYHAHHA-XJKSGUPXSA-N 1 0 307.394 0.200 10 0 DCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488737424 272049212 /nfs/dbraw/zinc/04/92/12/272049212.db2.gz WYAVZJKFNLGYRI-IHRRRGAJSA-N 1 0 312.410 0.633 10 0 DCAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000488738936 272049242 /nfs/dbraw/zinc/04/92/42/272049242.db2.gz ZZONEJRRZHMCPC-MNOVXSKESA-N 1 0 311.407 0.777 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)C1 ZINC000488752476 272049913 /nfs/dbraw/zinc/04/99/13/272049913.db2.gz XMWFAONXCFURMA-BFHYXJOUSA-N 1 0 312.410 0.491 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)C2(C(=O)NC3CC3)CCC2)CC1 ZINC000523703581 272561082 /nfs/dbraw/zinc/56/10/82/272561082.db2.gz JLWHPVUPXRFJAE-UHFFFAOYSA-N 1 0 322.453 0.141 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000527343981 287692671 /nfs/dbraw/zinc/69/26/71/287692671.db2.gz OPMHXXMUKWJEHP-UHFFFAOYSA-N 1 0 307.350 0.764 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 ZINC000329563534 276234792 /nfs/dbraw/zinc/23/47/92/276234792.db2.gz SAXXSJQQKCIXBU-HZSPNIEDSA-N 1 0 319.409 0.162 10 0 DCAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000174076698 276643734 /nfs/dbraw/zinc/64/37/34/276643734.db2.gz HOYFOZUOVICTSM-KKUMJFAQSA-N 1 0 313.442 0.059 10 0 DCAERO Cn1ccc(N2CCC[C@@H](N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2=O)n1 ZINC000193598477 277198321 /nfs/dbraw/zinc/19/83/21/277198321.db2.gz QLVHESCHOUOCSC-HZSPNIEDSA-N 1 0 303.410 0.409 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000408389922 277236539 /nfs/dbraw/zinc/23/65/39/277236539.db2.gz PIKOTMKHMXSXEU-VXGBXAGGSA-N 1 0 319.409 0.853 10 0 DCAERO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000173724858 277251506 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COC(=O)[C@H]1CC(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000181375146 665561710 /nfs/dbraw/zinc/56/17/10/665561710.db2.gz UOJNZBIXANVWSD-HNNXBMFYSA-N 1 0 323.437 0.773 10 0 DCAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000261744043 658301429 /nfs/dbraw/zinc/30/14/29/658301429.db2.gz DWFWCOTXGPBHEC-GFCCVEGCSA-N 1 0 315.377 0.952 10 0 DCAERO COCC[N@H+](C)C[C@@H](O)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721409997 658580684 /nfs/dbraw/zinc/58/06/84/658580684.db2.gz JAXJJEITCWYNMD-GHMZBOCLSA-N 1 0 316.389 0.905 10 0 DCAERO CCOC(=O)[C@]1(C)CC(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000248424450 659105983 /nfs/dbraw/zinc/10/59/83/659105983.db2.gz HSRXJRHOQWZPFI-CKEIUWERSA-N 1 0 323.437 0.914 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@@H](C(F)F)C1 ZINC000194070535 659477109 /nfs/dbraw/zinc/47/71/09/659477109.db2.gz IDKPXMSQYMRIGR-GFCCVEGCSA-N 1 0 321.368 0.774 10 0 DCAERO COC[C@@H]1C[C@@H](OC)C[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000328929369 659804194 /nfs/dbraw/zinc/80/41/94/659804194.db2.gz HALJELMGKPLWCI-ZNMIVQPWSA-N 1 0 312.410 0.502 10 0 DCAERO CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000222648872 661625662 /nfs/dbraw/zinc/62/56/62/661625662.db2.gz RVYIVIXWCJOCKV-CQSZACIVSA-N 1 0 304.394 0.595 10 0 DCAERO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1 ZINC000261796664 661696889 /nfs/dbraw/zinc/69/68/89/661696889.db2.gz GSZMDAUPPDPMPJ-CQSZACIVSA-N 1 0 324.402 0.709 10 0 DCAERO Cc1ccc(N2CC[C@H](NC(=O)C3([NH3+])CCOCC3)C2=O)cc1 ZINC000261921191 661833747 /nfs/dbraw/zinc/83/37/47/661833747.db2.gz VAKKQCNJWDXXOJ-AWEZNQCLSA-N 1 0 317.389 0.724 10 0 DCAERO Cn1c(CCNC(=O)C2([NH3+])CCOCC2)nc2cc(F)ccc21 ZINC000261931405 661856848 /nfs/dbraw/zinc/85/68/48/661856848.db2.gz WISYNYPVZYVYJM-UHFFFAOYSA-N 1 0 320.368 0.879 10 0 DCAERO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000178941564 662051974 /nfs/dbraw/zinc/05/19/74/662051974.db2.gz OYVKYNPUSNJEOL-VIFPVBQESA-N 1 0 306.819 0.612 10 0 DCAERO CC(C)(CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)NS(C)(=O)=O ZINC000232525066 662400398 /nfs/dbraw/zinc/40/03/98/662400398.db2.gz LUSNGJABLKWOEM-JTQLQIEISA-N 1 0 305.444 0.209 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CCS(=O)(=O)C1 ZINC000721253089 662852249 /nfs/dbraw/zinc/85/22/49/662852249.db2.gz DGDSEXMAHWVNAP-BZPMIXESSA-N 1 0 302.440 0.405 10 0 DCAERO COc1cccc(CCCN2CCNC(=O)CC23C[NH2+]C3)c1 ZINC000903773483 663481729 /nfs/dbraw/zinc/48/17/29/663481729.db2.gz PQAWHTWRYSXGSN-UHFFFAOYSA-N 1 0 303.406 0.792 10 0 DCAERO CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1 ZINC000908061247 663729980 /nfs/dbraw/zinc/72/99/80/663729980.db2.gz ZOUIPJPVNJPOBT-AWEZNQCLSA-N 1 0 324.469 0.576 10 0 DCAERO CCC[C@H](C(=O)N1CCN(c2cc(F)ncn2)CC1)[NH+](C)C ZINC000908900536 663774625 /nfs/dbraw/zinc/77/46/25/663774625.db2.gz DNSWLBRXMOJXBX-GFCCVEGCSA-N 1 0 309.389 0.995 10 0 DCAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@](O)(CC(N)=O)C2)C1 ZINC000911343299 664039411 /nfs/dbraw/zinc/03/94/11/664039411.db2.gz CREGNESJFQRJDH-BBRMVZONSA-N 1 0 311.426 0.337 10 0 DCAERO Cc1nn(C)c(N2CCC2)c1NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913245679 664293616 /nfs/dbraw/zinc/29/36/16/664293616.db2.gz XDSUBRSWOAANFU-OLZOCXBDSA-N 1 0 319.409 0.740 10 0 DCAERO O=S(=O)(N[C@@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2 ZINC000222552319 664382563 /nfs/dbraw/zinc/38/25/63/664382563.db2.gz HCWMAEHVRADPRZ-CYBMUJFWSA-N 1 0 324.402 0.830 10 0 DCAERO O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000165317847 664408422 /nfs/dbraw/zinc/40/84/22/664408422.db2.gz CYSNTFVOJDZSGS-ZANVPECISA-N 1 0 312.370 0.774 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000063168121 664626406 /nfs/dbraw/zinc/62/64/06/664626406.db2.gz QEPTXPBHQQTGBQ-LBPRGKRZSA-N 1 0 300.428 0.800 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2nc(C(C)(C)C)ccc2=O)CCO1 ZINC000152975279 664785773 /nfs/dbraw/zinc/78/57/73/664785773.db2.gz HLSHYXMVHJFYOU-CYBMUJFWSA-N 1 0 308.426 0.761 10 0 DCAERO CC[S@](=O)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000741423931 664842259 /nfs/dbraw/zinc/84/22/59/664842259.db2.gz IYNPPVWQXMKUBO-NRFANRHFSA-N 1 0 319.471 0.507 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422628244 666280520 /nfs/dbraw/zinc/28/05/20/666280520.db2.gz TVDBZDPJCQXBLY-JSGCOSHPSA-N 1 0 305.403 0.824 10 0 DCAERO CC[C@H]1CN(C(=O)NCCc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000185019258 666321394 /nfs/dbraw/zinc/32/13/94/666321394.db2.gz NDDKNOWKDPSHJI-KGLIPLIRSA-N 1 0 323.441 0.449 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700886323 666778495 /nfs/dbraw/zinc/77/84/95/666778495.db2.gz HTONVNKTBLFIJL-AXFHLTTASA-N 1 0 306.453 0.163 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700958903 666781909 /nfs/dbraw/zinc/78/19/09/666781909.db2.gz VWTKQLLEDZOXFY-HBNTYKKESA-N 1 0 306.453 0.150 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000702355621 666940450 /nfs/dbraw/zinc/94/04/50/666940450.db2.gz HZDSMPKYFMKFAT-VXGBXAGGSA-N 1 0 319.327 0.485 10 0 DCAERO CC[S@](=O)CC[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000735084451 666948527 /nfs/dbraw/zinc/94/85/27/666948527.db2.gz IRAWAGLINOANBQ-SFHVURJKSA-N 1 0 304.437 0.916 10 0 DCAERO CCOC(=O)[C@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702404424 666954647 /nfs/dbraw/zinc/95/46/47/666954647.db2.gz ZHDUHVOWLHXTJL-JSGCOSHPSA-N 1 0 307.394 0.514 10 0 DCAERO CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)OC(C)(C)C ZINC000705902896 667391840 /nfs/dbraw/zinc/39/18/40/667391840.db2.gz JFHADZJLNWHIKK-UHFFFAOYSA-N 1 0 313.402 0.788 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H](O)C(F)(F)F ZINC000706003381 667395538 /nfs/dbraw/zinc/39/55/38/667395538.db2.gz NOAGXVRCXSCFBI-MVWJERBFSA-N 1 0 320.311 0.958 10 0 DCAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CCOC ZINC000707285356 667437781 /nfs/dbraw/zinc/43/77/81/667437781.db2.gz MJNLOUYSVCPXQC-CQSZACIVSA-N 1 0 308.378 0.942 10 0 DCAERO C[C@H]1CN(C(=O)c2cnn(C)c2Br)C[C@@H]1C[NH3+] ZINC000708842801 667443954 /nfs/dbraw/zinc/44/39/54/667443954.db2.gz HOJWIYNWNNPJRR-YUMQZZPRSA-N 1 0 301.188 0.849 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000717330644 667626348 /nfs/dbraw/zinc/62/63/48/667626348.db2.gz NMMLFIPXVMIICJ-JKOKRWQUSA-N 1 0 303.786 0.549 10 0 DCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000886041099 667726511 /nfs/dbraw/zinc/72/65/11/667726511.db2.gz PCJNAWCNMKBMAX-KBPBESRZSA-N 1 0 301.350 0.642 10 0 DCAERO Cc1c([C@H]2C[N@H+](CCC3(O)CCC3)C[C@@H]2C(N)=O)cnn1C ZINC000886071908 667728579 /nfs/dbraw/zinc/72/85/79/667728579.db2.gz PKSZNMVJIOMEMV-KGLIPLIRSA-N 1 0 306.410 0.534 10 0 DCAERO CCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886079026 667729507 /nfs/dbraw/zinc/72/95/07/667729507.db2.gz BNSSUVROPVXSHG-CQSZACIVSA-N 1 0 313.423 0.946 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000717363977 667732939 /nfs/dbraw/zinc/73/29/39/667732939.db2.gz GBYQUFJRLIWIMG-WCQYABFASA-N 1 0 302.415 0.965 10 0 DCAERO [NH3+][C@H]1CN(S(=O)(=O)c2cccnc2)CC[C@H]1C(F)(F)F ZINC000717079973 668408636 /nfs/dbraw/zinc/40/86/36/668408636.db2.gz JATZVIQGPUQBPW-ZJUUUORDSA-N 1 0 309.313 0.982 10 0 DCAERO [NH3+][C@H]1CN(S(=O)(=O)N2CCCCC2)CC[C@H]1C(F)(F)F ZINC000717081891 668539538 /nfs/dbraw/zinc/53/95/38/668539538.db2.gz KYQZAHJDOYZQPN-ZJUUUORDSA-N 1 0 315.361 0.929 10 0 DCAERO COCCOC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717145380 669742071 /nfs/dbraw/zinc/74/20/71/669742071.db2.gz DKSFHJYNAKAOCQ-MXWKQRLJSA-N 1 0 300.321 0.222 10 0 DCAERO [NH3+][C@@H]1CN(CC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000717149499 669743508 /nfs/dbraw/zinc/74/35/08/669743508.db2.gz KUVQEZXXHSIVLV-NKWVEPMBSA-N 1 0 307.238 0.876 10 0 DCAERO O=C(NCc1ncc(Br)s1)[C@H]1C[NH2+]CCO1 ZINC000714942093 670196879 /nfs/dbraw/zinc/19/68/79/670196879.db2.gz CBDVAVZOUZOCFD-ZCFIWIBFSA-N 1 0 306.185 0.510 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)NCc1ncc(Br)s1 ZINC000714951722 670201877 /nfs/dbraw/zinc/20/18/77/670201877.db2.gz SBQVAPAYKOMHCY-LURJTMIESA-N 1 0 308.201 0.886 10 0 DCAERO [NH3+]C1CC(CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000715097833 670203470 /nfs/dbraw/zinc/20/34/70/670203470.db2.gz TWHNYZFBLGRVAE-UHFFFAOYSA-N 1 0 320.212 0.860 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC(S(C)(=O)=O)C2)CO1 ZINC000715295556 670207627 /nfs/dbraw/zinc/20/76/27/670207627.db2.gz QPIYRCIZISDTGK-YVNMAJEFSA-N 1 0 320.411 0.703 10 0 DCAERO CN1C(=O)N(CC(=O)N2CCC[C@H]([NH3+])C2)C(=O)C12CCCCC2 ZINC000195113322 670470639 /nfs/dbraw/zinc/47/06/39/670470639.db2.gz TXRFZNMIHFPXRD-LBPRGKRZSA-N 1 0 322.409 0.533 10 0 DCAERO CC(C)(C[NH2+]C[C@@H](O)c1cc(F)ccc1F)NS(C)(=O)=O ZINC000111773050 670509515 /nfs/dbraw/zinc/50/95/15/670509515.db2.gz UYYITODMEDYXQV-GFCCVEGCSA-N 1 0 322.377 0.916 10 0 DCAERO Cc1c(C(=O)NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)nnn1C ZINC000818245683 670995681 /nfs/dbraw/zinc/99/56/81/670995681.db2.gz QZQNJHUZOJAVMN-ZDUSSCGKSA-N 1 0 316.365 0.189 10 0 DCAERO COCC[C@@H]([NH3+])C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000390134848 685259071 /nfs/dbraw/zinc/25/90/71/685259071.db2.gz 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ZINC000248429215 685175005 /nfs/dbraw/zinc/17/50/05/685175005.db2.gz SUPHVAZSORCKDD-XJKSGUPXSA-N 1 0 309.410 0.526 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000261879150 1185159124 /nfs/dbraw/zinc/15/91/24/1185159124.db2.gz TZTQRUFGAVJLLI-AWEZNQCLSA-N 1 0 323.441 0.887 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1cn2cc(Cl)ccc2n1 ZINC000262317606 1185165917 /nfs/dbraw/zinc/16/59/17/1185165917.db2.gz DQQAMGLTANJQFU-NSHDSACASA-N 1 0 308.769 0.982 10 0 DCAERO O=S(=O)(C1C[NH2+]C1)N1CCN(c2ccccc2Cl)CC1 ZINC000405100392 774150965 /nfs/dbraw/zinc/15/09/65/774150965.db2.gz MFUYAPDIRAWQRX-UHFFFAOYSA-N 1 0 315.826 0.764 10 0 DCAERO C[NH+](C)C[C@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000119303575 282140451 /nfs/dbraw/zinc/14/04/51/282140451.db2.gz LGUCMVRSMITJRM-ZDUSSCGKSA-N 1 0 324.425 0.113 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000170857200 282196826 /nfs/dbraw/zinc/19/68/26/282196826.db2.gz ACLTWCVBQDNZQD-GFCCVEGCSA-N 1 0 322.409 0.404 10 0 DCAERO 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303.410 1.000 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000105927179 194173191 /nfs/dbraw/zinc/17/31/91/194173191.db2.gz UUZODZKHCZYPOQ-QGZVFWFLSA-N 1 0 317.433 0.834 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106424536 194211578 /nfs/dbraw/zinc/21/15/78/194211578.db2.gz JJXSBDKATNZVDJ-INIZCTEOSA-N 1 0 303.406 0.850 10 0 DCAERO Cn1c(=O)n2c(c1C(=O)NC1(C[NH+](C)C)CCC1)CCCC2 ZINC000333121401 252682906 /nfs/dbraw/zinc/68/29/06/252682906.db2.gz VCFDLBRYSNVSAU-UHFFFAOYSA-N 1 0 306.410 0.737 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)n(C)n1 ZINC000333677052 252751541 /nfs/dbraw/zinc/75/15/41/252751541.db2.gz ZBZZZTKKXDQEAX-QWHCGFSZSA-N 1 0 306.414 0.358 10 0 DCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC(C)C ZINC000262264742 220466957 /nfs/dbraw/zinc/46/69/57/220466957.db2.gz MLGBBNIRVDUXSH-STQMWFEESA-N 1 0 308.378 0.793 10 0 DCAERO Cn1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](CC4CC4)C[C@@H]3C2)n1 ZINC000248157359 257108865 /nfs/dbraw/zinc/10/88/65/257108865.db2.gz WBNIPXLKBJPZSO-HIFRSBDPSA-N 1 0 304.394 0.603 10 0 DCAERO CN(C)C(=O)CN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000247990223 257111858 /nfs/dbraw/zinc/11/18/58/257111858.db2.gz LIHJCUCSUNBGPE-KGLIPLIRSA-N 1 0 302.378 0.345 10 0 DCAERO CS(=O)(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+]1CCCC1 ZINC000247560037 257119585 /nfs/dbraw/zinc/11/95/85/257119585.db2.gz YMXNHLVDMZLCFL-CHWSQXEVSA-N 1 0 315.439 0.107 10 0 DCAERO O=S(=O)(c1cn2c(n1)CCCC2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261653725 296474118 /nfs/dbraw/zinc/47/41/18/296474118.db2.gz IDNFQEYPUZQBHA-GFCCVEGCSA-N 1 0 310.423 0.734 10 0 DCAERO COc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c(O)c1 ZINC000285299060 131155407 /nfs/dbraw/zinc/15/54/07/131155407.db2.gz PLISFBSYZXFWIX-HIFRSBDPSA-N 1 0 306.362 0.946 10 0 DCAERO COc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000285608824 131186166 /nfs/dbraw/zinc/18/61/66/131186166.db2.gz CVNGLCYILPOUEP-CHWSQXEVSA-N 1 0 306.362 0.946 10 0 DCAERO 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395846519 /nfs/dbraw/zinc/84/65/19/395846519.db2.gz XLFDFBHMWVBYEM-CQSZACIVSA-N 1 0 306.362 0.876 10 0 DCAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000221210848 395850668 /nfs/dbraw/zinc/85/06/68/395850668.db2.gz KWVQXVJZBSEDPD-QNWHQSFQSA-N 1 0 305.444 0.542 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236820169 395899119 /nfs/dbraw/zinc/89/91/19/395899119.db2.gz WTGCCSMCIQTBRL-AWEZNQCLSA-N 1 0 311.451 0.898 10 0 DCAERO COCC[NH2+]CCNc1ncc(I)cn1 ZINC000126289174 395911628 /nfs/dbraw/zinc/91/16/28/395911628.db2.gz KVHNAXJWWCRXLP-UHFFFAOYSA-N 1 0 322.150 0.729 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245479192 395930792 /nfs/dbraw/zinc/93/07/92/395930792.db2.gz WDJNQSWKHHVEGB-NEPJUHHUSA-N 1 0 307.446 0.997 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCO1 ZINC000118818272 395864685 /nfs/dbraw/zinc/86/46/85/395864685.db2.gz DTXHAEOELGBKKY-LLVKDONJSA-N 1 0 324.356 0.719 10 0 DCAERO NC(=O)CC1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000052941484 395873470 /nfs/dbraw/zinc/87/34/70/395873470.db2.gz RMQCALGSLLCAGX-GJZGRUSLSA-N 1 0 323.437 0.744 10 0 DCAERO C[C@H](C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)CS(C)(=O)=O ZINC000119688382 395874228 /nfs/dbraw/zinc/87/42/28/395874228.db2.gz IEFNECABFDNVSN-RDBSUJKOSA-N 1 0 304.456 0.320 10 0 DCAERO NC(=O)c1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000053450101 395884232 /nfs/dbraw/zinc/88/42/32/395884232.db2.gz AIDQQUCOHVJUMA-UHFFFAOYSA-N 1 0 305.378 0.628 10 0 DCAERO C[NH+](C)[C@@H](CNC(=O)CN1CC(=O)NC1=O)C1CCCCC1 ZINC000134600379 395932668 /nfs/dbraw/zinc/93/26/68/395932668.db2.gz PQLBXDNUPNIUEP-LBPRGKRZSA-N 1 0 310.398 0.165 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000152010848 395998701 /nfs/dbraw/zinc/99/87/01/395998701.db2.gz DIDPZTCMUCUHBU-GRYCIOLGSA-N 1 0 304.412 0.294 10 0 DCAERO C[C@@H]1COCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000248839065 395998716 /nfs/dbraw/zinc/99/87/16/395998716.db2.gz PQEQGARKXDJWNQ-RBSFLKMASA-N 1 0 323.437 0.424 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245924037 395938155 /nfs/dbraw/zinc/93/81/55/395938155.db2.gz PETGWNKSFYYBGX-XQQFMLRXSA-N 1 0 317.455 0.209 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000245922664 395938373 /nfs/dbraw/zinc/93/83/73/395938373.db2.gz GXNBROHSZDGRFX-DGCLKSJQSA-N 1 0 308.382 0.334 10 0 DCAERO C[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1n1ccnc1 ZINC000246084638 395940841 /nfs/dbraw/zinc/94/08/41/395940841.db2.gz IDNPBPOEBOLGDW-GXTWGEPZSA-N 1 0 317.393 0.364 10 0 DCAERO CC1(C)NC(=O)N(CCCN2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000246249975 395945258 /nfs/dbraw/zinc/94/52/58/395945258.db2.gz WLAJSABKJOQAGL-ZDUSSCGKSA-N 1 0 308.426 0.877 10 0 DCAERO CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1CCCCO1 ZINC000246370480 395948065 /nfs/dbraw/zinc/94/80/65/395948065.db2.gz RFUCAVJTIWNXAL-ZIAGYGMSSA-N 1 0 313.442 0.860 10 0 DCAERO 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/nfs/dbraw/zinc/96/66/57/395966657.db2.gz IOFNCHHBTWEIHF-JHJVBQTASA-N 1 0 315.439 0.106 10 0 DCAERO COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000247138655 395968201 /nfs/dbraw/zinc/96/82/01/395968201.db2.gz JPYOGXVBLCPVTG-NVXWUHKLSA-N 1 0 324.421 0.354 10 0 DCAERO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247598528 395976581 /nfs/dbraw/zinc/97/65/81/395976581.db2.gz SYLUAKRZUFEOAW-ZIAGYGMSSA-N 1 0 311.426 0.208 10 0 DCAERO CC[C@H]1CN(C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1CCOC ZINC000247598809 395976769 /nfs/dbraw/zinc/97/67/69/395976769.db2.gz TWPQZGTUAQHFGA-LSDHHAIUSA-N 1 0 313.442 0.012 10 0 DCAERO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248514128 395988708 /nfs/dbraw/zinc/98/87/08/395988708.db2.gz DSBVIVLRDDCNNY-LSDHHAIUSA-N 1 0 319.405 0.122 10 0 DCAERO CC1(C)[C@H](NS(=O)(=O)CC[NH+]2CCCC2)[C@@H]2CCO[C@H]21 ZINC000248658836 395993193 /nfs/dbraw/zinc/99/31/93/395993193.db2.gz BVMWHUHKXIKMIK-YNEHKIRRSA-N 1 0 302.440 0.815 10 0 DCAERO CCC[C@@H](C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[NH+](C)C ZINC000154127867 396032174 /nfs/dbraw/zinc/03/21/74/396032174.db2.gz XKZFMNQGQLADBI-NEPJUHHUSA-N 1 0 309.414 0.586 10 0 DCAERO COCCOc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261855688 396072588 /nfs/dbraw/zinc/07/25/88/396072588.db2.gz MURZUCHIPQCLHU-UHFFFAOYSA-N 1 0 308.378 0.836 10 0 DCAERO COCC1(CNS(=O)(=O)N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000261643042 396051725 /nfs/dbraw/zinc/05/17/25/396051725.db2.gz IVATWKNZAONAPW-CYBMUJFWSA-N 1 0 319.471 0.569 10 0 DCAERO CNC(=O)Cc1noc(CN(CC[NH3+])CCc2ccccc2)n1 ZINC000261651691 396052455 /nfs/dbraw/zinc/05/24/55/396052455.db2.gz ABJUWYHRGVSGMR-UHFFFAOYSA-N 1 0 317.393 0.362 10 0 DCAERO Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)NC1CCCCC1 ZINC000261651522 396052567 /nfs/dbraw/zinc/05/25/67/396052567.db2.gz AAJLOQBQURISNX-AWEZNQCLSA-N 1 0 305.426 0.815 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000261731756 396060962 /nfs/dbraw/zinc/06/09/62/396060962.db2.gz RHYOQGXXJPFONS-UHFFFAOYSA-N 1 0 311.407 0.466 10 0 DCAERO COc1ccc(-c2noc(CCNC(=O)[C@@H]3CCC[NH2+]3)n2)cn1 ZINC000261792897 396066373 /nfs/dbraw/zinc/06/63/73/396066373.db2.gz RAPMWWWFCUHOGK-NSHDSACASA-N 1 0 317.349 0.551 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000249134380 396003837 /nfs/dbraw/zinc/00/38/37/396003837.db2.gz DKYGUFYJQHRMJL-RYUDHWBXSA-N 1 0 305.382 0.444 10 0 DCAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000249349377 396006130 /nfs/dbraw/zinc/00/61/30/396006130.db2.gz PHGBXUDWVZJXGU-AZHAFVHUSA-N 1 0 310.369 0.819 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCn2cnnc2C1 ZINC000152404238 396008242 /nfs/dbraw/zinc/00/82/42/396008242.db2.gz WOVDGQMJSFUTKX-CYBMUJFWSA-N 1 0 306.414 0.924 10 0 DCAERO [NH3+]C1(C(=O)NCc2ccnc(N3CCCC3)c2)CCOCC1 ZINC000261825845 396070556 /nfs/dbraw/zinc/07/05/56/396070556.db2.gz KPRIPEMYNFYZOL-UHFFFAOYSA-N 1 0 304.394 0.806 10 0 DCAERO Cc1nnnn1-c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261825314 396070562 /nfs/dbraw/zinc/07/05/62/396070562.db2.gz AYXXZTVBHHAJHX-UHFFFAOYSA-N 1 0 302.338 0.417 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1Cl ZINC000249710511 396011939 /nfs/dbraw/zinc/01/19/39/396011939.db2.gz UZLDBWUCPBOBLM-JTQLQIEISA-N 1 0 318.830 0.932 10 0 DCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000066664894 396012968 /nfs/dbraw/zinc/01/29/68/396012968.db2.gz OEBHFKQGBKVVKJ-NWDGAFQWSA-N 1 0 308.444 0.176 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000251560594 396016276 /nfs/dbraw/zinc/01/62/76/396016276.db2.gz GNJLALPAJNRIKL-BXUZGUMPSA-N 1 0 308.426 0.635 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[NH3+])c(OC)c1 ZINC000261981660 396086611 /nfs/dbraw/zinc/08/66/11/396086611.db2.gz CRLCSDZQDDSHSJ-MRVPVSSYSA-N 1 0 304.368 0.338 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)NCC(C)(C)[NH3+])c(OC)c1 ZINC000262024601 396091507 /nfs/dbraw/zinc/09/15/07/396091507.db2.gz IZWCMUHGVGMNRO-UHFFFAOYSA-N 1 0 318.395 0.728 10 0 DCAERO [NH3+]C1(C(=O)NCCc2ccc3c(c2)OCCO3)CCOCC1 ZINC000262037910 396092106 /nfs/dbraw/zinc/09/21/06/396092106.db2.gz BMSLNLARRSQZBX-UHFFFAOYSA-N 1 0 306.362 0.624 10 0 DCAERO O=C(c1ccco1)N1CCC2(C[C@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787693 396092559 /nfs/dbraw/zinc/09/25/59/396092559.db2.gz ZCORHNHVZQRDHI-LBPRGKRZSA-N 1 0 303.362 0.706 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cnc4n3CCC4)C[C@@H]21 ZINC000262101687 396098888 /nfs/dbraw/zinc/09/88/88/396098888.db2.gz SXHCSPUAOXKYLS-GRYCIOLGSA-N 1 0 310.423 0.577 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262126646 396101911 /nfs/dbraw/zinc/10/19/11/396101911.db2.gz WJWKTDJPOPXOET-SECBINFHSA-N 1 0 304.803 0.589 10 0 DCAERO O=C(NCc1cc(Br)cs1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000070600040 396102961 /nfs/dbraw/zinc/10/29/61/396102961.db2.gz NCKBYMXHHZZADG-APPZFPTMSA-N 1 0 305.197 0.850 10 0 DCAERO O=C(CN1CC[NH2+]C[C@@H]1c1cccnc1)NCC(F)(F)F ZINC000262171575 396106512 /nfs/dbraw/zinc/10/65/12/396106512.db2.gz HTYMYPVBUUGYRK-LLVKDONJSA-N 1 0 302.300 0.706 10 0 DCAERO C[NH2+]CCN(C)S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000262274592 396117212 /nfs/dbraw/zinc/11/72/12/396117212.db2.gz KXYDTSYJMJACJA-UHFFFAOYSA-N 1 0 318.395 0.552 10 0 DCAERO O[C@H](Cn1cccn1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000171628113 396120540 /nfs/dbraw/zinc/12/05/40/396120540.db2.gz JSSMOBGHGITJSW-AWEZNQCLSA-N 1 0 302.382 0.246 10 0 DCAERO C[C@@H](C[NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000262309177 396121504 /nfs/dbraw/zinc/12/15/04/396121504.db2.gz CRAHIDSZWDEAAT-JTQLQIEISA-N 1 0 301.341 0.517 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000262320321 396123967 /nfs/dbraw/zinc/12/39/67/396123967.db2.gz QGOFCFBHSOBUPP-OAHLLOKOSA-N 1 0 319.405 0.690 10 0 DCAERO COc1ccccc1N1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262330389 396125334 /nfs/dbraw/zinc/12/53/34/396125334.db2.gz GOWPLPOOVBZVAH-KGLIPLIRSA-N 1 0 319.405 0.769 10 0 DCAERO CC(C)(C)OC(=O)N1CCN(Cc2nnc(CCC[NH3+])[nH]2)CC1 ZINC000072236593 396127394 /nfs/dbraw/zinc/12/73/94/396127394.db2.gz UOOUKEMMUXBMQF-UHFFFAOYSA-N 1 0 324.429 0.749 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCCc1csc(N2CCCC2)n1 ZINC000262349147 396128762 /nfs/dbraw/zinc/12/87/62/396128762.db2.gz IUEUJGQIWLBXGV-CYBMUJFWSA-N 1 0 324.450 0.781 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000262353364 396129393 /nfs/dbraw/zinc/12/93/93/396129393.db2.gz USSLJACEOCGIGG-CYBMUJFWSA-N 1 0 308.378 0.605 10 0 DCAERO CCc1cnc(N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)s1 ZINC000261871186 396074262 /nfs/dbraw/zinc/07/42/62/396074262.db2.gz OBYHYRCBAURPCE-UHFFFAOYSA-N 1 0 324.450 0.862 10 0 DCAERO CCNC(=O)c1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261894519 396076417 /nfs/dbraw/zinc/07/64/17/396076417.db2.gz QYMVEZLKTHHXCW-UHFFFAOYSA-N 1 0 305.378 0.560 10 0 DCAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cn1 ZINC000261890225 396076762 /nfs/dbraw/zinc/07/67/62/396076762.db2.gz GJBLTOCRKZXFSU-GUTXKFCHSA-N 1 0 304.394 0.427 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000261929758 396080240 /nfs/dbraw/zinc/08/02/40/396080240.db2.gz JMQAIRQFZTUHDJ-UHFFFAOYSA-N 1 0 320.393 0.605 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2CCOCC2)C1 ZINC000162262817 396080348 /nfs/dbraw/zinc/08/03/48/396080348.db2.gz AKVQMRMGEGONIM-CABCVRRESA-N 1 0 312.458 0.737 10 0 DCAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261947303 396082410 /nfs/dbraw/zinc/08/24/10/396082410.db2.gz YMWNMDUPTVFLEI-AWEZNQCLSA-N 1 0 313.442 0.454 10 0 DCAERO COc1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263203119 396206067 /nfs/dbraw/zinc/20/60/67/396206067.db2.gz JHRMQAAWWVKJSB-CMPLNLGQSA-N 1 0 302.321 0.967 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000263234907 396207291 /nfs/dbraw/zinc/20/72/91/396207291.db2.gz JCCJNVBSAZGWEJ-AWEZNQCLSA-N 1 0 307.398 0.215 10 0 DCAERO NC(=O)C1CCN(c2ncccc2CNC2=[NH+]CCCN2)CC1 ZINC000263236062 396208390 /nfs/dbraw/zinc/20/83/90/396208390.db2.gz JPZNRDUUPMDLNA-UHFFFAOYSA-N 1 0 316.409 0.222 10 0 DCAERO NC(=O)[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000263248807 396209020 /nfs/dbraw/zinc/20/90/20/396209020.db2.gz DMSHQRGNBNVRLK-JTQLQIEISA-N 1 0 312.167 0.311 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC[NH2+]1 ZINC000262474866 396144235 /nfs/dbraw/zinc/14/42/35/396144235.db2.gz XEVJKBRCPYCBNB-ZDEQEGDKSA-N 1 0 317.455 0.209 10 0 DCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1OC(F)F ZINC000263249396 396209596 /nfs/dbraw/zinc/20/95/96/396209596.db2.gz PRDJELBDVRIBMK-GHMZBOCLSA-N 1 0 302.321 0.967 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)o1 ZINC000175978992 396147904 /nfs/dbraw/zinc/14/79/04/396147904.db2.gz XTBMEEGVMDVCHL-JTQLQIEISA-N 1 0 315.395 0.272 10 0 DCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Oc2cnccn2)cc1 ZINC000263300670 396212931 /nfs/dbraw/zinc/21/29/31/396212931.db2.gz WZQSMMOKMIRCFQ-UKRRQHHQSA-N 1 0 300.362 0.939 10 0 DCAERO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262547615 396153983 /nfs/dbraw/zinc/15/39/83/396153983.db2.gz SLHGAEXBLOOUSL-SRVKXCTJSA-N 1 0 319.188 0.866 10 0 DCAERO CCNC(=O)CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000262558313 396154465 /nfs/dbraw/zinc/15/44/65/396154465.db2.gz USFFDAGUOQJUAZ-CQSZACIVSA-N 1 0 310.442 0.045 10 0 DCAERO COc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262559866 396155378 /nfs/dbraw/zinc/15/53/78/396155378.db2.gz VBMJACMFUCDVQG-UHFFFAOYSA-N 1 0 321.377 0.208 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Nc1cccc2cccnc21 ZINC000262565468 396155961 /nfs/dbraw/zinc/15/59/61/396155961.db2.gz XTCBQXIVFYJRJS-YPMHNXCESA-N 1 0 314.345 0.012 10 0 DCAERO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262645790 396167884 /nfs/dbraw/zinc/16/78/84/396167884.db2.gz NWIQQVHPGRHBFM-ILXRZTDVSA-N 1 0 322.453 0.269 10 0 DCAERO CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660031 396169406 /nfs/dbraw/zinc/16/94/06/396169406.db2.gz FXLSSNVRSQZLLN-CABCVRRESA-N 1 0 324.469 0.517 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262692740 396173419 /nfs/dbraw/zinc/17/34/19/396173419.db2.gz AHPWXVIOKUHDKP-FZMZJTMJSA-N 1 0 314.389 0.733 10 0 DCAERO CS[C@H](CO)[C@H](C)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262716022 396174978 /nfs/dbraw/zinc/17/49/78/396174978.db2.gz GTJCGZVXCFEEOA-DMDPSCGWSA-N 1 0 312.439 0.650 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262744164 396177845 /nfs/dbraw/zinc/17/78/45/396177845.db2.gz CZXVKQUFFQGSDE-CMPLNLGQSA-N 1 0 312.391 0.750 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262755906 396179527 /nfs/dbraw/zinc/17/95/27/396179527.db2.gz HUOUVABCIKVTKH-MFKMUULPSA-N 1 0 312.391 0.750 10 0 DCAERO COC(=O)CCN(C)S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000262825597 396185623 /nfs/dbraw/zinc/18/56/23/396185623.db2.gz HHRCURMVIVOAHE-AAEUAGOBSA-N 1 0 321.443 0.223 10 0 DCAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)CN1CCOCC1 ZINC000263291925 396212036 /nfs/dbraw/zinc/21/20/36/396212036.db2.gz WOYNQYBXPYUFAT-FPCVCCKLSA-N 1 0 309.454 0.992 10 0 DCAERO CC[C@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000178622297 396200839 /nfs/dbraw/zinc/20/08/39/396200839.db2.gz ZZUHZKARKJSZFF-QWHCGFSZSA-N 1 0 321.425 0.680 10 0 DCAERO CC[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000178622273 396201081 /nfs/dbraw/zinc/20/10/81/396201081.db2.gz ZZUHZKARKJSZFF-CHWSQXEVSA-N 1 0 321.425 0.680 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000181504266 396239842 /nfs/dbraw/zinc/23/98/42/396239842.db2.gz UJESRFJMYDEGGJ-QWHCGFSZSA-N 1 0 308.426 0.781 10 0 DCAERO C[C@@H]1C[C@@H](N(C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946600 396243981 /nfs/dbraw/zinc/24/39/81/396243981.db2.gz VQPQXRXSRYEQSI-OLZOCXBDSA-N 1 0 313.442 0.859 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000263316756 396213813 /nfs/dbraw/zinc/21/38/13/396213813.db2.gz ZOXSQDNFHWFNIB-NSHDSACASA-N 1 0 318.381 0.828 10 0 DCAERO CCc1occc1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000280671450 396214322 /nfs/dbraw/zinc/21/43/22/396214322.db2.gz GFVSMKXHJCTWIU-NSHDSACASA-N 1 0 309.366 0.100 10 0 DCAERO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)CCCO2 ZINC000077377265 396220179 /nfs/dbraw/zinc/22/01/79/396220179.db2.gz KYVILGPRUJESCK-KBPBESRZSA-N 1 0 317.389 0.690 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(CC3(C)COC3)nn2)CC[N@@H+]1C ZINC000184944686 396311767 /nfs/dbraw/zinc/31/17/67/396311767.db2.gz JXOKHCUQZCFBSV-OLZOCXBDSA-N 1 0 321.425 0.869 10 0 DCAERO C[C@H]1CCCN1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000185008505 396313814 /nfs/dbraw/zinc/31/38/14/396313814.db2.gz QUNBBHOEGVECDA-STQMWFEESA-N 1 0 305.444 0.152 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cncnc1N(C)C ZINC000184432541 396295164 /nfs/dbraw/zinc/29/51/64/396295164.db2.gz OGDSYQCPFOPGPC-NSHDSACASA-N 1 0 322.413 0.328 10 0 DCAERO CC[NH+]1CCN(c2cccc(NC(=O)CNC(N)=O)c2)CC1 ZINC000185291324 396324800 /nfs/dbraw/zinc/32/48/00/396324800.db2.gz XKLIIFPTRFKDQK-UHFFFAOYSA-N 1 0 305.382 0.435 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1(CO)CC1 ZINC000186805603 396358464 /nfs/dbraw/zinc/35/84/64/396358464.db2.gz FLGNWDXJKPNYFK-LBPRGKRZSA-N 1 0 318.373 0.348 10 0 DCAERO COCC1=CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000187691897 396372852 /nfs/dbraw/zinc/37/28/52/396372852.db2.gz RFCUZAJZKUSTDE-CQSZACIVSA-N 1 0 302.440 0.937 10 0 DCAERO O=C(NCCCc1nnc2n1CCCCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188751809 396385572 /nfs/dbraw/zinc/38/55/72/396385572.db2.gz JKUHOPQCHSKKLB-NWDGAFQWSA-N 1 0 309.389 0.753 10 0 DCAERO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188987279 396389082 /nfs/dbraw/zinc/38/90/82/396389082.db2.gz HEMSQUZJNJPAOM-VHRBIJSZSA-N 1 0 318.352 0.601 10 0 DCAERO NC(=O)NC(=O)CCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189669214 396397244 /nfs/dbraw/zinc/39/72/44/396397244.db2.gz VIFNKRDNELBHOY-UHFFFAOYSA-N 1 0 320.397 0.384 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000189767514 396399033 /nfs/dbraw/zinc/39/90/33/396399033.db2.gz QPXGROJAPAVHGG-MJBXVCDLSA-N 1 0 314.451 0.959 10 0 DCAERO CCc1onc(C)c1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189792450 396399506 /nfs/dbraw/zinc/39/95/06/396399506.db2.gz VWUGZKGLWKULEV-UHFFFAOYSA-N 1 0 306.366 0.791 10 0 DCAERO CC(=O)NC1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000190151636 396402597 /nfs/dbraw/zinc/40/25/97/396402597.db2.gz LRJQEAWDIDSFLS-CYBMUJFWSA-N 1 0 324.425 0.017 10 0 DCAERO COCCN(C)c1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000190960497 396413147 /nfs/dbraw/zinc/41/31/47/396413147.db2.gz GAEUNZDOEIEASQ-HNNXBMFYSA-N 1 0 308.426 0.584 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191035243 396414337 /nfs/dbraw/zinc/41/43/37/396414337.db2.gz WKJLPOLMHRVKMV-KBPBESRZSA-N 1 0 304.456 0.941 10 0 DCAERO CCNC(=O)C[N@H+](CC)CC1(O)CCC(C(=O)OCC)CC1 ZINC000191442730 396419311 /nfs/dbraw/zinc/41/93/11/396419311.db2.gz NFXZAGHORNNBPA-UHFFFAOYSA-N 1 0 314.426 0.929 10 0 DCAERO CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000192830949 396438759 /nfs/dbraw/zinc/43/87/59/396438759.db2.gz GXQWNHWKJCWVLS-CQSZACIVSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1C(N)=O ZINC000286138320 396376751 /nfs/dbraw/zinc/37/67/51/396376751.db2.gz KOMGDXDBGBKIDY-ZYHUDNBSSA-N 1 0 307.419 0.686 10 0 DCAERO CN(CC1([NH+](C)C)CCC1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000188045451 396378537 /nfs/dbraw/zinc/37/85/37/396378537.db2.gz ONEYCZGXNDAAMZ-UHFFFAOYSA-N 1 0 310.398 0.260 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000527502403 396536008 /nfs/dbraw/zinc/53/60/08/396536008.db2.gz QGWMNXGOORNPCJ-UONOGXRCSA-N 1 0 300.447 0.737 10 0 DCAERO Cn1cnc(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000527515518 396536479 /nfs/dbraw/zinc/53/64/79/396536479.db2.gz AVQPOXURYCYZAK-UHFFFAOYSA-N 1 0 306.414 0.674 10 0 DCAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn2cccnc2n1 ZINC000530999807 396586899 /nfs/dbraw/zinc/58/68/99/396586899.db2.gz LROAHLQKVGGKLN-GFCCVEGCSA-N 1 0 305.382 0.816 10 0 DCAERO CCn1ccnc(N2CCN(C)[C@@H](c3nccn3C)C2)c1=O ZINC000373684973 396606958 /nfs/dbraw/zinc/60/69/58/396606958.db2.gz WIGVMDZOABJFNR-GFCCVEGCSA-N 1 0 302.382 0.490 10 0 DCAERO CSC1(CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000589087705 396703432 /nfs/dbraw/zinc/70/34/32/396703432.db2.gz FLAQWXIHUPYXRK-RYUDHWBXSA-N 1 0 311.451 0.693 10 0 DCAERO CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000312267529 396764031 /nfs/dbraw/zinc/76/40/31/396764031.db2.gz LYZUNOHFPZSNFP-MGPQQGTHSA-N 1 0 304.456 0.893 10 0 DCAERO CC(=O)c1ncc(C(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000617762518 396818083 /nfs/dbraw/zinc/81/80/83/396818083.db2.gz QYGLZKDDVYWNFE-UHFFFAOYSA-N 1 0 312.439 0.959 10 0 DCAERO CC(=O)N1CC[C@](C)(C(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000617766009 396822699 /nfs/dbraw/zinc/82/26/99/396822699.db2.gz ZBFRPPUBROUAGJ-INIZCTEOSA-N 1 0 312.458 0.245 10 0 DCAERO NC(=O)C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000590840682 396848954 /nfs/dbraw/zinc/84/89/54/396848954.db2.gz YOLBYCLVIMQZOV-ZIAGYGMSSA-N 1 0 300.399 0.273 10 0 DCAERO NC(=O)C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000590840681 396849143 /nfs/dbraw/zinc/84/91/43/396849143.db2.gz YOLBYCLVIMQZOV-UONOGXRCSA-N 1 0 300.399 0.273 10 0 DCAERO Cc1ccncc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000376569592 396948007 /nfs/dbraw/zinc/94/80/07/396948007.db2.gz HCPCCAZITVCYGN-QGZVFWFLSA-N 1 0 304.438 0.886 10 0 DCAERO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000571824780 396991433 /nfs/dbraw/zinc/99/14/33/396991433.db2.gz UGYWDNNKQMNNHX-KHMAMNHCSA-N 1 0 312.410 0.129 10 0 DCAERO O=C([C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)N1CCCC1 ZINC000601072405 397001229 /nfs/dbraw/zinc/00/12/29/397001229.db2.gz QSUNJRFSFWIGGD-GJZGRUSLSA-N 1 0 323.437 0.304 10 0 DCAERO C[NH2+]CCOCCN(C)c1ncc(Br)c(OC)n1 ZINC000630529298 397038203 /nfs/dbraw/zinc/03/82/03/397038203.db2.gz UUCRUGHMPGNKDY-UHFFFAOYSA-N 1 0 319.203 0.920 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOCC1CCC1 ZINC000572810521 397097060 /nfs/dbraw/zinc/09/70/60/397097060.db2.gz GEZOUGGSQOYZMU-CQSZACIVSA-N 1 0 312.458 0.738 10 0 DCAERO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)C[C@H]1C[NH3+] ZINC000630553142 397044672 /nfs/dbraw/zinc/04/46/72/397044672.db2.gz IKBKIUGERGRMFS-HTQZYQBOSA-N 1 0 301.188 0.574 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631041422 397159624 /nfs/dbraw/zinc/15/96/24/397159624.db2.gz JIZGOXKBMXTGEV-UHFFFAOYSA-N 1 0 319.453 0.937 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NCCOC[C@@H]1CCOC1 ZINC000598312848 397213495 /nfs/dbraw/zinc/21/34/95/397213495.db2.gz PRNTWUBXQSOZGM-CYBMUJFWSA-N 1 0 308.382 0.268 10 0 DCAERO O[C@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000408230708 397350525 /nfs/dbraw/zinc/35/05/25/397350525.db2.gz CSUSAYOPYCASSE-LLVKDONJSA-N 1 0 312.332 0.069 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000408382037 397355506 /nfs/dbraw/zinc/35/55/06/397355506.db2.gz PBMQYPAXBRXBLA-DJLDLDEBSA-N 1 0 304.334 0.360 10 0 DCAERO C[NH+](C)CCOCCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000471635604 397448642 /nfs/dbraw/zinc/44/86/42/397448642.db2.gz OMORHRVVJDGVCM-OAHLLOKOSA-N 1 0 309.410 0.640 10 0 DCAERO Cc1nc2c(nccc2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000366683260 397389331 /nfs/dbraw/zinc/38/93/31/397389331.db2.gz RPYHRCFWMBKYCT-VXGBXAGGSA-N 1 0 315.377 0.859 10 0 DCAERO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@H]1[NH3+] ZINC000578653263 397467066 /nfs/dbraw/zinc/46/70/66/397467066.db2.gz WDAHTUMCUSIBLY-VHSXEESVSA-N 1 0 317.436 0.222 10 0 DCAERO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[N@H+](CC)C1CC1 ZINC000488305949 397489399 /nfs/dbraw/zinc/48/93/99/397489399.db2.gz FZWCGTBCFJGQQV-QWRGUYRKSA-N 1 0 313.398 0.043 10 0 DCAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000370431594 397485599 /nfs/dbraw/zinc/48/55/99/397485599.db2.gz WRDRJYSMIUHKDB-NWDGAFQWSA-N 1 0 307.398 0.972 10 0 DCAERO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000371342433 397573894 /nfs/dbraw/zinc/57/38/94/397573894.db2.gz AIVVIQVMIGESOH-ZIAGYGMSSA-N 1 0 323.437 0.567 10 0 DCAERO COC(=O)C1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000610478255 397825061 /nfs/dbraw/zinc/82/50/61/397825061.db2.gz VHHAORPWSRMQHW-UHFFFAOYSA-N 1 0 323.397 0.862 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)[N@H+](C)C1 ZINC000329025912 286082463 /nfs/dbraw/zinc/08/24/63/286082463.db2.gz NXLZSNMDHKGVFG-RDBSUJKOSA-N 1 0 307.398 0.236 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C12CCOCC2 ZINC000186497723 286281891 /nfs/dbraw/zinc/28/18/91/286281891.db2.gz WAYUOYKOXSYLFJ-ZIAGYGMSSA-N 1 0 322.409 0.703 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC)C12CCOCC2 ZINC000186314479 286282181 /nfs/dbraw/zinc/28/21/81/286282181.db2.gz CICRPBPELXIGIL-CHWSQXEVSA-N 1 0 305.440 0.985 10 0 DCAERO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000072683139 158052369 /nfs/dbraw/zinc/05/23/69/158052369.db2.gz MUHKRNPOODPTEK-LBPRGKRZSA-N 1 0 317.455 0.689 10 0 DCAERO CCN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010005 158054233 /nfs/dbraw/zinc/05/42/33/158054233.db2.gz VWYWSFIOCFMXDK-IRXDYDNUSA-N 1 0 319.449 0.996 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)C[NH+]1CCCC1 ZINC000079987662 158079481 /nfs/dbraw/zinc/07/94/81/158079481.db2.gz GIZHEGYLGZFLLA-HUUCEWRRSA-N 1 0 312.458 0.738 10 0 DCAERO CCOCCNC(=O)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000084694408 158089086 /nfs/dbraw/zinc/08/90/86/158089086.db2.gz NKEFOGYSUDSUFL-AWEZNQCLSA-N 1 0 313.442 0.324 10 0 DCAERO Cn1nccc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093142866 158118114 /nfs/dbraw/zinc/11/81/14/158118114.db2.gz OBNIYBNJUMEBPT-UHFFFAOYSA-N 1 0 319.453 0.796 10 0 DCAERO CCN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000096666074 158123810 /nfs/dbraw/zinc/12/38/10/158123810.db2.gz DFOXJJOXYWOQPU-UHFFFAOYSA-N 1 0 317.437 0.611 10 0 DCAERO CCNC(=O)CC[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000111241658 158139994 /nfs/dbraw/zinc/13/99/94/158139994.db2.gz PZCGGOMJYUCAKJ-UHFFFAOYSA-N 1 0 324.469 0.389 10 0 DCAERO CCOC(=O)CCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267466 158146721 /nfs/dbraw/zinc/14/67/21/158146721.db2.gz NQKLZFVJSHOGMD-KBPBESRZSA-N 1 0 311.426 0.614 10 0 DCAERO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N1CCOCC1 ZINC000113590982 158148473 /nfs/dbraw/zinc/14/84/73/158148473.db2.gz RXIXQGLBOJUZAF-RBSFLKMASA-N 1 0 310.442 0.585 10 0 DCAERO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000116887606 158167527 /nfs/dbraw/zinc/16/75/27/158167527.db2.gz NUOIPYARWOCTQT-LBPRGKRZSA-N 1 0 303.428 0.013 10 0 DCAERO Cc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116978216 158168926 /nfs/dbraw/zinc/16/89/26/158168926.db2.gz DPTDBMBCZKDENJ-AWEZNQCLSA-N 1 0 319.405 0.514 10 0 DCAERO Cc1ccccc1CNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123157201 158227244 /nfs/dbraw/zinc/22/72/44/158227244.db2.gz JVBPRFWSTPBBOB-IPYPFGDCSA-N 1 0 319.405 0.574 10 0 DCAERO CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000131206004 158301022 /nfs/dbraw/zinc/30/10/22/158301022.db2.gz WZTGVBSYUBYBNO-FPMFFAJLSA-N 1 0 316.467 0.858 10 0 DCAERO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131214980 158301154 /nfs/dbraw/zinc/30/11/54/158301154.db2.gz VHSVYOVYTRFCIH-LBPRGKRZSA-N 1 0 308.382 0.015 10 0 DCAERO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000166514322 158366079 /nfs/dbraw/zinc/36/60/79/158366079.db2.gz WMFKAKYCCGYLHL-CQSZACIVSA-N 1 0 320.393 0.504 10 0 DCAERO C[C@@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000170756794 158376080 /nfs/dbraw/zinc/37/60/80/158376080.db2.gz CUZWQDRQFSKGDB-CHWSQXEVSA-N 1 0 306.410 0.873 10 0 DCAERO CC[N@H+](CCNC(=O)N1CCN(c2cccnn2)CC1)C1CC1 ZINC000171250156 158380868 /nfs/dbraw/zinc/38/08/68/158380868.db2.gz WINWJCHUBQPSSW-UHFFFAOYSA-N 1 0 318.425 0.793 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000171240878 158381353 /nfs/dbraw/zinc/38/13/53/158381353.db2.gz RGZSVXHGJZSMEK-CYBMUJFWSA-N 1 0 305.382 0.804 10 0 DCAERO CC(C)COC[C@@H](O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000171624845 158384232 /nfs/dbraw/zinc/38/42/32/158384232.db2.gz UXYDJIYRVZSHJK-KRWDZBQOSA-N 1 0 324.469 0.961 10 0 DCAERO O=C(CNC(=O)NC1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586740 158384854 /nfs/dbraw/zinc/38/48/54/158384854.db2.gz CKGBNBPAUFOPQL-AWEZNQCLSA-N 1 0 308.426 0.925 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000172038253 158390112 /nfs/dbraw/zinc/39/01/12/158390112.db2.gz FPRRFAHMTDMAHJ-QWHCGFSZSA-N 1 0 318.425 0.645 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000172259788 158393439 /nfs/dbraw/zinc/39/34/39/158393439.db2.gz JVMBEQMNOSUQIG-LSDHHAIUSA-N 1 0 324.469 0.975 10 0 DCAERO C[NH+](C)CC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172623368 158396259 /nfs/dbraw/zinc/39/62/59/158396259.db2.gz DGCPEUKRCFQDHB-UHFFFAOYSA-N 1 0 307.398 0.543 10 0 DCAERO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188854446 158547965 /nfs/dbraw/zinc/54/79/65/158547965.db2.gz 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/nfs/dbraw/zinc/80/14/07/158801407.db2.gz UARXNLCJOISVCO-TVQRCGJNSA-N 1 0 321.768 0.231 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc2c(cc1F)NC(=O)CC2 ZINC000262378034 158806445 /nfs/dbraw/zinc/80/64/45/158806445.db2.gz MNXDSOHXRVZKLO-ZANVPECISA-N 1 0 307.325 0.021 10 0 DCAERO C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000262407582 158810549 /nfs/dbraw/zinc/81/05/49/158810549.db2.gz RXCZNEOEOFIACR-SRVKXCTJSA-N 1 0 302.440 0.799 10 0 DCAERO COCC[NH2+]CCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000262635750 158831202 /nfs/dbraw/zinc/83/12/02/158831202.db2.gz GUOFCULAMJRUIC-UHFFFAOYSA-N 1 0 319.365 0.416 10 0 DCAERO O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)C1C[NH2+]C1 ZINC000263289520 158869592 /nfs/dbraw/zinc/86/95/92/158869592.db2.gz LFZFWEFWMKHNAE-UHFFFAOYSA-N 1 0 318.373 0.799 10 0 DCAERO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000318764176 159006175 /nfs/dbraw/zinc/00/61/75/159006175.db2.gz LOHPRODKBKDVJV-XHSDSOJGSA-N 1 0 309.454 0.776 10 0 DCAERO 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OOJOTZFLTAJZNY-CYBMUJFWSA-N 1 0 307.398 0.629 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000170831412 416033432 /nfs/dbraw/zinc/03/34/32/416033432.db2.gz CGXBHVSWVACVHP-KBPBESRZSA-N 1 0 318.425 0.791 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)nn(C)c1C ZINC000174824002 416087781 /nfs/dbraw/zinc/08/77/81/416087781.db2.gz JRQSXFCZQKNHLI-CQSZACIVSA-N 1 0 323.441 0.947 10 0 DCAERO COCCCS(=O)(=O)NCC[NH+]1CCC([C@H](C)O)CC1 ZINC000175222632 416101455 /nfs/dbraw/zinc/10/14/55/416101455.db2.gz PEIWITJCRLAHTD-LBPRGKRZSA-N 1 0 308.444 0.035 10 0 DCAERO CCOCCNC(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000175962998 416117575 /nfs/dbraw/zinc/11/75/75/416117575.db2.gz RHKMSEMCQLEEAK-UHFFFAOYSA-N 1 0 308.426 0.827 10 0 DCAERO Cc1nn(C)cc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000175988708 416118470 /nfs/dbraw/zinc/11/84/70/416118470.db2.gz NKMDUMCRAVDJDK-OAHLLOKOSA-N 1 0 319.453 0.971 10 0 DCAERO Cn1ccc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328648928 416125698 /nfs/dbraw/zinc/12/56/98/416125698.db2.gz UUPAASLNBHBWKM-ZDUSSCGKSA-N 1 0 307.398 0.995 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000177009493 416137642 /nfs/dbraw/zinc/13/76/42/416137642.db2.gz CAZJKEPBSOCTHJ-KGLIPLIRSA-N 1 0 311.426 0.424 10 0 DCAERO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000177059596 416140698 /nfs/dbraw/zinc/14/06/98/416140698.db2.gz UOAYNPPTDVOIKD-JTQLQIEISA-N 1 0 322.331 0.545 10 0 DCAERO Cc1ccn(-c2ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)nn2)n1 ZINC000328992893 416143841 /nfs/dbraw/zinc/14/38/41/416143841.db2.gz SVULCLLKKMEDHL-KBPBESRZSA-N 1 0 314.393 0.880 10 0 DCAERO CCc1nsc(N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000178814926 416173386 /nfs/dbraw/zinc/17/33/86/416173386.db2.gz GWBUHMUUPCRWNZ-MNOVXSKESA-N 1 0 309.439 0.877 10 0 DCAERO CN(C)C(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179085229 416182274 /nfs/dbraw/zinc/18/22/74/416182274.db2.gz QELLFAWRDZCHHW-HIFRSBDPSA-N 1 0 304.394 0.819 10 0 DCAERO CC[C@@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181525439 416208428 /nfs/dbraw/zinc/20/84/28/416208428.db2.gz RXYAZLHFOFTEHL-FEWQNLEASA-N 1 0 313.442 0.777 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181917033 416211251 /nfs/dbraw/zinc/21/12/51/416211251.db2.gz CWDYTXIKFPMMLT-UHFFFAOYSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@H](CCNC(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCCCC1 ZINC000181713450 416211879 /nfs/dbraw/zinc/21/18/79/416211879.db2.gz YEVKJUBBRTXNQT-CABCVRRESA-N 1 0 312.458 0.881 10 0 DCAERO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000182045709 416212949 /nfs/dbraw/zinc/21/29/49/416212949.db2.gz BVCVCCICEBSRIW-DZGCQCFKSA-N 1 0 318.421 0.653 10 0 DCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000182360823 416219304 /nfs/dbraw/zinc/21/93/04/416219304.db2.gz FLUXGSHIGVHDFY-RISCZKNCSA-N 1 0 309.414 0.786 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000183471307 416241240 /nfs/dbraw/zinc/24/12/40/416241240.db2.gz WMCNPNRWFFZWBT-UHFFFAOYSA-N 1 0 306.410 0.988 10 0 DCAERO COCC[NH+]1CCC(NC(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183458179 416242018 /nfs/dbraw/zinc/24/20/18/416242018.db2.gz KXBRQGNIYQQDRE-UHFFFAOYSA-N 1 0 310.350 0.907 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1=O ZINC000186490929 416257162 /nfs/dbraw/zinc/25/71/62/416257162.db2.gz WRNIXCHBPGXBEM-JTQLQIEISA-N 1 0 308.382 0.060 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(N)=O)C[C@@H](c2ccccc2)O1 ZINC000193218628 416313858 /nfs/dbraw/zinc/31/38/58/416313858.db2.gz HFRWDBMDIDGMRK-BNOWGMLFSA-N 1 0 305.378 0.568 10 0 DCAERO COCC[NH2+]CCNS(=O)(=O)Cc1cccc(OC)c1 ZINC000193362820 416316189 /nfs/dbraw/zinc/31/61/89/416316189.db2.gz NAAYXPAAQRWNBA-UHFFFAOYSA-N 1 0 302.396 0.351 10 0 DCAERO O=C(CCCCN1CCOCC1)NCCNc1cc[nH+]cc1 ZINC000359259464 416318271 /nfs/dbraw/zinc/31/82/71/416318271.db2.gz BQESSKSLBNSKSS-UHFFFAOYSA-N 1 0 306.410 0.534 10 0 DCAERO CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000247380442 416332927 /nfs/dbraw/zinc/33/29/27/416332927.db2.gz PTBORQITVFRBOQ-TUAOUCFPSA-N 1 0 305.444 0.447 10 0 DCAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252646380 416334649 /nfs/dbraw/zinc/33/46/49/416334649.db2.gz GKAPNZIOYZZYFA-CHWSQXEVSA-N 1 0 317.455 0.211 10 0 DCAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000261836244 416335835 /nfs/dbraw/zinc/33/58/35/416335835.db2.gz KKPWRCNLNLUXHY-GJZGRUSLSA-N 1 0 323.437 0.474 10 0 DCAERO CO[C@H](C)c1noc(CN(C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262275479 416336627 /nfs/dbraw/zinc/33/66/27/416336627.db2.gz YTVRBLFGSSHNKH-LLVKDONJSA-N 1 0 311.386 0.031 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000359584307 416352137 /nfs/dbraw/zinc/35/21/37/416352137.db2.gz ACZAMOWXHHSVDF-AWEZNQCLSA-N 1 0 311.426 0.328 10 0 DCAERO Cn1cc(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000195179460 416325526 /nfs/dbraw/zinc/32/55/26/416325526.db2.gz MONKCRADLDVXRA-OAHLLOKOSA-N 1 0 314.389 0.892 10 0 DCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000237889195 416328960 /nfs/dbraw/zinc/32/89/60/416328960.db2.gz TXUVDIYPNCVTSB-GJZGRUSLSA-N 1 0 322.453 0.271 10 0 DCAERO COC(=O)[C@H](O)C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245949680 416331490 /nfs/dbraw/zinc/33/14/90/416331490.db2.gz WPLWGYJFNZQHTK-ARFHVFGLSA-N 1 0 305.374 0.891 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000359882346 416363844 /nfs/dbraw/zinc/36/38/44/416363844.db2.gz VOHKGOATAJQNTN-UHFFFAOYSA-N 1 0 315.421 0.742 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH]n1 ZINC000458545107 416478763 /nfs/dbraw/zinc/47/87/63/416478763.db2.gz FTPBDNQIHFQQME-FPMFFAJLSA-N 1 0 323.441 0.746 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423668796 416537437 /nfs/dbraw/zinc/53/74/37/416537437.db2.gz LICQOHGVANHHCC-IJLUTSLNSA-N 1 0 303.428 0.139 10 0 DCAERO C[C@H](CNC(=O)c1cccc2ncnn21)C[NH+]1CCN(C)CC1 ZINC000542940908 416635740 /nfs/dbraw/zinc/63/57/40/416635740.db2.gz QYJYZMKZAOYTJU-CYBMUJFWSA-N 1 0 316.409 0.343 10 0 DCAERO Cc1cc(CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)on1 ZINC000557925331 416757496 /nfs/dbraw/zinc/75/74/96/416757496.db2.gz IELDTQNJPTXEHI-ZDUSSCGKSA-N 1 0 309.414 0.461 10 0 DCAERO C(c1nnnn1CC1CCOCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890378 416779182 /nfs/dbraw/zinc/77/91/82/416779182.db2.gz PDPWJUYTJBWZET-GJZGRUSLSA-N 1 0 320.441 0.674 10 0 DCAERO NS(=O)(=O)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000443853312 416786446 /nfs/dbraw/zinc/78/64/46/416786446.db2.gz MKSKXUCSCAWJCS-UHFFFAOYSA-N 1 0 321.406 0.520 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1C[C@H](C)O ZINC000369736838 416824828 /nfs/dbraw/zinc/82/48/28/416824828.db2.gz DTVJTELKICCTEE-ZENOOKHLSA-N 1 0 311.426 0.206 10 0 DCAERO CN(CC(N)=O)C[C@@H]1CN(Cc2nc3ccccc3o2)CCO1 ZINC000370022982 416868541 /nfs/dbraw/zinc/86/85/41/416868541.db2.gz VACYGFPHWFUWIB-GFCCVEGCSA-N 1 0 318.377 0.446 10 0 DCAERO Cc1nn(C)c(C[NH2+]C[C@@H]2COCCN2C)c1Br ZINC000623712769 416873125 /nfs/dbraw/zinc/87/31/25/416873125.db2.gz KYFJWKRNVNFGRZ-SNVBAGLBSA-N 1 0 317.231 0.911 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000631960172 416832726 /nfs/dbraw/zinc/83/27/26/416832726.db2.gz JUQPFGOEONOXJZ-LBPRGKRZSA-N 1 0 300.428 0.929 10 0 DCAERO COCCCS(=O)(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000631959380 416833579 /nfs/dbraw/zinc/83/35/79/416833579.db2.gz SCJLJFCNVXEVGU-UHFFFAOYSA-N 1 0 300.380 0.710 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000521596664 417020078 /nfs/dbraw/zinc/02/00/78/417020078.db2.gz SYXRDYTUJOXXNH-WQGXVZNYSA-N 1 0 323.437 0.802 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000624395103 417027635 /nfs/dbraw/zinc/02/76/35/417027635.db2.gz GAUSBWBYOHTYMD-UHFFFAOYSA-N 1 0 306.359 0.349 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000520811825 416976267 /nfs/dbraw/zinc/97/62/67/416976267.db2.gz WBIIWUNCLYOGJS-MNOVXSKESA-N 1 0 320.393 0.850 10 0 DCAERO CC[C@H]1CN(c2nc(C)c(S(N)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000388723409 417097759 /nfs/dbraw/zinc/09/77/59/417097759.db2.gz WSMRVSXSGYVKBA-DTWKUNHWSA-N 1 0 304.441 0.663 10 0 DCAERO COc1nc(NC[C@@H]2C[NH2+]CCCO2)ncc1Br ZINC000389835769 417098566 /nfs/dbraw/zinc/09/85/66/417098566.db2.gz XBMZPAFAVDLKIU-QMMMGPOBSA-N 1 0 317.187 1.038 10 0 DCAERO C[C@H](COCc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000390574418 417101548 /nfs/dbraw/zinc/10/15/48/417101548.db2.gz CJESZPJJWWOVDI-WBVHZDCISA-N 1 0 308.422 0.874 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616636752 417087659 /nfs/dbraw/zinc/08/76/59/417087659.db2.gz OBKICXNBDYZTJY-CYBMUJFWSA-N 1 0 307.398 0.948 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1c[nH]nc1N ZINC000616635542 417088325 /nfs/dbraw/zinc/08/83/25/417088325.db2.gz CAMGKLIJZZBPJX-LLVKDONJSA-N 1 0 310.402 0.463 10 0 DCAERO CCO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000405252335 417124860 /nfs/dbraw/zinc/12/48/60/417124860.db2.gz LLPFPLZSKUUGTF-HZPDHXFCSA-N 1 0 305.422 0.941 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000408046664 417137194 /nfs/dbraw/zinc/13/71/94/417137194.db2.gz CQVLVPOSABFAQC-IHRRRGAJSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CC[N@@H+]1C ZINC000408064173 417138256 /nfs/dbraw/zinc/13/82/56/417138256.db2.gz TXZBFEJYJHFGFR-DZKIICNBSA-N 1 0 321.425 0.362 10 0 DCAERO Cc1cc(NC(=O)C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000408122402 417143084 /nfs/dbraw/zinc/14/30/84/417143084.db2.gz JVAYKYPEHHJJOX-CYBMUJFWSA-N 1 0 320.393 1.254 10 0 DCAERO CC(C)(C)[C@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453360 417162912 /nfs/dbraw/zinc/16/29/12/417162912.db2.gz UCIIAZAPMMEKPD-CHWSQXEVSA-N 1 0 311.426 0.457 10 0 DCAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000408270964 417152063 /nfs/dbraw/zinc/15/20/63/417152063.db2.gz TWQLURYFLGMKAO-ZDUSSCGKSA-N 1 0 317.455 0.386 10 0 DCAERO O=C(C1CCC1)N1CCN(CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC000437803141 287365015 /nfs/dbraw/zinc/36/50/15/287365015.db2.gz UAONCKKIFISAHU-HNNXBMFYSA-N 1 0 309.454 0.947 10 0 DCAERO CC1(C)CC[C@H](CO)[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000621380859 417284692 /nfs/dbraw/zinc/28/46/92/417284692.db2.gz GJQRAUJAZPUKKN-CHWSQXEVSA-N 1 0 304.456 0.751 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000632877349 417286734 /nfs/dbraw/zinc/28/67/34/417286734.db2.gz GNMHILHBCXOVMA-CVEARBPZSA-N 1 0 323.437 0.711 10 0 DCAERO CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000527536622 417248744 /nfs/dbraw/zinc/24/87/44/417248744.db2.gz RQNNINPUEZJBNF-INIZCTEOSA-N 1 0 301.390 0.984 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCCC2)CC12COC2 ZINC000451130307 417302391 /nfs/dbraw/zinc/30/23/91/417302391.db2.gz DSTXMLAWMHFPAJ-ZDUSSCGKSA-N 1 0 310.394 0.510 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COC(C)C)CC12COC2 ZINC000451135443 417306756 /nfs/dbraw/zinc/30/67/56/417306756.db2.gz 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O=C(NCCc1cccnc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192803527 261139119 /nfs/dbraw/zinc/13/91/19/261139119.db2.gz PENDTRPFQWKSOA-OAHLLOKOSA-N 1 0 306.410 0.770 10 0 DCAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000227720850 261153223 /nfs/dbraw/zinc/15/32/23/261153223.db2.gz QJWUEBIENXCJGF-OCCSQVGLSA-N 1 0 308.403 0.506 10 0 DCAERO COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362957407 262090104 /nfs/dbraw/zinc/09/01/04/262090104.db2.gz ITALHRGVBFURQQ-CYBMUJFWSA-N 1 0 308.382 0.342 10 0 DCAERO COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000446785354 271768697 /nfs/dbraw/zinc/76/86/97/271768697.db2.gz PJNPPLZWQYJGOX-QWHCGFSZSA-N 1 0 301.383 0.428 10 0 DCAERO Cc1ncc(C[NH2+]C[C@@H](O)Cn2ccnn2)n1-c1ccccc1 ZINC000459687798 272003573 /nfs/dbraw/zinc/00/35/73/272003573.db2.gz BOUQHYNZKPEWJG-MRXNPFEDSA-N 1 0 312.377 0.923 10 0 DCAERO CCOc1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1OC ZINC000459690408 272004122 /nfs/dbraw/zinc/00/41/22/272004122.db2.gz 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ZINC000538918023 287887436 /nfs/dbraw/zinc/88/74/36/287887436.db2.gz PUMFEFDVKVLTIY-HOCLYGCPSA-N 1 0 320.393 0.553 10 0 DCAERO CCN1CCCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1=O ZINC000248726234 276366823 /nfs/dbraw/zinc/36/68/23/276366823.db2.gz USPHFJGFMDCKBM-ZIAGYGMSSA-N 1 0 310.442 0.979 10 0 DCAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C ZINC000186720225 276491121 /nfs/dbraw/zinc/49/11/21/276491121.db2.gz VTOSHPWZWFBKGK-ZBEGNZNMSA-N 1 0 313.442 0.892 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000297207882 277046977 /nfs/dbraw/zinc/04/69/77/277046977.db2.gz RUOZNCDORJUWAV-AWEZNQCLSA-N 1 0 315.425 0.731 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261803281 277056730 /nfs/dbraw/zinc/05/67/30/277056730.db2.gz OGWPVAUJERDXOB-UONOGXRCSA-N 1 0 310.442 0.173 10 0 DCAERO CC(C)(C)n1nc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1C1CC1 ZINC000262098033 277286317 /nfs/dbraw/zinc/28/63/17/277286317.db2.gz DNDWOATTZABHFY-BXUZGUMPSA-N 1 0 306.410 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/nfs/dbraw/zinc/15/07/64/278150764.db2.gz ZFSKUTBDIZJZIU-OASPWFOLSA-N 1 0 309.439 0.414 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000408390183 278204022 /nfs/dbraw/zinc/20/40/22/278204022.db2.gz RSDWJVOPSFXSLX-WDEREUQCSA-N 1 0 305.382 0.592 10 0 DCAERO C[C@H](CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[NH+](C)CC1 ZINC000333227893 278208508 /nfs/dbraw/zinc/20/85/08/278208508.db2.gz XSJUCBVISNSPAS-KBXIAJHMSA-N 1 0 315.483 0.730 10 0 DCAERO C[C@@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C)C(=O)N(C)C ZINC000368832494 278321484 /nfs/dbraw/zinc/32/14/84/278321484.db2.gz FGHLWZFSBDHORM-OLZOCXBDSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)S1(=O)=O ZINC000333712259 278655428 /nfs/dbraw/zinc/65/54/28/278655428.db2.gz SMTUGSVYPGBSBK-GRYCIOLGSA-N 1 0 303.428 0.346 10 0 DCAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc2ncnn21 ZINC000548378497 288137518 /nfs/dbraw/zinc/13/75/18/288137518.db2.gz XBDPVLNSXYSODR-GFCCVEGCSA-N 1 0 317.393 0.647 10 0 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523389873 /nfs/dbraw/zinc/38/98/73/523389873.db2.gz NICCVXPQONODQO-UHFFFAOYSA-N 1 0 318.381 0.596 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)CCc2ncc(C)s2)nn1 ZINC000157457566 523390545 /nfs/dbraw/zinc/39/05/45/523390545.db2.gz MEZDZKLOSNWWJK-UHFFFAOYSA-N 1 0 323.422 0.933 10 0 DCAERO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000246180858 523649347 /nfs/dbraw/zinc/64/93/47/523649347.db2.gz CDGMBQRDWNZQCC-BHVCSQLQSA-N 1 0 316.467 0.951 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000153597649 523793826 /nfs/dbraw/zinc/79/38/26/523793826.db2.gz XKMKSPBWURSXNN-OAHLLOKOSA-N 1 0 318.421 0.617 10 0 DCAERO C[C@@H](CNC(=O)CNC(=O)c1cccnc1)C[NH+]1CCCC1 ZINC000155380929 524653459 /nfs/dbraw/zinc/65/34/59/524653459.db2.gz OESKJUYFURHGEI-ZDUSSCGKSA-N 1 0 304.394 0.660 10 0 DCAERO C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1N1CCOCC1 ZINC000246302434 524795014 /nfs/dbraw/zinc/79/50/14/524795014.db2.gz QDDACOSFMHXEFL-HZSPNIEDSA-N 1 0 313.467 0.261 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C[N@@H+]1C1CC1 ZINC000188890759 524795539 /nfs/dbraw/zinc/79/55/39/524795539.db2.gz QPHLMAAEIIBMAF-WCQYABFASA-N 1 0 320.437 0.922 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190099273 524861653 /nfs/dbraw/zinc/86/16/53/524861653.db2.gz XYIGEVSGANRBDB-NWDGAFQWSA-N 1 0 318.377 0.724 10 0 DCAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc2c(c1)CC(=O)N2C ZINC000261662767 525146736 /nfs/dbraw/zinc/14/67/36/525146736.db2.gz FTIXWLNEAABFRI-ZBINZKHDSA-N 1 0 317.389 0.889 10 0 DCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189432880 525358413 /nfs/dbraw/zinc/35/84/13/525358413.db2.gz QCUGQFZCCYHQLX-GFCCVEGCSA-N 1 0 309.366 0.236 10 0 DCAERO O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262332264 526340902 /nfs/dbraw/zinc/34/09/02/526340902.db2.gz FBDQDLORYDWALB-WPRPVWTQSA-N 1 0 319.192 0.639 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000331024824 526575821 /nfs/dbraw/zinc/57/58/21/526575821.db2.gz ADJADYLVNCVHLI-UKRRQHHQSA-N 1 0 310.442 0.140 10 0 DCAERO O=C(CN1CCOCC1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366152734 526791352 /nfs/dbraw/zinc/79/13/52/526791352.db2.gz SSBCASOQBUFQSR-AWEZNQCLSA-N 1 0 309.410 0.180 10 0 DCAERO CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000163937718 528198578 /nfs/dbraw/zinc/19/85/78/528198578.db2.gz YFGHMCKNBLQRPP-DGCLKSJQSA-N 1 0 312.414 0.145 10 0 DCAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000174936256 528986522 /nfs/dbraw/zinc/98/65/22/528986522.db2.gz VSHYFNYCOBUKEI-ZDUSSCGKSA-N 1 0 317.455 0.257 10 0 DCAERO CC[NH+]1CCC(N[C@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000328626908 528988623 /nfs/dbraw/zinc/98/86/23/528988623.db2.gz FPHZUFOXFGPWJH-HNNXBMFYSA-N 1 0 319.453 0.823 10 0 DCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(CC(=O)OC)CC2)C1 ZINC000176676434 529090128 /nfs/dbraw/zinc/09/01/28/529090128.db2.gz QCMAVSNSDXGHIB-LBPRGKRZSA-N 1 0 318.439 0.733 10 0 DCAERO CCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000122014974 535354342 /nfs/dbraw/zinc/35/43/42/535354342.db2.gz NZFCTPNEUZLDGM-GFCCVEGCSA-N 1 0 317.455 0.689 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C(N)=O)c3)[C@H]2C1 ZINC000285652262 536468959 /nfs/dbraw/zinc/46/89/59/536468959.db2.gz GADYRFDFINRCRI-KBPBESRZSA-N 1 0 303.362 0.331 10 0 DCAERO COC(=O)[C@](C)(N)Cn1cc(I)cn1 ZINC000070678548 545661567 /nfs/dbraw/zinc/66/15/67/545661567.db2.gz GVLXMPQFXPMNJJ-MRVPVSSYSA-N 1 0 309.107 0.378 10 0 DCAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1S(N)(=O)=O ZINC000089459433 545714932 /nfs/dbraw/zinc/71/49/32/545714932.db2.gz VMIQDVAATMRLJD-PWSUYJOCSA-N 1 0 311.407 0.956 10 0 DCAERO C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000179300902 545897995 /nfs/dbraw/zinc/89/79/95/545897995.db2.gz DYEFKCTURFVQPJ-KBPBESRZSA-N 1 0 312.458 0.831 10 0 DCAERO NC(=O)C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C1CCCCC1 ZINC000182062237 545904329 /nfs/dbraw/zinc/90/43/29/545904329.db2.gz IFVAADLOQLPZII-KGLIPLIRSA-N 1 0 311.426 0.384 10 0 DCAERO O=C(NCCCn1ccnn1)N1CC[NH+](C2CCCC2)CC1 ZINC000182480933 545905385 /nfs/dbraw/zinc/90/53/85/545905385.db2.gz AUDGNAAJHJFFCT-UHFFFAOYSA-N 1 0 306.414 0.938 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000183665134 545908073 /nfs/dbraw/zinc/90/80/73/545908073.db2.gz QGIKWHQANUMLOJ-VXGBXAGGSA-N 1 0 305.444 0.018 10 0 DCAERO CNC(=O)[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)C(C)C ZINC000183679017 545908702 /nfs/dbraw/zinc/90/87/02/545908702.db2.gz COOYPQZGZVXAIE-CYBMUJFWSA-N 1 0 313.423 0.325 10 0 DCAERO COC[C@@H]([NH2+]CCC(=O)N1CCOCC1)C1CCOCC1 ZINC000187859999 545915569 /nfs/dbraw/zinc/91/55/69/545915569.db2.gz WUZOBBKSMXHTAF-CQSZACIVSA-N 1 0 300.399 0.267 10 0 DCAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187993136 545917187 /nfs/dbraw/zinc/91/71/87/545917187.db2.gz GTUGJVKKGYAHIS-DAKYAEBGSA-N 1 0 310.419 0.932 10 0 DCAERO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190500963 545923609 /nfs/dbraw/zinc/92/36/09/545923609.db2.gz FBBDSKHZFHJGQF-UONOGXRCSA-N 1 0 304.456 0.941 10 0 DCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000195174213 545933986 /nfs/dbraw/zinc/93/39/86/545933986.db2.gz QZPJZTDEILLHQT-QWHCGFSZSA-N 1 0 308.444 0.178 10 0 DCAERO Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)n1 ZINC000261791135 545976811 /nfs/dbraw/zinc/97/68/11/545976811.db2.gz QEVQWDHDGRVSLQ-IACUBPJLSA-N 1 0 321.425 0.958 10 0 DCAERO O=C(COc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000261897579 545977563 /nfs/dbraw/zinc/97/75/63/545977563.db2.gz ACTAHFDEOYUXEH-BXKDBHETSA-N 1 0 318.295 0.781 10 0 DCAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262074143 545978780 /nfs/dbraw/zinc/97/87/80/545978780.db2.gz BXFYQGIOGNYUAJ-ZJUUUORDSA-N 1 0 308.382 0.098 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccc1 ZINC000262248653 545981660 /nfs/dbraw/zinc/98/16/60/545981660.db2.gz LJVFZUUEHOMVOO-WFASDCNBSA-N 1 0 300.362 0.491 10 0 DCAERO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262277526 545982994 /nfs/dbraw/zinc/98/29/94/545982994.db2.gz NMVMOWJOZVMWFL-WCBMZHEXSA-N 1 0 303.284 0.719 10 0 DCAERO O=C(CCc1ccc2c(c1)OCCO2)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262312138 545983047 /nfs/dbraw/zinc/98/30/47/545983047.db2.gz QMMKWUQXDGWHBR-QWHCGFSZSA-N 1 0 306.362 0.087 10 0 DCAERO O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262413303 545985520 /nfs/dbraw/zinc/98/55/20/545985520.db2.gz ZKAMKTSZKIWBPJ-UKRRQHHQSA-N 1 0 317.389 0.274 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cn2ccnc2)cc1 ZINC000262379692 545985683 /nfs/dbraw/zinc/98/56/83/545985683.db2.gz WWXPWUDKFIEXFL-HUUCEWRRSA-N 1 0 300.362 0.242 10 0 DCAERO COCC1(CNC(=O)N2CCNC[C@](C)(F)C2)CC[NH2+]CC1 ZINC000333634326 546087901 /nfs/dbraw/zinc/08/79/01/546087901.db2.gz HDKUBSYKUIUXQC-AWEZNQCLSA-N 1 0 316.421 0.346 10 0 DCAERO Cc1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1C ZINC000888095010 661164101 /nfs/dbraw/zinc/16/41/01/661164101.db2.gz PAECTDCBLPGDMQ-KCYZZUKISA-N 1 0 320.437 0.938 10 0 DCAERO [NH3+]CC1(C(=O)Nc2ccc(N3CCOCC3)cn2)CCOCC1 ZINC000262331929 657549637 /nfs/dbraw/zinc/54/96/37/657549637.db2.gz SHJGLHOEYHIRFX-UHFFFAOYSA-N 1 0 320.393 0.612 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@H]1C ZINC000892357116 657730241 /nfs/dbraw/zinc/73/02/41/657730241.db2.gz XUKIIIAFIPGWSM-ZIAGYGMSSA-N 1 0 316.409 0.613 10 0 DCAERO C[C@](O)(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000724057033 657928941 /nfs/dbraw/zinc/92/89/41/657928941.db2.gz GWVHNQGLRWOIQO-CIUDSAMLSA-N 1 0 307.259 0.610 10 0 DCAERO C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)S(C)(=O)=O ZINC000724097243 657959775 /nfs/dbraw/zinc/95/97/75/657959775.db2.gz UXRLPEVQKOKQGV-NKWVEPMBSA-N 1 0 313.288 0.958 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000261668473 658281437 /nfs/dbraw/zinc/28/14/37/658281437.db2.gz GOESFBVXQRICCC-DGCLKSJQSA-N 1 0 307.419 0.926 10 0 DCAERO COC(=O)c1cn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000157924076 658885103 /nfs/dbraw/zinc/88/51/03/658885103.db2.gz FMUUDCQSFAYPHW-DOMZBBRYSA-N 1 0 319.409 0.971 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000311126038 659115862 /nfs/dbraw/zinc/11/58/62/659115862.db2.gz PSPXBVSCCJYIMY-QMMMGPOBSA-N 1 0 316.203 0.792 10 0 DCAERO C[C@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000195297095 659542114 /nfs/dbraw/zinc/54/21/14/659542114.db2.gz AQAPXZIUCWVCBA-QMMMGPOBSA-N 1 0 319.814 0.667 10 0 DCAERO O=S(=O)(c1cn2c(n1)CCCC2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000261653728 661349944 /nfs/dbraw/zinc/34/99/44/661349944.db2.gz IDNFQEYPUZQBHA-LBPRGKRZSA-N 1 0 310.423 0.734 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)O1 ZINC000248865450 661534433 /nfs/dbraw/zinc/53/44/33/661534433.db2.gz AWYYEEJYHJKSAN-SYQHCUMBSA-N 1 0 310.394 0.650 10 0 DCAERO COc1cccc(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261770308 661639904 /nfs/dbraw/zinc/63/99/04/661639904.db2.gz 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CO[C@]1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCS(=O)(=O)C1 ZINC000721254185 662906599 /nfs/dbraw/zinc/90/65/99/662906599.db2.gz HHRQVPYDZMQJLL-OPDFLTKYSA-N 1 0 303.424 0.593 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc(=O)n(C)c2)C1 ZINC000130444025 663058684 /nfs/dbraw/zinc/05/86/84/663058684.db2.gz WQCLJEOURLLUGE-AWEZNQCLSA-N 1 0 308.378 0.899 10 0 DCAERO CO[C@]1(C[NH2+]C2CCN(C(C)C)CC2)CCS(=O)(=O)C1 ZINC000721255670 663077616 /nfs/dbraw/zinc/07/76/16/663077616.db2.gz OFLRXJLEMTXWSC-AWEZNQCLSA-N 1 0 304.456 0.653 10 0 DCAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000900603251 663260153 /nfs/dbraw/zinc/26/01/53/663260153.db2.gz MUINZCSAQIIFEE-IJEWVQPXSA-N 1 0 306.410 0.810 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)N(C(C)=O)C1 ZINC000913278184 664296840 /nfs/dbraw/zinc/29/68/40/664296840.db2.gz BXFSNPWRPPZNEL-XOSAIJSUSA-N 1 0 323.437 0.422 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(N)nc3)CC[C@@H]21 ZINC000166804750 664471259 /nfs/dbraw/zinc/47/12/59/664471259.db2.gz UYVIVBJXTINHQV-JQWIXIFHSA-N 1 0 311.411 0.164 10 0 DCAERO CCCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000227807788 664539145 /nfs/dbraw/zinc/53/91/45/664539145.db2.gz WLCXSVMWZZMYBK-JHJVBQTASA-N 1 0 302.440 0.930 10 0 DCAERO COCC(=O)NC[C@H]1CCN(Cc2ccoc2)C[C@H]1[NH+](C)C ZINC000169788901 664561416 /nfs/dbraw/zinc/56/14/16/664561416.db2.gz ORDYECKTPKLFHJ-HUUCEWRRSA-N 1 0 309.410 0.794 10 0 DCAERO C[C@H]1CN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CCO1 ZINC000171605108 664610622 /nfs/dbraw/zinc/61/06/22/664610622.db2.gz FFLWTWBFTIDIGT-AWEZNQCLSA-N 1 0 306.410 0.842 10 0 DCAERO CN1C(=O)OC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000062637494 664622090 /nfs/dbraw/zinc/62/20/90/664622090.db2.gz XJSMVJJFOUQRIW-CQSZACIVSA-N 1 0 318.377 0.828 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CN2CCOC2=S)CC1 ZINC000152585030 664765483 /nfs/dbraw/zinc/76/54/83/664765483.db2.gz JBQHLQYKQAHIEY-CQSZACIVSA-N 1 0 312.483 0.663 10 0 DCAERO CC(=O)OC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000153190392 664799015 /nfs/dbraw/zinc/79/90/15/664799015.db2.gz DWXDLVZGMHAKMU-CYBMUJFWSA-N 1 0 318.439 0.686 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000702390667 666947928 /nfs/dbraw/zinc/94/79/28/666947928.db2.gz JOMDCIADSNDRBW-HOTGVXAUSA-N 1 0 305.422 0.941 10 0 DCAERO COC(=O)N(C)CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702426489 666955735 /nfs/dbraw/zinc/95/57/35/666955735.db2.gz CFSZUWIYROONPJ-CQSZACIVSA-N 1 0 322.409 0.260 10 0 DCAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000704634379 667241879 /nfs/dbraw/zinc/24/18/79/667241879.db2.gz FAJPIGLWJLSCIW-GARJFASQSA-N 1 0 306.453 0.163 10 0 DCAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000705070261 667275361 /nfs/dbraw/zinc/27/53/61/667275361.db2.gz GCHVXCGUQOJLDS-XUJVJEKNSA-N 1 0 302.415 0.965 10 0 DCAERO CN(C)C(=O)OCCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000705440421 667324773 /nfs/dbraw/zinc/32/47/73/667324773.db2.gz UGJVKNGFODAJPX-CQSZACIVSA-N 1 0 322.409 0.260 10 0 DCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)nn1C ZINC000709259563 667445040 /nfs/dbraw/zinc/44/50/40/667445040.db2.gz LYIUSEXCROYJRB-CBAPKCEASA-N 1 0 301.188 0.939 10 0 DCAERO CCN(CC)S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709801306 667445724 /nfs/dbraw/zinc/44/57/24/667445724.db2.gz BZARJPJEJORDBS-RKDXNWHRSA-N 1 0 303.350 0.642 10 0 DCAERO CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1c1cn(C)nn1 ZINC000886071923 667728778 /nfs/dbraw/zinc/72/87/78/667728778.db2.gz HOKOUMZPBJAPQX-DZGCQCFKSA-N 1 0 304.398 0.743 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)CCNS(C)(=O)=O)C1 ZINC000886082577 667730051 /nfs/dbraw/zinc/73/00/51/667730051.db2.gz QQTKOHAQYYSKEN-MCIONIFRSA-N 1 0 319.471 0.109 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)CCNS(C)(=O)=O)C1 ZINC000886082578 667730100 /nfs/dbraw/zinc/73/01/00/667730100.db2.gz QQTKOHAQYYSKEN-MJBXVCDLSA-N 1 0 319.471 0.109 10 0 DCAERO CN(Cc1ccccc1F)C(=O)[C@@]1(N2CC[NH2+]CC2)CCOC1 ZINC000886085109 667730344 /nfs/dbraw/zinc/73/03/44/667730344.db2.gz ASVNUBYXADXSDX-QGZVFWFLSA-N 1 0 321.396 0.848 10 0 DCAERO Cc1[nH+]ccc(N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1Cl ZINC000886095434 667731735 /nfs/dbraw/zinc/73/17/35/667731735.db2.gz WFHPFRSZICLRNF-HNNXBMFYSA-N 1 0 324.812 0.810 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN(CN2CCOC2=S)CC1 ZINC000103461742 667748456 /nfs/dbraw/zinc/74/84/56/667748456.db2.gz GWXDQDPMFAXIBD-UHFFFAOYSA-N 1 0 314.455 0.047 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000219024733 667754157 /nfs/dbraw/zinc/75/41/57/667754157.db2.gz AQDQIKAMLZJASG-UHIISALHSA-N 1 0 318.439 0.070 10 0 DCAERO COc1cc(OC)cc([C@@H](O)CNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000128144789 669147461 /nfs/dbraw/zinc/14/74/61/669147461.db2.gz SPDNAJBDFCVQLZ-ABAIWWIYSA-N 1 0 308.378 0.853 10 0 DCAERO O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040832824 669821714 /nfs/dbraw/zinc/82/17/14/669821714.db2.gz GFHPVPMPMCKFEX-PWSUYJOCSA-N 1 0 300.305 0.670 10 0 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DCAERO O=S(=O)(CCCC1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000714984318 670199912 /nfs/dbraw/zinc/19/99/12/670199912.db2.gz CKJVGAWQCJQANB-CQSZACIVSA-N 1 0 301.456 0.486 10 0 DCAERO CCn1cnc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000717037003 670957953 /nfs/dbraw/zinc/95/79/53/670957953.db2.gz LODVXAJDXDRZNW-VIFPVBQESA-N 1 0 308.354 0.426 10 0 DCAERO COC[C@H](C)OC[C@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720850159 685316437 /nfs/dbraw/zinc/31/64/37/685316437.db2.gz ZRMBLZMJHVEHPF-LNFKQOIKSA-N 1 0 300.321 0.220 10 0 DCAERO COCCCS(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720167827 685312529 /nfs/dbraw/zinc/31/25/29/685312529.db2.gz RIGGEKZZCSKLPA-LBPRGKRZSA-N 1 0 306.428 0.101 10 0 DCAERO Cn1cc(C[NH2+][C@@H]2CCCNC(=O)C2)c(Br)n1 ZINC000720674817 685314666 /nfs/dbraw/zinc/31/46/66/685314666.db2.gz PSSKVSOCAMKTPE-SECBINFHSA-N 1 0 301.188 0.941 10 0 DCAERO CO[C@@]1(C[NH2+][C@H]2CCOC3(CCC3)C2)CCS(=O)(=O)C1 ZINC000720930199 685317210 /nfs/dbraw/zinc/31/72/10/685317210.db2.gz GCVAYUJNUJGSPH-GXTWGEPZSA-N 1 0 303.424 0.881 10 0 DCAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000249088245 685177845 /nfs/dbraw/zinc/17/78/45/685177845.db2.gz UFOYUJXVJGCWHP-BTTYYORXSA-N 1 0 312.410 0.586 10 0 DCAERO C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251739099 685185576 /nfs/dbraw/zinc/18/55/76/685185576.db2.gz KTAFKISHSBFVTH-HZSPNIEDSA-N 1 0 301.456 0.627 10 0 DCAERO C[C@@H]1C[N@@H+]([C@H]2CCCC[C@@H]2O)CCN1c1nccn2cnnc12 ZINC000270557773 685191896 /nfs/dbraw/zinc/19/18/96/685191896.db2.gz WIMKVYPXWPVPPF-RDBSUJKOSA-N 1 0 316.409 0.938 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000075802382 1173936640 /nfs/dbraw/zinc/93/66/40/1173936640.db2.gz MXPQCLJFJIIIKO-UHFFFAOYSA-N 1 0 304.394 0.039 10 0 DCAERO O=S1(=O)CCCN1CCNCc1nc2c(s1)CCC2 ZINC000093067211 1175633624 /nfs/dbraw/zinc/63/36/24/1175633624.db2.gz SQNPSJOVHDEHBR-UHFFFAOYSA-N 1 0 301.437 0.757 10 0 DCAERO CCN(CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+])S(C)(=O)=O ZINC000249841138 1183484896 /nfs/dbraw/zinc/48/48/96/1183484896.db2.gz SROMGXWYMOSELF-NWDGAFQWSA-N 1 0 305.444 0.292 10 0 DCAERO CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261728056 1184989118 /nfs/dbraw/zinc/98/91/18/1184989118.db2.gz QWANFGLGXWWWIZ-QWHCGFSZSA-N 1 0 308.403 0.772 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000262373428 1185167155 /nfs/dbraw/zinc/16/71/55/1185167155.db2.gz LZVVHZVDCJVSKX-DGCLKSJQSA-N 1 0 300.362 0.511 10 0 DCAERO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCS1(=O)=O ZINC000262596263 1185169783 /nfs/dbraw/zinc/16/97/83/1185169783.db2.gz XAUWLZIYCKXUIT-SGMGOOAPSA-N 1 0 300.424 0.412 10 0 DCAERO O[C@H](C[NH2+]CC[C@]1(O)CCOC1)COCc1cccs1 ZINC000404215370 1190190197 /nfs/dbraw/zinc/19/01/97/1190190197.db2.gz SWHDUVXVLBOTCC-OCCSQVGLSA-N 1 0 301.408 0.757 10 0 DCAERO O=S(=O)(c1c(F)cc(F)cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322227 185290822 /nfs/dbraw/zinc/29/08/22/185290822.db2.gz JNBRYHLIYXEUAQ-OCAPTIKFSA-N 1 0 306.309 0.944 10 0 DCAERO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000192016099 295698956 /nfs/dbraw/zinc/69/89/56/295698956.db2.gz HFVBWDNCHPKZMM-LBPRGKRZSA-N 1 0 317.455 0.353 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181420155 199293635 /nfs/dbraw/zinc/29/36/35/199293635.db2.gz UVHVKBKLTUXJCT-LLVKDONJSA-N 1 0 310.402 0.169 10 0 DCAERO CN(C)c1nc(CN2CC[NH+](C3CCOCC3)CC2)ns1 ZINC000154244542 529802329 /nfs/dbraw/zinc/80/23/29/529802329.db2.gz UWUVZZCNWBUEEU-UHFFFAOYSA-N 1 0 311.455 0.901 10 0 DCAERO CNC(=O)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC000178400652 529919711 /nfs/dbraw/zinc/91/97/11/529919711.db2.gz OZSWDMJGWUDWDU-CYBMUJFWSA-N 1 0 314.430 0.169 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccnc3ccnn32)cn1 ZINC000261923388 282681371 /nfs/dbraw/zinc/68/13/71/282681371.db2.gz KQOCJLHUVFTBLM-NEPJUHHUSA-N 1 0 311.349 0.405 10 0 DCAERO Cn1cnn(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1=O ZINC000179715286 186209494 /nfs/dbraw/zinc/20/94/94/186209494.db2.gz 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/nfs/dbraw/zinc/23/42/03/194234203.db2.gz JJRLMAJHBNAVNM-STQMWFEESA-N 1 0 300.472 0.769 10 0 DCAERO COc1nc(C)cc(C)c1CNC(=O)CN1CCC[N@H+](C)CC1 ZINC000065427396 184342500 /nfs/dbraw/zinc/34/25/00/184342500.db2.gz IUMRLPOPLDRWPJ-UHFFFAOYSA-N 1 0 320.437 0.961 10 0 DCAERO COc1cc(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)ccc1F ZINC000299743741 533097964 /nfs/dbraw/zinc/09/79/64/533097964.db2.gz PFEHPLOSBMUFQW-YPMHNXCESA-N 1 0 316.354 0.196 10 0 DCAERO O=C(Cc1ccccc1Br)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262283915 220468831 /nfs/dbraw/zinc/46/88/31/220468831.db2.gz OCBHGMFTIHAAAR-ZYHUDNBSSA-N 1 0 313.195 0.688 10 0 DCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)CC2CC2)C1 ZINC000347914399 254201404 /nfs/dbraw/zinc/20/14/04/254201404.db2.gz WQVKRGOSLOGAJX-KBPBESRZSA-N 1 0 302.440 0.911 10 0 DCAERO CCN1CCCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1=O ZINC000248726231 285216225 /nfs/dbraw/zinc/21/62/25/285216225.db2.gz USPHFJGFMDCKBM-KGLIPLIRSA-N 1 0 310.442 0.979 10 0 DCAERO 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/nfs/dbraw/zinc/97/22/27/395972227.db2.gz HQDRXTIXTCOFHY-SNVBAGLBSA-N 1 0 309.391 0.675 10 0 DCAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000150863110 395974048 /nfs/dbraw/zinc/97/40/48/395974048.db2.gz XIYYOXNPKWJQAD-ZIAGYGMSSA-N 1 0 309.410 0.226 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247553646 395976155 /nfs/dbraw/zinc/97/61/55/395976155.db2.gz ZMTKCKRCQXOMLC-MGPQQGTHSA-N 1 0 308.426 0.875 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000247557543 395976696 /nfs/dbraw/zinc/97/66/96/395976696.db2.gz UGKBMHLCTGQRIN-LSDHHAIUSA-N 1 0 319.453 0.762 10 0 DCAERO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247974332 395981698 /nfs/dbraw/zinc/98/16/98/395981698.db2.gz GDPRKDORWJBTFY-JSGCOSHPSA-N 1 0 311.407 0.097 10 0 DCAERO COC(=O)C(C)(C)C[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000151821325 395993909 /nfs/dbraw/zinc/99/39/09/395993909.db2.gz XCUIMEFSLNDAQL-LLVKDONJSA-N 1 0 308.382 0.623 10 0 DCAERO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)O1 ZINC000248822738 395997843 /nfs/dbraw/zinc/99/78/43/395997843.db2.gz BZFLUQCXKAZSES-IHRRRGAJSA-N 1 0 309.410 0.496 10 0 DCAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC(CO)C2)[C@@H](C)C1 ZINC000253282105 396025583 /nfs/dbraw/zinc/02/55/83/396025583.db2.gz ZCQLFXMFISWZAE-DZGCQCFKSA-N 1 0 313.442 0.757 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCOCC1 ZINC000261845722 396071598 /nfs/dbraw/zinc/07/15/98/396071598.db2.gz LXVCTRKPURZJKB-UHFFFAOYSA-N 1 0 323.437 0.745 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000155148896 396047700 /nfs/dbraw/zinc/04/77/00/396047700.db2.gz UYMJWFPJOZDTJB-TXEJJXNPSA-N 1 0 315.373 0.834 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261661125 396053068 /nfs/dbraw/zinc/05/30/68/396053068.db2.gz GXNGHCYCDHPZCG-AAEUAGOBSA-N 1 0 305.382 0.262 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000261715134 396059621 /nfs/dbraw/zinc/05/96/21/396059621.db2.gz KXWBLBNPHCBKMB-OAHLLOKOSA-N 1 0 324.446 0.841 10 0 DCAERO [NH3+]C1(C(=O)NCCc2nc3cc(F)ccc3[nH]2)CCOCC1 ZINC000261792377 396066599 /nfs/dbraw/zinc/06/65/99/396066599.db2.gz IFXCIHGZSUCSRD-UHFFFAOYSA-N 1 0 306.341 0.869 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)on1 ZINC000261799302 396067274 /nfs/dbraw/zinc/06/72/74/396067274.db2.gz QTFWCGKZTMWOFD-CYBMUJFWSA-N 1 0 301.350 0.963 10 0 DCAERO O=S(=O)(C1CC1)N1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261808339 396068231 /nfs/dbraw/zinc/06/82/31/396068231.db2.gz PRGOVXWBLXXUAD-CYBMUJFWSA-N 1 0 301.456 0.486 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000249181004 396004143 /nfs/dbraw/zinc/00/41/43/396004143.db2.gz NFTYZXNSVLRTAK-YPMHNXCESA-N 1 0 318.377 0.019 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000249609395 396010086 /nfs/dbraw/zinc/01/00/86/396010086.db2.gz BLSOTWPAQSDHFK-VXGBXAGGSA-N 1 0 303.428 0.011 10 0 DCAERO C[C@@H]1C[NH+](CCCNC(=O)c2cc(C(N)=O)cn2C)C[C@@H](C)O1 ZINC000152624904 396014538 /nfs/dbraw/zinc/01/45/38/396014538.db2.gz FTDLJBCCDKEOJM-VXGBXAGGSA-N 1 0 322.409 0.353 10 0 DCAERO C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261834294 396070835 /nfs/dbraw/zinc/07/08/35/396070835.db2.gz BVKSIVKDOLJADX-OKILXGFUSA-N 1 0 310.442 0.140 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCCCC2)nc1 ZINC000262076880 396096275 /nfs/dbraw/zinc/09/62/75/396096275.db2.gz CDMSMVZJUKBDAL-HUUCEWRRSA-N 1 0 318.421 0.772 10 0 DCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000170873440 396099685 /nfs/dbraw/zinc/09/96/85/396099685.db2.gz KTUFGTGFOBFENC-LLVKDONJSA-N 1 0 312.391 0.782 10 0 DCAERO CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)CO2 ZINC000262114948 396100385 /nfs/dbraw/zinc/10/03/85/396100385.db2.gz FNLBHNAXQZZKLM-GUTXKFCHSA-N 1 0 320.389 0.333 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc(F)cc1F ZINC000262127732 396101897 /nfs/dbraw/zinc/10/18/97/396101897.db2.gz LGTFYTCPJMBYGT-UHFFFAOYSA-N 1 0 311.332 0.398 10 0 DCAERO COCc1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000171107159 396107190 /nfs/dbraw/zinc/10/71/90/396107190.db2.gz BOVZTLQJIQJCTB-CYBMUJFWSA-N 1 0 314.407 0.442 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(OC(F)F)cn1 ZINC000262196485 396109501 /nfs/dbraw/zinc/10/95/01/396109501.db2.gz KCOMALJQQCELCK-UHFFFAOYSA-N 1 0 300.309 0.551 10 0 DCAERO C[NH2+][C@@H](C(=O)N1CCN(C(=O)C(C)C)CC1)c1cnn(C)c1 ZINC000262252866 396115064 /nfs/dbraw/zinc/11/50/64/396115064.db2.gz STMAJNVBZAHZGM-CYBMUJFWSA-N 1 0 307.398 0.007 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000262255403 396116200 /nfs/dbraw/zinc/11/62/00/396116200.db2.gz LUKBJYACDJIGBM-SYEQVDHESA-N 1 0 302.374 0.423 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262292008 396119188 /nfs/dbraw/zinc/11/91/88/396119188.db2.gz OUHROPWVMSUELU-HRCADAONSA-N 1 0 303.406 0.348 10 0 DCAERO CS(=O)(=O)c1ccc([C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171626477 396120631 /nfs/dbraw/zinc/12/06/31/396120631.db2.gz ZGIQJLDXTBUYOJ-ZBFHGGJFSA-N 1 0 324.446 0.904 10 0 DCAERO C[C@H](N1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1)C(F)(F)F ZINC000262329046 396124751 /nfs/dbraw/zinc/12/47/51/396124751.db2.gz SCVCLZMNIZKMJV-NSHDSACASA-N 1 0 323.359 0.837 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000262330365 396125246 /nfs/dbraw/zinc/12/52/46/396125246.db2.gz GOLZRASKQLHIJB-QWHCGFSZSA-N 1 0 320.393 0.541 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)no1 ZINC000262334870 396126055 /nfs/dbraw/zinc/12/60/55/396126055.db2.gz FMAIOOGGWCZYNF-STQMWFEESA-N 1 0 321.425 0.664 10 0 DCAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262343024 396127633 /nfs/dbraw/zinc/12/76/33/396127633.db2.gz YZHVOOUIUNWXQQ-BBRMVZONSA-N 1 0 311.426 0.601 10 0 DCAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000171883623 396127666 /nfs/dbraw/zinc/12/76/66/396127666.db2.gz DJQFHFOQOFEGMX-UONOGXRCSA-N 1 0 311.426 0.303 10 0 DCAERO CC1CCC(N2C[C@H](C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CC2=O)CC1 ZINC000262380903 396132478 /nfs/dbraw/zinc/13/24/78/396132478.db2.gz XAVLJFVBADPERS-KYRRZXGASA-N 1 0 323.437 0.110 10 0 DCAERO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000262390867 396134519 /nfs/dbraw/zinc/13/45/19/396134519.db2.gz OEVBNIYNFBIPLH-RWMBFGLXSA-N 1 0 306.410 0.906 10 0 DCAERO COCCN(CCOC)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262423226 396138398 /nfs/dbraw/zinc/13/83/98/396138398.db2.gz FFDMIGDHRDZVOQ-WOSRLPQWSA-N 1 0 314.426 0.640 10 0 DCAERO CC[C@@H]1CN(C(=O)CCOCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000174601363 396138853 /nfs/dbraw/zinc/13/88/53/396138853.db2.gz AFKDAZVJKWUXOG-ZIAGYGMSSA-N 1 0 302.415 0.343 10 0 DCAERO C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CCOCC1 ZINC000174760587 396139363 /nfs/dbraw/zinc/13/93/63/396139363.db2.gz MDXMYTXYADHXAR-XHSDSOJGSA-N 1 0 322.453 0.751 10 0 DCAERO [NH3+][C@H](C(=O)NC[C@@H]1CCCN1c1cccnn1)C1CCOCC1 ZINC000261868465 396074245 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COc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1NS(C)(=O)=O ZINC000262690802 396173423 /nfs/dbraw/zinc/17/34/23/396173423.db2.gz AHURRPCFURNHMW-LBPRGKRZSA-N 1 0 315.395 0.989 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc12 ZINC000262754970 396179101 /nfs/dbraw/zinc/17/91/01/396179101.db2.gz HNOWBKIQLCAROA-ZANVPECISA-N 1 0 323.422 0.553 10 0 DCAERO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000177613586 396179664 /nfs/dbraw/zinc/17/96/64/396179664.db2.gz KFSNWANFMSJFQK-OCCSQVGLSA-N 1 0 304.394 0.405 10 0 DCAERO COc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000177681688 396180957 /nfs/dbraw/zinc/18/09/57/396180957.db2.gz QYIXDRYAOMIUDD-ZDUSSCGKSA-N 1 0 303.362 0.940 10 0 DCAERO O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177687848 396181458 /nfs/dbraw/zinc/18/14/58/396181458.db2.gz WIWVPAVKTMRYCW-AWEZNQCLSA-N 1 0 315.373 0.867 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)oc1C ZINC000262778522 396181608 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CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CO)c2ccccc2)C1 ZINC000183777802 396274768 /nfs/dbraw/zinc/27/47/68/396274768.db2.gz XLRGJOLJSMIFNL-UKRRQHHQSA-N 1 0 312.435 0.981 10 0 DCAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC(=O)NCC1CC1 ZINC000183792799 396275541 /nfs/dbraw/zinc/27/55/41/396275541.db2.gz SJHQEDBPOZFCEY-UHFFFAOYSA-N 1 0 322.409 0.879 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)N1CCOCC1 ZINC000179892982 396229768 /nfs/dbraw/zinc/22/97/68/396229768.db2.gz DGDDPCUAWUSVDH-CYBMUJFWSA-N 1 0 308.378 0.843 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cn1nc2ccccn2c1=O ZINC000077730537 396229973 /nfs/dbraw/zinc/22/99/73/396229973.db2.gz PFLHVUAXJABYIT-CYBMUJFWSA-N 1 0 319.409 0.589 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cnn(C)c2)CC1 ZINC000184946674 396311662 /nfs/dbraw/zinc/31/16/62/396311662.db2.gz WMUJQWLXVBUXFL-CYBMUJFWSA-N 1 0 323.441 0.654 10 0 DCAERO CC(C)S(=O)(=O)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080718653 396284919 /nfs/dbraw/zinc/28/49/19/396284919.db2.gz MCCWXSGDYDCUHI-YHWZYXNKSA-N 1 0 302.440 0.941 10 0 DCAERO CCn1c(N)c(C(=O)C[NH2+][C@H](C)C2CCCC2)c(=O)[nH]c1=O ZINC000184638127 396300847 /nfs/dbraw/zinc/30/08/47/396300847.db2.gz ZXAGMRVJWIUANP-SECBINFHSA-N 1 0 308.382 0.490 10 0 DCAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184715216 396302849 /nfs/dbraw/zinc/30/28/49/396302849.db2.gz MZTWPSXYLZDYGH-HUUCEWRRSA-N 1 0 306.362 0.645 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(NC(=O)COC)C1 ZINC000185410474 396327480 /nfs/dbraw/zinc/32/74/80/396327480.db2.gz UWRNMFCOVPSIBU-CYBMUJFWSA-N 1 0 312.414 0.017 10 0 DCAERO CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000185389784 396326976 /nfs/dbraw/zinc/32/69/76/396326976.db2.gz SMFPANTXDKNKON-CABCVRRESA-N 1 0 314.474 0.671 10 0 DCAERO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC)C12CCOCC2 ZINC000186314461 396347467 /nfs/dbraw/zinc/34/74/67/396347467.db2.gz CICRPBPELXIGIL-STQMWFEESA-N 1 0 305.440 0.985 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)cnc4ccccc43)C[C@@H]12 ZINC000186937376 396360382 /nfs/dbraw/zinc/36/03/82/396360382.db2.gz SSJBSWMBVDRNRV-YNEHKIRRSA-N 1 0 312.373 0.592 10 0 DCAERO Cn1nnc2ccc(C(=O)N3CCO[C@H]4CC[N@H+](C)C[C@H]43)cc21 ZINC000285946655 396364672 /nfs/dbraw/zinc/36/46/72/396364672.db2.gz VZSCKTYAFZOCQN-CABCVRRESA-N 1 0 315.377 0.513 10 0 DCAERO COc1ccc(F)c(C(=O)NC[C@@H]2CN(C)CCO2)c1OC ZINC000188341525 396381950 /nfs/dbraw/zinc/38/19/50/396381950.db2.gz VTSIRGXUFRGJHA-SNVBAGLBSA-N 1 0 312.341 0.903 10 0 DCAERO CCc1nsc(N2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)n1 ZINC000188779563 396386652 /nfs/dbraw/zinc/38/66/52/396386652.db2.gz KXLQAPVVRDHNQA-VHSXEESVSA-N 1 0 313.402 0.449 10 0 DCAERO CCNC(=O)NC1(C(=O)N2CC[NH+]3CCC2CC3)CCCC1 ZINC000188862324 396388046 /nfs/dbraw/zinc/38/80/46/396388046.db2.gz KLXBNEADUPBWJF-UHFFFAOYSA-N 1 0 308.426 0.925 10 0 DCAERO O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189787306 396399449 /nfs/dbraw/zinc/39/94/49/396399449.db2.gz ZNNGNVWVNIIWIR-UHFFFAOYSA-N 1 0 313.361 0.808 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189785740 396399600 /nfs/dbraw/zinc/39/96/00/396399600.db2.gz JAJYXLQJANZGNX-UHFFFAOYSA-N 1 0 304.350 0.335 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000190678419 396410132 /nfs/dbraw/zinc/41/01/32/396410132.db2.gz DVTHKBAMXUOZBF-UONOGXRCSA-N 1 0 300.447 0.689 10 0 DCAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000191170759 396416821 /nfs/dbraw/zinc/41/68/21/396416821.db2.gz YFOBDCLYEBRBRK-NFAWXSAZSA-N 1 0 310.394 0.509 10 0 DCAERO CCN1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1=O ZINC000191529156 396421383 /nfs/dbraw/zinc/42/13/83/396421383.db2.gz PBGQKASAHOCRAH-OAHLLOKOSA-N 1 0 318.421 0.527 10 0 DCAERO Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC[NH+]1CCCC1 ZINC000192024845 396428519 /nfs/dbraw/zinc/42/85/19/396428519.db2.gz NIGIEMDWWWFRBX-LBPRGKRZSA-N 1 0 313.427 0.437 10 0 DCAERO CSC[C@@H](O)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000188091981 396379297 /nfs/dbraw/zinc/37/92/97/396379297.db2.gz JNXYRLCYBMAUOM-GJZGRUSLSA-N 1 0 301.500 0.812 10 0 DCAERO COc1cccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000515168279 396500911 /nfs/dbraw/zinc/50/09/11/396500911.db2.gz UUNARHVEEHCPQT-UHFFFAOYSA-N 1 0 307.394 0.722 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)CC3(O)CCC3)[C@@H]2C1 ZINC000528502050 396557866 /nfs/dbraw/zinc/55/78/66/396557866.db2.gz JAHZHRNQCXVCHD-JJXSEGSLSA-N 1 0 310.438 0.889 10 0 DCAERO C[C@@H](NC(=O)N1CCO[C@]2(CCOC2)C1)C1=CC[N@H+](C)CC1 ZINC000373235842 396576517 /nfs/dbraw/zinc/57/65/17/396576517.db2.gz WJNVALIEUKVEOV-CZUORRHYSA-N 1 0 309.410 0.838 10 0 DCAERO CC[C@H](C)[C@H]1CN(C[C@H](O)COC)CC[N@@H+]1C[C@H](O)COC ZINC000562112359 396651611 /nfs/dbraw/zinc/65/16/11/396651611.db2.gz OVGJZFJIHLHXBD-YHUYYLMFSA-N 1 0 318.458 0.033 10 0 DCAERO C[C@@H]1CN(c2ncc(I)cn2)C[C@H]1[NH3+] ZINC000300049124 396714901 /nfs/dbraw/zinc/71/49/01/396714901.db2.gz PQAKACGFQZFJNN-HTRCEHHLSA-N 1 0 304.135 0.865 10 0 DCAERO CC[C@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1C[C@@H](C)O ZINC000301410254 396716516 /nfs/dbraw/zinc/71/65/16/396716516.db2.gz OPKXYLORWORYDZ-OLZOCXBDSA-N 1 0 306.410 0.723 10 0 DCAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312915432 396768323 /nfs/dbraw/zinc/76/83/23/396768323.db2.gz BXXROIORVGUEPB-OLZOCXBDSA-N 1 0 308.444 0.130 10 0 DCAERO C[N@H+](CCCN1C(=O)CNC1=O)C[C@@H]1CCc2nccn2C1 ZINC000328635825 396829425 /nfs/dbraw/zinc/82/94/25/396829425.db2.gz NQIJQZCNFNIOGK-LBPRGKRZSA-N 1 0 305.382 0.524 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2COCCN2C)cc1 ZINC000629600354 396804547 /nfs/dbraw/zinc/80/45/47/396804547.db2.gz UTPXDHPQTFBEOH-JKSUJKDBSA-N 1 0 322.405 0.549 10 0 DCAERO C[NH+](C)CCn1cc(NC(=O)C2(C(=O)NC3CC3)CCC2)cn1 ZINC000591170329 396883021 /nfs/dbraw/zinc/88/30/21/396883021.db2.gz FXNQHGWWYATDPT-UHFFFAOYSA-N 1 0 319.409 0.832 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@](C)(C[NH3+])C1 ZINC000630360878 396994032 /nfs/dbraw/zinc/99/40/32/396994032.db2.gz HOFUADHFCRYZRX-KOLCDFICSA-N 1 0 305.425 0.578 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H](CCF)C2)CC1 ZINC000626001696 397051447 /nfs/dbraw/zinc/05/14/47/397051447.db2.gz WTIWLYNQLXMZGT-GXTWGEPZSA-N 1 0 315.389 0.126 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000626036897 397057841 /nfs/dbraw/zinc/05/78/41/397057841.db2.gz RUQXKPGPYXGYFD-ZNMIVQPWSA-N 1 0 320.389 0.825 10 0 DCAERO Cc1cc(C)c(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000378003897 397178518 /nfs/dbraw/zinc/17/85/18/397178518.db2.gz UBKBJQQMEZBUHQ-OAHLLOKOSA-N 1 0 321.421 0.985 10 0 DCAERO c1c(C[NH2+]CCCO[C@@H]2CCOC2)nnn1C[C@@H]1CCOC1 ZINC000631090200 397168591 /nfs/dbraw/zinc/16/85/91/397168591.db2.gz WRZVSNHOWAFRNC-DZGCQCFKSA-N 1 0 310.398 0.600 10 0 DCAERO CNS(=O)(=O)CCC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000407950379 397333266 /nfs/dbraw/zinc/33/32/66/397333266.db2.gz DDXNPUBIZXQZNL-ZDUSSCGKSA-N 1 0 319.471 0.111 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000577652746 397350742 /nfs/dbraw/zinc/35/07/42/397350742.db2.gz XVGFIMZTEXORGV-MCIONIFRSA-N 1 0 309.410 0.223 10 0 DCAERO CS[C@@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1[NH+]1CCCC1 ZINC000408349291 397353587 /nfs/dbraw/zinc/35/35/87/397353587.db2.gz OHZOZPVVHGFPMK-GMTAPVOTSA-N 1 0 300.428 0.081 10 0 DCAERO Cc1cc(CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)on1 ZINC000478861829 397455247 /nfs/dbraw/zinc/45/52/47/397455247.db2.gz FSCIUDLKZYWPAV-UHFFFAOYSA-N 1 0 323.441 0.851 10 0 DCAERO COC(=O)CCCN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602522377 397428080 /nfs/dbraw/zinc/42/80/80/397428080.db2.gz SGBCSQPXEZXJKA-HNNXBMFYSA-N 1 0 321.421 0.857 10 0 DCAERO C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614178790 397393981 /nfs/dbraw/zinc/39/39/81/397393981.db2.gz DVEPNJPBRHPZPD-FIKIJFGZSA-N 1 0 315.443 0.675 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000578294808 397415037 /nfs/dbraw/zinc/41/50/37/397415037.db2.gz WAZJNMCNLBJYMJ-GFCCVEGCSA-N 1 0 321.425 0.940 10 0 DCAERO CN(CC(=O)N1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000604018989 397629423 /nfs/dbraw/zinc/62/94/23/397629423.db2.gz CMXNRJGARJOBLA-UHFFFAOYSA-N 1 0 304.438 0.829 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247381753 286067913 /nfs/dbraw/zinc/06/79/13/286067913.db2.gz VZSODMCUPNRJBV-KGLIPLIRSA-N 1 0 301.431 0.180 10 0 DCAERO COCCCS(=O)(=O)NCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175233434 292374383 /nfs/dbraw/zinc/37/43/83/292374383.db2.gz KYQWWDJTBSBFFK-UONOGXRCSA-N 1 0 319.471 0.111 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000058853783 158026301 /nfs/dbraw/zinc/02/63/01/158026301.db2.gz FIVWXTZOQVKOSN-OAHLLOKOSA-N 1 0 324.469 0.387 10 0 DCAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000067571816 158039553 /nfs/dbraw/zinc/03/95/53/158039553.db2.gz RPEYRBJINDMGJF-AWEZNQCLSA-N 1 0 311.426 0.424 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000068079649 158040545 /nfs/dbraw/zinc/04/05/45/158040545.db2.gz DFCQJVXSWIRCBZ-UHFFFAOYSA-N 1 0 302.440 0.896 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000074229930 158058007 /nfs/dbraw/zinc/05/80/07/158058007.db2.gz SDGWNPJFJWPSQZ-ZDUSSCGKSA-N 1 0 321.487 0.751 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091491235 158107971 /nfs/dbraw/zinc/10/79/71/158107971.db2.gz RWTKCYYGPMABOE-BPCQOVAHSA-N 1 0 300.399 0.393 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000091712548 158109888 /nfs/dbraw/zinc/10/98/88/158109888.db2.gz OIRAJJDKYSDINL-TZMCWYRMSA-N 1 0 323.441 0.668 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000091712546 158109896 /nfs/dbraw/zinc/10/98/96/158109896.db2.gz OIRAJJDKYSDINL-GXTWGEPZSA-N 1 0 323.441 0.668 10 0 DCAERO O=C(CN1CCCC[C@@H]1CN1CCOCC1)NCC(F)(F)F ZINC000109819984 158137957 /nfs/dbraw/zinc/13/79/57/158137957.db2.gz OFTCBVSSMLHASE-GFCCVEGCSA-N 1 0 323.359 0.852 10 0 DCAERO Cc1noc(COCC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000114327477 158151969 /nfs/dbraw/zinc/15/19/69/158151969.db2.gz FIQGMOBPONYDPZ-UHFFFAOYSA-N 1 0 308.382 0.981 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cn[nH]n3)CC2)nc1 ZINC000114414896 158152536 /nfs/dbraw/zinc/15/25/36/158152536.db2.gz BIXFEJWKSPXCSI-UHFFFAOYSA-N 1 0 315.381 0.224 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CC)C1)CC2 ZINC000114940330 158160012 /nfs/dbraw/zinc/16/00/12/158160012.db2.gz KQOXPXFAOTXTEV-OLZOCXBDSA-N 1 0 320.441 0.939 10 0 DCAERO CCOc1ncccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117030771 158169611 /nfs/dbraw/zinc/16/96/11/158169611.db2.gz YTKKJIHCWCTALN-AWEZNQCLSA-N 1 0 322.409 0.952 10 0 DCAERO CCCC[N@H+](C)CC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000117985659 158174630 /nfs/dbraw/zinc/17/46/30/158174630.db2.gz LLIALXUKLLRREQ-UHFFFAOYSA-N 1 0 324.425 0.509 10 0 DCAERO COCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118107367 158176233 /nfs/dbraw/zinc/17/62/33/158176233.db2.gz MKAVQDLZBGEHHH-ZDUSSCGKSA-N 1 0 305.378 0.982 10 0 DCAERO CCN(CC)C(=O)CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120675228 158201805 /nfs/dbraw/zinc/20/18/05/158201805.db2.gz CJBDKNAPKJLPAA-UONOGXRCSA-N 1 0 313.442 0.549 10 0 DCAERO C[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(C)(C)C[NH+](C)C ZINC000120648627 158202146 /nfs/dbraw/zinc/20/21/46/158202146.db2.gz FTVGWXGYUMQLBA-VXGBXAGGSA-N 1 0 308.430 0.868 10 0 DCAERO Cc1ccccc1C(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000123859759 158235578 /nfs/dbraw/zinc/23/55/78/158235578.db2.gz WKQCUZZNOCGLLP-MRXNPFEDSA-N 1 0 307.394 0.154 10 0 DCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000124840154 158248241 /nfs/dbraw/zinc/24/82/41/158248241.db2.gz XQTXAQPFQBZKKL-GDBMZVCRSA-N 1 0 315.417 0.898 10 0 DCAERO O=C(NCCN1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000124827947 158248350 /nfs/dbraw/zinc/24/83/50/158248350.db2.gz HVCKOCOWFWWLOQ-UHFFFAOYSA-N 1 0 310.442 0.588 10 0 DCAERO C[NH+](C)C1CCN(CCNC(=O)c2cnn3c2CCCC3)CC1 ZINC000127637470 158275594 /nfs/dbraw/zinc/27/55/94/158275594.db2.gz HOPDGGZFEYNEOI-UHFFFAOYSA-N 1 0 319.453 0.975 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000129445998 158289131 /nfs/dbraw/zinc/28/91/31/158289131.db2.gz JDWRRWJOWYSWGR-BFHYXJOUSA-N 1 0 308.426 0.922 10 0 DCAERO CC[C@@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1C[C@@H](C)O ZINC000133325796 158318361 /nfs/dbraw/zinc/31/83/61/158318361.db2.gz QEROVGQIRWVVMM-CHWSQXEVSA-N 1 0 310.398 0.129 10 0 DCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cncc(Br)c1 ZINC000133742447 158321816 /nfs/dbraw/zinc/32/18/16/158321816.db2.gz HXYAMZSYRJUZGT-MRVPVSSYSA-N 1 0 320.212 0.732 10 0 DCAERO CN1CCO[C@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000135401310 158335959 /nfs/dbraw/zinc/33/59/59/158335959.db2.gz DPVAQUHJLIMWPW-GJZGRUSLSA-N 1 0 306.362 0.623 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171706951 158386192 /nfs/dbraw/zinc/38/61/92/158386192.db2.gz GUEPTFWJZKIACZ-CABCVRRESA-N 1 0 310.442 0.587 10 0 DCAERO CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172125556 158390882 /nfs/dbraw/zinc/39/08/82/158390882.db2.gz USEZDGKVHXOSRC-CHWSQXEVSA-N 1 0 314.430 0.263 10 0 DCAERO CC(C)N1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000172233879 158392099 /nfs/dbraw/zinc/39/20/99/158392099.db2.gz AJDPSWHMHDAKKD-CQSZACIVSA-N 1 0 308.426 0.875 10 0 DCAERO CCOC(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)OCC ZINC000184936964 158512545 /nfs/dbraw/zinc/51/25/45/158512545.db2.gz ATYVFQSJBSKKOJ-AWEZNQCLSA-N 1 0 314.426 0.956 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193635766 158587981 /nfs/dbraw/zinc/58/79/81/158587981.db2.gz MPCUXNGJSRUIHW-HZSPNIEDSA-N 1 0 311.426 0.184 10 0 DCAERO C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@@H]1CCC[NH2+]C1 ZINC000230847989 158625356 /nfs/dbraw/zinc/62/53/56/158625356.db2.gz LFHHQPYOORSYMI-RKDXNWHRSA-N 1 0 306.819 0.740 10 0 DCAERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]([NH3+])CCC(N)=O)C2)cc1 ZINC000248900523 158700928 /nfs/dbraw/zinc/70/09/28/158700928.db2.gz YWWDHOIUHBCUOM-LNSITVRQSA-N 1 0 319.405 0.992 10 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/nfs/dbraw/zinc/77/76/05/158777605.db2.gz WYSUGTZSVOSGEE-UHFFFAOYSA-N 1 0 312.439 0.840 10 0 DCAERO CN1C(=O)N(CC(=O)NC2CC[NH2+]CC2)C(=O)C12CCCCC2 ZINC000262213777 158785194 /nfs/dbraw/zinc/78/51/94/158785194.db2.gz XQMMSTVMGQJARX-UHFFFAOYSA-N 1 0 322.409 0.452 10 0 DCAERO CN(C)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)nc1 ZINC000262332004 158798920 /nfs/dbraw/zinc/79/89/20/158798920.db2.gz SIKPNGLRBQRXPE-KGLIPLIRSA-N 1 0 314.393 0.823 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2cccc(F)c2)CCOCC1 ZINC000262331852 158799504 /nfs/dbraw/zinc/79/95/04/158799504.db2.gz SGMYZPUXAGEXTM-IUODEOHRSA-N 1 0 322.380 0.570 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cn1 ZINC000262371385 158805211 /nfs/dbraw/zinc/80/52/11/158805211.db2.gz WENVSEWCNRMMIX-XCBNKYQSSA-N 1 0 300.156 0.154 10 0 DCAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262541620 158822886 /nfs/dbraw/zinc/82/28/86/158822886.db2.gz NJLBLLVCVISOCL-MJBXVCDLSA-N 1 0 312.410 0.993 10 0 DCAERO Cn1nc(CC(=O)N[C@H](C[NH3+])C2CC2)c2ccccc2c1=O ZINC000262585377 158828388 /nfs/dbraw/zinc/82/83/88/158828388.db2.gz OBKZSYCWYYPLIK-CQSZACIVSA-N 1 0 300.362 0.330 10 0 DCAERO COc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1OCC(N)=O ZINC000262631981 158830997 /nfs/dbraw/zinc/83/09/97/158830997.db2.gz WPOJOVLWAUQAMP-ZJUUUORDSA-N 1 0 307.350 0.625 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262755907 158838849 /nfs/dbraw/zinc/83/88/49/158838849.db2.gz HUOUVABCIKVTKH-ZWNOBZJWSA-N 1 0 312.391 0.750 10 0 DCAERO COc1cc(OC)c(CNC(=O)C[C@H](C[NH3+])OC)c(OC)c1 ZINC000262859819 158845421 /nfs/dbraw/zinc/84/54/21/158845421.db2.gz LBZKQLWNIIKTAZ-LLVKDONJSA-N 1 0 312.366 0.692 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC(=O)N1C ZINC000328729338 159025171 /nfs/dbraw/zinc/02/51/71/159025171.db2.gz WBPOAXAVRGSJJT-OCCSQVGLSA-N 1 0 309.410 0.176 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](Oc3ccccn3)C2)[N@H+](C)C1 ZINC000329003226 159050591 /nfs/dbraw/zinc/05/05/91/159050591.db2.gz YAFPNJFPLPODMN-RDBSUJKOSA-N 1 0 305.378 0.780 10 0 DCAERO C[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)n1cncn1 ZINC000329083533 159060303 /nfs/dbraw/zinc/06/03/03/159060303.db2.gz FFHPSWCTADAZJW-KBPBESRZSA-N 1 0 320.441 0.466 10 0 DCAERO C[C@@H]1CN(C(=O)c2nccnc2N)CCN1C1CC[NH+](C)CC1 ZINC000329102249 159062370 /nfs/dbraw/zinc/06/23/70/159062370.db2.gz NFZZKZIGCJSORB-GFCCVEGCSA-N 1 0 318.425 0.299 10 0 DCAERO CC[C@@H]1CCCCN1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329190745 159071436 /nfs/dbraw/zinc/07/14/36/159071436.db2.gz REDJIWFCEOGAEG-BFHYXJOUSA-N 1 0 314.451 0.896 10 0 DCAERO O=C(CN1CC(=O)NC1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329208169 159073175 /nfs/dbraw/zinc/07/31/75/159073175.db2.gz FNIJJOVDENKNMH-UHFFFAOYSA-N 1 0 308.382 0.855 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)O1 ZINC000329289513 159080122 /nfs/dbraw/zinc/08/01/22/159080122.db2.gz ICMBFAHAYDSCRH-YJNKXOJESA-N 1 0 323.437 0.565 10 0 DCAERO C[C@H]1CCN(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000329409119 159089865 /nfs/dbraw/zinc/08/98/65/159089865.db2.gz BEFJKXCWDJPRJK-WCQYABFASA-N 1 0 303.428 0.026 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)nc2n1 ZINC000329906610 159127331 /nfs/dbraw/zinc/12/73/31/159127331.db2.gz KFRUDTHEFFADLR-BETUJISGSA-N 1 0 314.393 0.304 10 0 DCAERO CCn1nccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000329975847 159132455 /nfs/dbraw/zinc/13/24/55/159132455.db2.gz DVKSWSSLSRVOPS-GFCCVEGCSA-N 1 0 300.428 0.913 10 0 DCAERO O=C1CCCN1[C@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000330055671 159139051 /nfs/dbraw/zinc/13/90/51/159139051.db2.gz USGXHRCCYJGUCW-ZDUSSCGKSA-N 1 0 315.439 0.109 10 0 DCAERO Cc1nc(N2CCC([NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000407983850 160002306 /nfs/dbraw/zinc/00/23/06/160002306.db2.gz FXJXDJUMOKZONP-UHFFFAOYSA-N 1 0 304.441 0.629 10 0 DCAERO O=C(CCCN1C(=O)CNC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408021938 160013929 /nfs/dbraw/zinc/01/39/29/160013929.db2.gz KIXAQKAYOIEVFG-LBPRGKRZSA-N 1 0 308.382 0.015 10 0 DCAERO CCCCN(C)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408027776 160015605 /nfs/dbraw/zinc/01/56/05/160015605.db2.gz MORAIXGEXJYRBK-OLZOCXBDSA-N 1 0 305.444 0.368 10 0 DCAERO CCCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408027775 160015927 /nfs/dbraw/zinc/01/59/27/160015927.db2.gz MORAIXGEXJYRBK-CHWSQXEVSA-N 1 0 305.444 0.368 10 0 DCAERO Cc1cnn(CC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000408038917 160019397 /nfs/dbraw/zinc/01/93/97/160019397.db2.gz RLSWIHCBNCFTQQ-CQSZACIVSA-N 1 0 306.410 0.903 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)[N@H+](C)C1 ZINC000408038832 160019776 /nfs/dbraw/zinc/01/97/76/160019776.db2.gz QIWDXFKQVQPXNJ-ZFWWWQNUSA-N 1 0 306.410 0.845 10 0 DCAERO CC1CCN(C(=O)C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000408043684 160020244 /nfs/dbraw/zinc/02/02/44/160020244.db2.gz YORWPPBFYHCIRK-UONOGXRCSA-N 1 0 309.410 0.176 10 0 DCAERO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408049427 160023194 /nfs/dbraw/zinc/02/31/94/160023194.db2.gz ZMFVRTPSCDFDEO-MRXNPFEDSA-N 1 0 311.426 0.303 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000408063570 160026661 /nfs/dbraw/zinc/02/66/61/160026661.db2.gz VSDZGJVLQNIBGL-MELADBBJSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408071889 160029227 /nfs/dbraw/zinc/02/92/27/160029227.db2.gz OZTQBAAQHVFMNI-HZSPNIEDSA-N 1 0 319.471 0.157 10 0 DCAERO CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408073403 160029524 /nfs/dbraw/zinc/02/95/24/160029524.db2.gz LIMQLCWUICMLBW-AGGWBTHJSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCSC2)C[C@@H]1C ZINC000408105670 160037194 /nfs/dbraw/zinc/03/71/94/160037194.db2.gz QOAHZRAFTRCGGQ-AVGNSLFASA-N 1 0 301.456 0.979 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000408113533 160038775 /nfs/dbraw/zinc/03/87/75/160038775.db2.gz SWMSZGJEQCXHFM-BFHYXJOUSA-N 1 0 314.451 0.958 10 0 DCAERO C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[S@]1=O ZINC000408211595 160060855 /nfs/dbraw/zinc/06/08/55/160060855.db2.gz PXXMETVHPAHURC-XUSGNXJCSA-N 1 0 313.467 0.182 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CC[S@](=O)[C@H](C)C2)CC1 ZINC000408211248 160061067 /nfs/dbraw/zinc/06/10/67/160061067.db2.gz NNMYORIMPNEYML-ODXCJYRJSA-N 1 0 301.456 0.040 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000408212974 160061404 /nfs/dbraw/zinc/06/14/04/160061404.db2.gz BGRMGZRZBIWPSU-QWHCGFSZSA-N 1 0 302.440 0.959 10 0 DCAERO C[NH+](C)CC1(C(=O)N2CCS(=O)(=O)CC2)CCCCC1 ZINC000408229484 160064776 /nfs/dbraw/zinc/06/47/76/160064776.db2.gz SPPAJUCWSSCUBJ-UHFFFAOYSA-N 1 0 302.440 0.756 10 0 DCAERO CC[NH+]1CCC(N(C)S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408237658 160065946 /nfs/dbraw/zinc/06/59/46/160065946.db2.gz RFBPQERWECQQPK-QWHCGFSZSA-N 1 0 319.471 0.757 10 0 DCAERO Cc1nnc([C@@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCO2)[nH]1 ZINC000408271776 160073345 /nfs/dbraw/zinc/07/33/45/160073345.db2.gz ZJNSRVNUWNQMCV-LOWVWBTDSA-N 1 0 307.398 0.886 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C(C)=O)C1 ZINC000408274754 160074682 /nfs/dbraw/zinc/07/46/82/160074682.db2.gz NZPHOBUYOMNQNJ-LJISPDSOSA-N 1 0 311.426 0.611 10 0 DCAERO NC(=O)N1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000408305234 160080904 /nfs/dbraw/zinc/08/09/04/160080904.db2.gz IGTVGVFPSXSVAK-AWEZNQCLSA-N 1 0 308.426 0.864 10 0 DCAERO CNC(=O)CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000408317224 160084228 /nfs/dbraw/zinc/08/42/28/160084228.db2.gz GAICXBSLQWQDBI-UHFFFAOYSA-N 1 0 310.442 0.140 10 0 DCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408371580 160093954 /nfs/dbraw/zinc/09/39/54/160093954.db2.gz ZCXMSVCNQOYASS-MELADBBJSA-N 1 0 321.421 0.714 10 0 DCAERO CCn1cncc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000408394257 160099922 /nfs/dbraw/zinc/09/99/22/160099922.db2.gz OSKOGJTTZFYTIV-RYUDHWBXSA-N 1 0 300.428 0.864 10 0 DCAERO Cc1nn(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000408422121 160105050 /nfs/dbraw/zinc/10/50/50/160105050.db2.gz DZEZTUBRWUIGEA-GXFFZTMASA-N 1 0 321.425 0.917 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C2(C)CC2)CC1 ZINC000408460609 160113403 /nfs/dbraw/zinc/11/34/03/160113403.db2.gz PRTVJXNUSYNHNQ-LBPRGKRZSA-N 1 0 304.456 0.893 10 0 DCAERO CCCNC(=O)CCCC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000131532042 287001022 /nfs/dbraw/zinc/00/10/22/287001022.db2.gz VJGFIBWUBRBYLB-CQSZACIVSA-N 1 0 313.442 0.598 10 0 DCAERO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000134485191 287016440 /nfs/dbraw/zinc/01/64/40/287016440.db2.gz WXJWTHYGDQKWTM-QZTJIDSGSA-N 1 0 322.449 0.953 10 0 DCAERO COCC(=O)N[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000137113968 287027859 /nfs/dbraw/zinc/02/78/59/287027859.db2.gz QTQQNAIRCHEDOO-HIFRSBDPSA-N 1 0 315.458 0.866 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@](C)(O)C3)ccn2)CC1 ZINC000152631153 287043226 /nfs/dbraw/zinc/04/32/26/287043226.db2.gz OBVGNJXXIXBVHF-KRWDZBQOSA-N 1 0 318.421 0.820 10 0 DCAERO CC(=O)N[C@@H](CC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000153046745 287046341 /nfs/dbraw/zinc/04/63/41/287046341.db2.gz DPSMHRSAMNJHMS-RDJZCZTQSA-N 1 0 321.421 0.683 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000177340508 287054296 /nfs/dbraw/zinc/05/42/96/287054296.db2.gz YRPGOXFNCQGAKV-ZNMIVQPWSA-N 1 0 322.453 0.269 10 0 DCAERO Cc1nc(CN2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)no1 ZINC000181005649 287055894 /nfs/dbraw/zinc/05/58/94/287055894.db2.gz PQVOMMXGXBDXSN-OAHLLOKOSA-N 1 0 307.398 0.554 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[C@H](O)CC3)ccn2)CC1 ZINC000245540605 287070627 /nfs/dbraw/zinc/07/06/27/287070627.db2.gz KIQVICRWAXCBTP-SHTZXODSSA-N 1 0 318.421 0.867 10 0 DCAERO Cc1ccn(C)c(=O)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246011613 287075353 /nfs/dbraw/zinc/07/53/53/287075353.db2.gz IIIFCECHNZTEEQ-STQMWFEESA-N 1 0 322.409 0.613 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000246184812 287078607 /nfs/dbraw/zinc/07/86/07/287078607.db2.gz HQUOISLYPHCXSI-MRVWCRGKSA-N 1 0 308.426 0.922 10 0 DCAERO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CS2 ZINC000247385403 287093228 /nfs/dbraw/zinc/09/32/28/287093228.db2.gz WKULMVUEJZJSJZ-HUBLWGQQSA-N 1 0 309.435 0.747 10 0 DCAERO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CCN1C ZINC000247404746 287093733 /nfs/dbraw/zinc/09/37/33/287093733.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 1 0 300.443 0.957 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247120857 287091456 /nfs/dbraw/zinc/09/14/56/287091456.db2.gz JRPQGSCXUCKQHN-AJNGGQMLSA-N 1 0 313.442 0.009 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCOC2=O)C1 ZINC000247489253 287094335 /nfs/dbraw/zinc/09/43/35/287094335.db2.gz WTLBXJGXFJDVEZ-CHWSQXEVSA-N 1 0 312.414 0.857 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245534310 685157316 /nfs/dbraw/zinc/15/73/16/685157316.db2.gz YOUYRSQBZYOXBI-OLZOCXBDSA-N 1 0 319.471 0.791 10 0 DCAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC000251640104 287119507 /nfs/dbraw/zinc/11/95/07/287119507.db2.gz HDGAGTGXOMILKS-KCQAQPDRSA-N 1 0 311.426 0.422 10 0 DCAERO CCCC[N@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024941112 415158266 /nfs/dbraw/zinc/15/82/66/415158266.db2.gz WNEIWTCOVXZNKI-ZDUSSCGKSA-N 1 0 320.389 0.738 10 0 DCAERO CCN(CCCNC(=O)C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000038035922 415195601 /nfs/dbraw/zinc/19/56/01/415195601.db2.gz JUGPEYRGROGFDN-UHFFFAOYSA-N 1 0 305.444 0.292 10 0 DCAERO Cc1nc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1C ZINC000050254606 415311256 /nfs/dbraw/zinc/31/12/56/415311256.db2.gz GLLOXFXOOXWICC-OLZOCXBDSA-N 1 0 312.439 0.881 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307937 415325540 /nfs/dbraw/zinc/32/55/40/415325540.db2.gz LOYNHULWOPKTTM-OLZOCXBDSA-N 1 0 317.455 0.306 10 0 DCAERO CC(=O)NCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057203567 415337273 /nfs/dbraw/zinc/33/72/73/415337273.db2.gz DMRXZODNWFKQLL-INIZCTEOSA-N 1 0 320.437 0.985 10 0 DCAERO CC(C)NC(=O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000060760300 415347993 /nfs/dbraw/zinc/34/79/93/415347993.db2.gz YUAKJURJRAHMJK-UHFFFAOYSA-N 1 0 307.394 0.881 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)CCO ZINC000074167243 415428353 /nfs/dbraw/zinc/42/83/53/415428353.db2.gz KKWLHLIFDZHJEI-CYBMUJFWSA-N 1 0 301.431 0.805 10 0 DCAERO CCC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000332787071 415475004 /nfs/dbraw/zinc/47/50/04/415475004.db2.gz CHKDAOHSEDKNNI-YPMHNXCESA-N 1 0 311.451 0.898 10 0 DCAERO C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279415256 415514942 /nfs/dbraw/zinc/51/49/42/415514942.db2.gz WJFZWJWFQJCUGY-KBPBESRZSA-N 1 0 321.400 0.948 10 0 DCAERO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000333031001 415536746 /nfs/dbraw/zinc/53/67/46/415536746.db2.gz CFMLXOLBZMNMMH-BLYZHGLHSA-N 1 0 308.426 0.827 10 0 DCAERO COC[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[C@@H]1CCCO1 ZINC000333091611 415553634 /nfs/dbraw/zinc/55/36/34/415553634.db2.gz ZPWIOJWJNKMLHQ-XQLPTFJDSA-N 1 0 311.426 0.916 10 0 DCAERO O=C(Nc1ccn2ccnc2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333321300 415609322 /nfs/dbraw/zinc/60/93/22/415609322.db2.gz NAMFXQSBFGFKMR-CQSZACIVSA-N 1 0 314.393 0.846 10 0 DCAERO C[C@H]1CN(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947437 415625625 /nfs/dbraw/zinc/62/56/25/415625625.db2.gz PMKKUJHADCYKLP-ZDUSSCGKSA-N 1 0 324.425 0.113 10 0 DCAERO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105279254 415633113 /nfs/dbraw/zinc/63/31/13/415633113.db2.gz ZJXQITHXQNMBBB-CHWSQXEVSA-N 1 0 312.414 0.017 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC000105818405 415638244 /nfs/dbraw/zinc/63/82/44/415638244.db2.gz SCKUKKVWAKAWBR-HNNXBMFYSA-N 1 0 321.425 0.277 10 0 DCAERO CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC3(C(=O)OC)CC3)C2)n1 ZINC000283650902 415589932 /nfs/dbraw/zinc/58/99/32/415589932.db2.gz CLAPLQURPSABQB-GFCCVEGCSA-N 1 0 320.393 0.833 10 0 DCAERO Cc1cc(CNC(=O)N2CC[NH2+]C[C@H]2C)nc(N2CCCC2)n1 ZINC000333550235 415681873 /nfs/dbraw/zinc/68/18/73/415681873.db2.gz KDLXLGWCKOURNV-CYBMUJFWSA-N 1 0 318.425 0.889 10 0 DCAERO CC(C)N1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000333666165 415708832 /nfs/dbraw/zinc/70/88/32/415708832.db2.gz XPCOVHFGIMPXOF-ZDUSSCGKSA-N 1 0 308.426 0.781 10 0 DCAERO O=C(CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)NCC1CC1 ZINC000333787835 415739767 /nfs/dbraw/zinc/73/97/67/415739767.db2.gz MABMGIGAYOOHNV-CQSZACIVSA-N 1 0 308.426 0.686 10 0 DCAERO Cc1cc(CN2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)no1 ZINC000333785155 415740129 /nfs/dbraw/zinc/74/01/29/415740129.db2.gz FGEKDCARUUZSBA-AWEZNQCLSA-N 1 0 321.425 0.952 10 0 DCAERO CN1CCO[C@@H](CNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000120218063 415761306 /nfs/dbraw/zinc/76/13/06/415761306.db2.gz MIQZCCOSYOHZJH-LBPRGKRZSA-N 1 0 320.349 0.709 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1=O ZINC000344074187 415835435 /nfs/dbraw/zinc/83/54/35/415835435.db2.gz PXTPCEAIZUPPGD-ITGHMWBKSA-N 1 0 308.426 0.778 10 0 DCAERO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1cc2c(cc1Cl)OCCO2 ZINC000123199353 415838243 /nfs/dbraw/zinc/83/82/43/415838243.db2.gz PAERBCDDLSYCSO-MRVPVSSYSA-N 1 0 318.782 0.751 10 0 DCAERO O=S(=O)(NC1C[NH2+]C1)c1cc2c(cc1Cl)OCCO2 ZINC000123837981 415846182 /nfs/dbraw/zinc/84/61/82/415846182.db2.gz QWVGQOCCRKGXRY-UHFFFAOYSA-N 1 0 304.755 0.361 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000336821040 415819962 /nfs/dbraw/zinc/81/99/62/415819962.db2.gz GGZZGRSQYMBNOF-OLZOCXBDSA-N 1 0 322.496 0.458 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cnn(C)c2)n1C ZINC000290873408 415825597 /nfs/dbraw/zinc/82/55/97/415825597.db2.gz YETLPLKKBUHNPX-AAEUAGOBSA-N 1 0 301.398 0.889 10 0 DCAERO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCC[NH+](C)C ZINC000126118178 415874773 /nfs/dbraw/zinc/87/47/73/415874773.db2.gz ADSYOGWXDWDLPF-GFCCVEGCSA-N 1 0 317.393 0.646 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000128363990 415897410 /nfs/dbraw/zinc/89/74/10/415897410.db2.gz BQGMWPPQORIGMN-HNNXBMFYSA-N 1 0 311.430 0.651 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000129846660 415911365 /nfs/dbraw/zinc/91/13/65/415911365.db2.gz UNKDLJKKLNZDTQ-UHFFFAOYSA-N 1 0 317.455 0.259 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccnc1 ZINC000133466909 415945494 /nfs/dbraw/zinc/94/54/94/415945494.db2.gz DJLAUFFRASLUMB-CABCVRRESA-N 1 0 316.405 0.897 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000133408518 415945996 /nfs/dbraw/zinc/94/59/96/415945996.db2.gz VWWDQOHBVWXFBK-GXTWGEPZSA-N 1 0 302.378 0.507 10 0 DCAERO Cc1cc(F)cc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000153455488 415980591 /nfs/dbraw/zinc/98/05/91/415980591.db2.gz NVRNKYFOJBXUQY-CQSZACIVSA-N 1 0 323.368 0.862 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000357239267 416050237 /nfs/dbraw/zinc/05/02/37/416050237.db2.gz SBQTWUXIFKBUGW-GFCCVEGCSA-N 1 0 317.393 0.226 10 0 DCAERO CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000173511330 416061016 /nfs/dbraw/zinc/06/10/16/416061016.db2.gz LRXRSXOCACHSSP-GFCCVEGCSA-N 1 0 317.455 0.689 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000173727187 416063778 /nfs/dbraw/zinc/06/37/78/416063778.db2.gz FVDRVXYEHHRTSO-CHWSQXEVSA-N 1 0 318.439 0.828 10 0 DCAERO C[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893683 416068726 /nfs/dbraw/zinc/06/87/26/416068726.db2.gz FHBJUUCBZLOZPA-JKSUJKDBSA-N 1 0 324.469 0.834 10 0 DCAERO COCc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)n2ncnc2n1 ZINC000301081342 416073625 /nfs/dbraw/zinc/07/36/25/416073625.db2.gz GRHYNYVYHDHRHI-CYBMUJFWSA-N 1 0 302.382 0.945 10 0 DCAERO COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000174408809 416077854 /nfs/dbraw/zinc/07/78/54/416077854.db2.gz KTUGWYLCCXRNIP-LBPRGKRZSA-N 1 0 320.393 0.117 10 0 DCAERO COCCCNC(=O)[C@H](C)N1CCN(c2cccnn2)CC1 ZINC000170649391 416027522 /nfs/dbraw/zinc/02/75/22/416027522.db2.gz PQMCJTRDFPTQEX-ZDUSSCGKSA-N 1 0 307.398 0.140 10 0 DCAERO Cc1nc(SCC(=O)NC[C@H]2CN(C3CC3)CCO2)n[nH]1 ZINC000174869473 416087971 /nfs/dbraw/zinc/08/79/71/416087971.db2.gz UXPAUWBHCAKQPU-NSHDSACASA-N 1 0 311.411 0.185 10 0 DCAERO Cc1ncccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175061902 416096358 /nfs/dbraw/zinc/09/63/58/416096358.db2.gz PIIKQXRREHCDQH-ZDUSSCGKSA-N 1 0 320.393 0.292 10 0 DCAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000305654166 416104998 /nfs/dbraw/zinc/10/49/98/416104998.db2.gz VMADTOSIHVBYEX-OLZOCXBDSA-N 1 0 304.456 0.893 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC2(C1)CCCCC2 ZINC000313653159 416109455 /nfs/dbraw/zinc/10/94/55/416109455.db2.gz JSEPOPBLQNZAEP-CYBMUJFWSA-N 1 0 302.440 0.961 10 0 DCAERO C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000175620702 416110805 /nfs/dbraw/zinc/11/08/05/416110805.db2.gz UCUJITTVKMQCLC-UKRRQHHQSA-N 1 0 310.442 0.443 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCCc2cn[nH]c2)C[C@H](C)O1 ZINC000357664629 416112922 /nfs/dbraw/zinc/11/29/22/416112922.db2.gz LCWUOUGCCUBKHX-BETUJISGSA-N 1 0 309.414 0.751 10 0 DCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000175795108 416114431 /nfs/dbraw/zinc/11/44/31/416114431.db2.gz WKDABLRBMHDYPC-HUUCEWRRSA-N 1 0 313.442 0.226 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176945329 416137825 /nfs/dbraw/zinc/13/78/25/416137825.db2.gz SBZLJZTZSCZUQF-CHWSQXEVSA-N 1 0 308.426 0.923 10 0 DCAERO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1CCCO1 ZINC000177039733 416140600 /nfs/dbraw/zinc/14/06/00/416140600.db2.gz IOXQYXPVKMVOPL-VIFPVBQESA-N 1 0 311.304 0.875 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357867495 416145044 /nfs/dbraw/zinc/14/50/44/416145044.db2.gz VMGXYDHVAZWLLL-KGLIPLIRSA-N 1 0 310.442 0.981 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329040899 416146729 /nfs/dbraw/zinc/14/67/29/416146729.db2.gz SQRSSAGGHOJPPE-XQQFMLRXSA-N 1 0 303.410 0.995 10 0 DCAERO CNC(=O)Cc1nc(CN2CCO[C@H](C[NH+](C)C)C2)cs1 ZINC000177599985 416148804 /nfs/dbraw/zinc/14/88/04/416148804.db2.gz YXPUZDQSMMZOTD-GFCCVEGCSA-N 1 0 312.439 0.194 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(N)nc(N(C)C)n1 ZINC000177993291 416154510 /nfs/dbraw/zinc/15/45/10/416154510.db2.gz QAIIYYFBHLXXDN-VXGBXAGGSA-N 1 0 305.430 0.578 10 0 DCAERO Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000178746957 416170415 /nfs/dbraw/zinc/17/04/15/416170415.db2.gz RCRSCLJCCQPESB-AWEZNQCLSA-N 1 0 321.425 0.653 10 0 DCAERO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178715112 416170649 /nfs/dbraw/zinc/17/06/49/416170649.db2.gz RZNQMGOJPPPTHG-JKSUJKDBSA-N 1 0 315.417 0.946 10 0 DCAERO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000178961752 416179381 /nfs/dbraw/zinc/17/93/81/416179381.db2.gz DSNIRSBURNQFBC-ZYHUDNBSSA-N 1 0 311.407 0.533 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1ccccn1 ZINC000179215681 416184030 /nfs/dbraw/zinc/18/40/30/416184030.db2.gz FHSQQKGCQYRGKW-HNNXBMFYSA-N 1 0 319.453 0.949 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N(C)[C@H](C)C[NH3+])CC2)n1 ZINC000179190028 416184271 /nfs/dbraw/zinc/18/42/71/416184271.db2.gz VXGVEICBDRPSGZ-LLVKDONJSA-N 1 0 307.398 0.507 10 0 DCAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)c1 ZINC000179544838 416191218 /nfs/dbraw/zinc/19/12/18/416191218.db2.gz YEPBDRWUBFQQEE-AWEZNQCLSA-N 1 0 317.393 0.426 10 0 DCAERO COc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)on1 ZINC000182141326 416214658 /nfs/dbraw/zinc/21/46/58/416214658.db2.gz RRMIEERTYMRCHW-CYBMUJFWSA-N 1 0 322.409 0.925 10 0 DCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000182360858 416219967 /nfs/dbraw/zinc/21/99/67/416219967.db2.gz FLUXGSHIGVHDFY-BXUZGUMPSA-N 1 0 309.414 0.786 10 0 DCAERO COC(=O)C1CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000182818477 416230714 /nfs/dbraw/zinc/23/07/14/416230714.db2.gz PIXPBULADHSUGD-QOZQQMKHSA-N 1 0 300.399 0.395 10 0 DCAERO C[C@@H]1CN(C(=O)NCc2ccnn2C)CC[N@@H+]1CC(C)(C)O ZINC000187482569 416260417 /nfs/dbraw/zinc/26/04/17/416260417.db2.gz KMDYNLLPWPEZOT-GFCCVEGCSA-N 1 0 309.414 0.407 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000189447815 416266329 /nfs/dbraw/zinc/26/63/29/416266329.db2.gz JWJGQXPRDRQCJF-GFCCVEGCSA-N 1 0 313.427 0.757 10 0 DCAERO Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)ccc1F ZINC000190027195 416273865 /nfs/dbraw/zinc/27/38/65/416273865.db2.gz CPIRHWYEZWUWDI-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N[C@H](CO)C(C)(C)C)ccn2)CC1 ZINC000192882081 416311042 /nfs/dbraw/zinc/31/10/42/416311042.db2.gz BWBYHEGHTLLXHS-CQSZACIVSA-N 1 0 320.437 0.970 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000193100226 416311966 /nfs/dbraw/zinc/31/19/66/416311966.db2.gz KORAYNHDGNIBLL-AWEZNQCLSA-N 1 0 318.487 0.190 10 0 DCAERO Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000193476362 416317276 /nfs/dbraw/zinc/31/72/76/416317276.db2.gz HKZLKWWOGRCLBB-ZDUSSCGKSA-N 1 0 320.393 0.426 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2C(=O)NCC[C@H]2C)CC1 ZINC000194020690 416320552 /nfs/dbraw/zinc/32/05/52/416320552.db2.gz NDIPOFZHPCNBTO-TZMCWYRMSA-N 1 0 310.442 0.932 10 0 DCAERO COC(=O)Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000191129076 416284434 /nfs/dbraw/zinc/28/44/34/416284434.db2.gz VYPZRNPUWCYXNI-LBPRGKRZSA-N 1 0 306.366 0.965 10 0 DCAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000191173293 416285705 /nfs/dbraw/zinc/28/57/05/416285705.db2.gz LGSCDXRWEFIEFH-GHMZBOCLSA-N 1 0 300.399 0.678 10 0 DCAERO CCn1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000191989364 416295423 /nfs/dbraw/zinc/29/54/23/416295423.db2.gz LLGOEPIEGVWGNA-AWEZNQCLSA-N 1 0 324.425 0.755 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000250142365 416334509 /nfs/dbraw/zinc/33/45/09/416334509.db2.gz ZFIFRCOUWIXZCC-VOAKCMCISA-N 1 0 307.394 0.276 10 0 DCAERO Brc1cncnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261556379 416335529 /nfs/dbraw/zinc/33/55/29/416335529.db2.gz BZOPFWYFEKLBMU-SNVBAGLBSA-N 1 0 312.215 0.723 10 0 DCAERO COCC[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000261634000 416335680 /nfs/dbraw/zinc/33/56/80/416335680.db2.gz CJECHFZIPCIBFR-QGZVFWFLSA-N 1 0 317.433 0.882 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000262547742 416336955 /nfs/dbraw/zinc/33/69/55/416336955.db2.gz RYIPFLAOTKKGSS-CKEIUWERSA-N 1 0 307.438 0.826 10 0 DCAERO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262637635 416336959 /nfs/dbraw/zinc/33/69/59/416336959.db2.gz QIDQHDWPCBJJHG-QGZVFWFLSA-N 1 0 316.405 0.966 10 0 DCAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CN1CCOCC1=O)c1ccco1 ZINC000359546907 416350256 /nfs/dbraw/zinc/35/02/56/416350256.db2.gz QVGIUADFNVYDLG-OLZOCXBDSA-N 1 0 323.393 0.684 10 0 DCAERO C[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000194858575 416324990 /nfs/dbraw/zinc/32/49/90/416324990.db2.gz CLZXHKDZJPWZMJ-YPMHNXCESA-N 1 0 311.407 0.303 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1cn[nH]c1 ZINC000360283737 416384704 /nfs/dbraw/zinc/38/47/04/416384704.db2.gz ODTNVSNHTNXBIH-UHFFFAOYSA-N 1 0 308.430 0.231 10 0 DCAERO CN(C)c1ncc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)n1C ZINC000419752032 416409069 /nfs/dbraw/zinc/40/90/69/416409069.db2.gz VQOUEQSJPVJIAR-CHWSQXEVSA-N 1 0 314.455 0.932 10 0 DCAERO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532745158 416452636 /nfs/dbraw/zinc/45/26/36/416452636.db2.gz YDHPSXLXQBBJNZ-MJBXVCDLSA-N 1 0 301.383 0.570 10 0 DCAERO Cn1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000583068423 416458497 /nfs/dbraw/zinc/45/84/97/416458497.db2.gz SWOQKLZTDJYXTF-UHFFFAOYSA-N 1 0 317.397 1.205 10 0 DCAERO O=C(CN1CCOCC1=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000365693854 416606465 /nfs/dbraw/zinc/60/64/65/416606465.db2.gz HQPDQZIVFTXJDC-UHFFFAOYSA-N 1 0 323.437 0.759 10 0 DCAERO CO[C@@H](C)[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514698695 416672123 /nfs/dbraw/zinc/67/21/23/416672123.db2.gz DGWKSRWVVYWVPG-FRRDWIJNSA-N 1 0 314.430 0.296 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369275070 416743048 /nfs/dbraw/zinc/74/30/48/416743048.db2.gz VFIOGDLHBILJDB-GDBMZVCRSA-N 1 0 322.453 0.282 10 0 DCAERO Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623099371 416743422 /nfs/dbraw/zinc/74/34/22/416743422.db2.gz LEMCAVFYZRFEDE-JHJVBQTASA-N 1 0 307.398 0.644 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832868 416755220 /nfs/dbraw/zinc/75/52/20/416755220.db2.gz ORMQBLLEIPNKLS-UKRRQHHQSA-N 1 0 310.442 0.269 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2O)CC1(C)C ZINC000442626616 416700909 /nfs/dbraw/zinc/70/09/09/416700909.db2.gz QOTBGJFSPJRNPV-UONOGXRCSA-N 1 0 312.458 0.615 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443106097 416732488 /nfs/dbraw/zinc/73/24/88/416732488.db2.gz VSAABRMTKNFJOA-CYBMUJFWSA-N 1 0 318.487 0.331 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000631961071 416833328 /nfs/dbraw/zinc/83/33/28/416833328.db2.gz DDRBFZJAQIHQGB-VIFPVBQESA-N 1 0 306.819 0.966 10 0 DCAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000624030070 416942838 /nfs/dbraw/zinc/94/28/38/416942838.db2.gz IZGBTWFNDJKEAA-MELADBBJSA-N 1 0 322.413 0.249 10 0 DCAERO CN(C1CCCCC1)S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624386617 417024430 /nfs/dbraw/zinc/02/44/30/417024430.db2.gz QXEZAZDRMRWXPY-UHFFFAOYSA-N 1 0 305.444 0.593 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(OC)c1 ZINC000624397578 417029665 /nfs/dbraw/zinc/02/96/65/417029665.db2.gz DHYHXPDSDIKQTM-UHFFFAOYSA-N 1 0 302.396 0.552 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000624412732 417033435 /nfs/dbraw/zinc/03/34/35/417033435.db2.gz JKSDTEWOIOTIQL-MCIONIFRSA-N 1 0 301.456 0.895 10 0 DCAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000390574411 417100153 /nfs/dbraw/zinc/10/01/53/417100153.db2.gz CJESZPJJWWOVDI-DOTOQJQBSA-N 1 0 308.422 0.874 10 0 DCAERO C[C@@H](CNC(=O)N1CCOCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000378434129 417079102 /nfs/dbraw/zinc/07/91/02/417079102.db2.gz UGUOPKCTLDBYRN-LSDHHAIUSA-N 1 0 312.458 0.690 10 0 DCAERO CC(C)O[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000404767065 417120642 /nfs/dbraw/zinc/12/06/42/417120642.db2.gz WXMGVIOEZFIRNO-STQMWFEESA-N 1 0 306.428 0.194 10 0 DCAERO O=C(NCC[N@H+]1CC=CCC1)NCc1nnc2ccccn21 ZINC000525973839 417169142 /nfs/dbraw/zinc/16/91/42/417169142.db2.gz LXJOJKWUTNBNCD-UHFFFAOYSA-N 1 0 300.366 0.790 10 0 DCAERO c1nnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000450312270 417217906 /nfs/dbraw/zinc/21/79/06/417217906.db2.gz GTLCFFKTBQXGMN-UHFFFAOYSA-N 1 0 319.438 1.342 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)CC12COC2 ZINC000451133546 417302547 /nfs/dbraw/zinc/30/25/47/417302547.db2.gz JRZAPCNCWKYPAA-KGLIPLIRSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)CC12COC2 ZINC000451139203 417305168 /nfs/dbraw/zinc/30/51/68/417305168.db2.gz RRUFEEUMZKYICK-AWEZNQCLSA-N 1 0 324.421 0.756 10 0 DCAERO C[C@@H](O)CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000438998194 287380015 /nfs/dbraw/zinc/38/00/15/287380015.db2.gz KDQUEKWWKLXYAM-OAHLLOKOSA-N 1 0 305.422 0.691 10 0 DCAERO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)c1cn(CC2CC2)nn1 ZINC000644069115 417463820 /nfs/dbraw/zinc/46/38/20/417463820.db2.gz CIMGAEJUZZELIZ-GUTXKFCHSA-N 1 0 319.409 0.406 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638680607 417535999 /nfs/dbraw/zinc/53/59/99/417535999.db2.gz FWQQNVNMQVNAJG-QNWHQSFQSA-N 1 0 300.424 0.540 10 0 DCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000575832874 417555393 /nfs/dbraw/zinc/55/53/93/417555393.db2.gz MQHZZPNJZVEBQZ-XHDPSFHLSA-N 1 0 308.382 0.716 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000629170040 417751602 /nfs/dbraw/zinc/75/16/02/417751602.db2.gz QTSRTDXYSAZHRK-OAHLLOKOSA-N 1 0 305.378 0.466 10 0 DCAERO C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCC(C)CC1 ZINC000458041349 417718765 /nfs/dbraw/zinc/71/87/65/417718765.db2.gz DABUUYSKRVJGOT-KGLIPLIRSA-N 1 0 324.429 0.059 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000659336758 418084181 /nfs/dbraw/zinc/08/41/81/418084181.db2.gz OLRZWMQWRZCUNB-NEPJUHHUSA-N 1 0 302.440 0.693 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNC(=O)C2CC2)[C@H](C)C1 ZINC000178685194 545895578 /nfs/dbraw/zinc/89/55/78/545895578.db2.gz JIHAPJQFQCZVJO-TZMCWYRMSA-N 1 0 310.442 0.884 10 0 DCAERO NC(=O)[C@H](O)C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000299748566 229390632 /nfs/dbraw/zinc/39/06/32/229390632.db2.gz HMMAGRSNKKESQR-HZPDHXFCSA-N 1 0 306.406 0.538 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000046034756 261106304 /nfs/dbraw/zinc/10/63/04/261106304.db2.gz QBJKOPPFBVXWED-STQMWFEESA-N 1 0 305.444 0.416 10 0 DCAERO CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000195518929 261152446 /nfs/dbraw/zinc/15/24/46/261152446.db2.gz 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271065205 /nfs/dbraw/zinc/06/52/05/271065205.db2.gz DXAJXFRFZKAJLV-HNNXBMFYSA-N 1 0 311.426 0.725 10 0 DCAERO CC(=O)c1cn(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000448940358 271836120 /nfs/dbraw/zinc/83/61/20/271836120.db2.gz ZLWDEKWXUGAYLU-CQSZACIVSA-N 1 0 319.409 0.958 10 0 DCAERO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)Cn1ccnn1 ZINC000459696640 272005644 /nfs/dbraw/zinc/00/56/44/272005644.db2.gz LVKZNLUSSLMOFV-HNNXBMFYSA-N 1 0 316.340 0.754 10 0 DCAERO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000533057072 272800216 /nfs/dbraw/zinc/80/02/16/272800216.db2.gz MOLRWZQDZHWCHZ-LBPRGKRZSA-N 1 0 314.382 0.424 10 0 DCAERO CN(C)C(=O)C(C)(C)[NH2+]CCc1nnnn1-c1ccccc1 ZINC000533386735 287787308 /nfs/dbraw/zinc/78/73/08/287787308.db2.gz IPCAIDURJCGGIN-UHFFFAOYSA-N 1 0 302.382 0.661 10 0 DCAERO CC1(C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC[C@H]1[NH3+] ZINC000261687352 276121987 /nfs/dbraw/zinc/12/19/87/276121987.db2.gz AXBPDJCZFABCOS-LLVKDONJSA-N 1 0 322.409 0.437 10 0 DCAERO 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323.437 0.469 10 0 DCAERO Cn1ccnc1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534109912 518195238 /nfs/dbraw/zinc/19/52/38/518195238.db2.gz IWJOKBYBAJUNGD-GJZGRUSLSA-N 1 0 324.425 0.099 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)c1cccnc1 ZINC000124190001 521651060 /nfs/dbraw/zinc/65/10/60/521651060.db2.gz HULBIRWMFGCGFI-AWEZNQCLSA-N 1 0 304.394 0.754 10 0 DCAERO C[NH2+]CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000237298726 522002394 /nfs/dbraw/zinc/00/23/94/522002394.db2.gz WMTRNAFNKXKQGD-SNVBAGLBSA-N 1 0 317.386 0.170 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189368707 522032500 /nfs/dbraw/zinc/03/25/00/522032500.db2.gz ZDIWWEBDXLIYAZ-INIZCTEOSA-N 1 0 315.417 0.896 10 0 DCAERO COC1(C(=O)NCC[S@@](=O)Cc2ccccc2)CC[NH2+]CC1 ZINC000157268067 522550395 /nfs/dbraw/zinc/55/03/95/522550395.db2.gz HJVSBXWUMJZNNW-QFIPXVFZSA-N 1 0 324.446 0.820 10 0 DCAERO COC(=O)CNC(=O)CC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000364932666 523187680 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ZINC000262338907 545983331 /nfs/dbraw/zinc/98/33/31/545983331.db2.gz SWPGISUSKAPWNI-JQWIXIFHSA-N 1 0 313.195 0.688 10 0 DCAERO CCOc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262326307 545983438 /nfs/dbraw/zinc/98/34/38/545983438.db2.gz RUNMOWWAOJOUKX-BBRMVZONSA-N 1 0 320.389 0.745 10 0 DCAERO O=C(Cc1ccc(OC(F)F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262337621 545983778 /nfs/dbraw/zinc/98/37/78/545983778.db2.gz SUQMYWYQERFDKS-JQWIXIFHSA-N 1 0 300.305 0.527 10 0 DCAERO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OCC ZINC000262357976 545984594 /nfs/dbraw/zinc/98/45/94/545984594.db2.gz UZFOAMTZUFFAHS-QWHCGFSZSA-N 1 0 308.378 0.794 10 0 DCAERO C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000333364706 546078652 /nfs/dbraw/zinc/07/86/52/546078652.db2.gz LRDQGGDHRTYNPY-GBJTYRQASA-N 1 0 310.442 0.347 10 0 DCAERO C[C@H]1CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@H]1[NH+](C)C ZINC000333455987 546081763 /nfs/dbraw/zinc/08/17/63/546081763.db2.gz ZOKOUBASSJHTGN-ATGSNQNLSA-N 1 0 321.425 0.842 10 0 DCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000669421322 546969873 /nfs/dbraw/zinc/96/98/73/546969873.db2.gz IJEICTWHGHSAJK-SNPRPXQTSA-N 1 0 316.405 0.919 10 0 DCAERO CC(C)(C)NC(=O)NC[C@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073757 547658710 /nfs/dbraw/zinc/65/87/10/547658710.db2.gz UEKYDWUUTWMPQW-GWCFXTLKSA-N 1 0 303.428 0.251 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccncn1)C2 ZINC000888095457 661166590 /nfs/dbraw/zinc/16/65/90/661166590.db2.gz YUJUQDUILRATOW-IXYNUQLISA-N 1 0 304.394 0.686 10 0 DCAERO CN(C)c1ncc(C[NH2+]CC(C)(C)CS(C)(=O)=O)n1C ZINC000723884499 657718177 /nfs/dbraw/zinc/71/81/77/657718177.db2.gz XOGZSBVXWNWKHL-UHFFFAOYSA-N 1 0 302.444 0.647 10 0 DCAERO O=S(=O)(N[C@H](C1CC1)[C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000723969506 657777757 /nfs/dbraw/zinc/77/77/57/657777757.db2.gz QZYFYHAZHCPOOE-MELADBBJSA-N 1 0 302.440 0.863 10 0 DCAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000888077795 658720960 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CCN(CC)C(=O)C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262323915 662325694 /nfs/dbraw/zinc/32/56/94/662325694.db2.gz DBOHIFZVIVTMMN-CQSZACIVSA-N 1 0 311.426 0.472 10 0 DCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000262357128 662346391 /nfs/dbraw/zinc/34/63/91/662346391.db2.gz GWLXNGUWJPTXNT-NSHDSACASA-N 1 0 323.374 0.794 10 0 DCAERO Cc1c2ccccc2oc(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262419668 662376456 /nfs/dbraw/zinc/37/64/56/662376456.db2.gz ZZEZUKGHWOIPNE-CMPLNLGQSA-N 1 0 302.330 0.412 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000089741938 662526052 /nfs/dbraw/zinc/52/60/52/662526052.db2.gz HLTKMPXCJVYMGB-MNOVXSKESA-N 1 0 311.407 0.511 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000900605144 663260172 /nfs/dbraw/zinc/26/01/72/663260172.db2.gz VUVNNDIWJJLSSZ-HUUCEWRRSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900712321 663274548 /nfs/dbraw/zinc/27/45/48/663274548.db2.gz XQFVBQFIRSMEQX-CDGCEXEKSA-N 1 0 305.382 0.283 10 0 DCAERO Cc1nn(C)c(N2CCC2)c1NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913245678 664293552 /nfs/dbraw/zinc/29/35/52/664293552.db2.gz XDSUBRSWOAANFU-CHWSQXEVSA-N 1 0 319.409 0.740 10 0 DCAERO O=C(COCC(=O)N1CCCCCC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222577658 664382704 /nfs/dbraw/zinc/38/27/04/664382704.db2.gz CAPJKELZHLXKDI-OAHLLOKOSA-N 1 0 323.437 0.616 10 0 DCAERO O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000165318194 664408465 /nfs/dbraw/zinc/40/84/65/664408465.db2.gz CYSNTFVOJDZSGS-NOZJJQNGSA-N 1 0 312.370 0.774 10 0 DCAERO Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)n1 ZINC000168202744 664521095 /nfs/dbraw/zinc/52/10/95/664521095.db2.gz YFSBQHHOJHEVQQ-DZGCQCFKSA-N 1 0 309.389 0.835 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@]3(F)CC[NH2+]C3)C2)n1 ZINC000168202650 664521161 /nfs/dbraw/zinc/52/11/61/664521161.db2.gz YFSBQHHOJHEVQQ-UKRRQHHQSA-N 1 0 309.389 0.835 10 0 DCAERO CN(c1ccc(NC(=O)CNC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000060403478 664544195 /nfs/dbraw/zinc/54/41/95/664544195.db2.gz RIXMIBXFCYHMEJ-UHFFFAOYSA-N 1 0 319.409 0.824 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(=O)n(C)c1 ZINC000171787323 664612803 /nfs/dbraw/zinc/61/28/03/664612803.db2.gz FOTQGEMIIRUMHU-ZDUSSCGKSA-N 1 0 308.382 0.618 10 0 DCAERO COC(=O)c1ccc(CS(=O)(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000063171315 664626514 /nfs/dbraw/zinc/62/65/14/664626514.db2.gz YWJAJSYVOHJBRI-SNVBAGLBSA-N 1 0 300.380 0.630 10 0 DCAERO CCCN1C(=O)C(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1=O ZINC000153209158 664802311 /nfs/dbraw/zinc/80/23/11/664802311.db2.gz VUCNYZGAAKYNDU-RYUDHWBXSA-N 1 0 308.382 0.313 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356112538 665367191 /nfs/dbraw/zinc/36/71/91/665367191.db2.gz LQXSZFKWWRLNCK-LBPRGKRZSA-N 1 0 317.374 0.549 10 0 DCAERO CCC[C@@H](C(=O)NC[C@H](O)C(=O)OCc1ccccc1)[NH+](C)C ZINC000184202354 666189883 /nfs/dbraw/zinc/18/98/83/666189883.db2.gz LTVUMQGRWZELSK-GJZGRUSLSA-N 1 0 322.405 0.937 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700902117 666779185 /nfs/dbraw/zinc/77/91/85/666779185.db2.gz NILXMFOORSSWDP-OUAUKWLOSA-N 1 0 306.453 0.021 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000700954508 666781906 /nfs/dbraw/zinc/78/19/06/666781906.db2.gz GWNVHCDAUGCDEA-AAEUAGOBSA-N 1 0 303.428 0.140 10 0 DCAERO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702844647 667010243 /nfs/dbraw/zinc/01/02/43/667010243.db2.gz JSOJZWIWIDCDLX-NWDGAFQWSA-N 1 0 310.398 0.738 10 0 DCAERO COCCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709802410 667445627 /nfs/dbraw/zinc/44/56/27/667445627.db2.gz KLVBMMZYRAEVKF-RKDXNWHRSA-N 1 0 304.334 0.422 10 0 DCAERO COC[C@@]1(C(=O)N2CCS[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000710798818 667446227 /nfs/dbraw/zinc/44/62/27/667446227.db2.gz UJZHIHMZKFPNKB-TZMCWYRMSA-N 1 0 302.440 0.591 10 0 DCAERO Cc1nnc([C@H]2CCC[N@H+](CCS(=O)(=O)N(C)C)[C@H]2C)o1 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/nfs/dbraw/zinc/52/73/27/1157527327.db2.gz CQQLFNXHVUSCSP-UHFFFAOYSA-N 1 0 322.434 0.960 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251022920 1157804053 /nfs/dbraw/zinc/80/40/53/1157804053.db2.gz ZRXAELFMJGGFAM-NDBYEHHHSA-N 1 0 302.440 0.847 10 0 DCAERO CS(=O)(=O)CCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000038047067 1171448225 /nfs/dbraw/zinc/44/82/25/1171448225.db2.gz OSOZSLUZKBDYLP-UHFFFAOYSA-N 1 0 300.380 0.075 10 0 DCAERO CC(C)n1ncnc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000088589463 1175272099 /nfs/dbraw/zinc/27/20/99/1175272099.db2.gz DOJJLNIQAPMWBW-UHFFFAOYSA-N 1 0 301.416 0.373 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188224278 1187606477 /nfs/dbraw/zinc/60/64/77/1187606477.db2.gz VRQKGHQUQOEIEV-HZMBPMFUSA-N 1 0 315.377 0.730 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC000269032990 282137768 /nfs/dbraw/zinc/13/77/68/282137768.db2.gz NQJDJKNDOMBVGW-STQMWFEESA-N 1 0 307.398 0.759 10 0 DCAERO 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/nfs/dbraw/zinc/06/36/08/198063608.db2.gz DCTSJUZPEUYXJF-QWHCGFSZSA-N 1 0 320.393 0.888 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1ccccn1 ZINC000172511085 198107699 /nfs/dbraw/zinc/10/76/99/198107699.db2.gz ADNLIZGZGULRRI-ZDUSSCGKSA-N 1 0 304.394 0.802 10 0 DCAERO C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1cccnc1 ZINC000173916435 198268663 /nfs/dbraw/zinc/26/86/63/198268663.db2.gz YDTYRYDCRAJWFZ-CYBMUJFWSA-N 1 0 304.394 0.418 10 0 DCAERO CC(C)(NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(N)=O ZINC000073027488 191270433 /nfs/dbraw/zinc/27/04/33/191270433.db2.gz INXPGAUZRVPFKH-UHFFFAOYSA-N 1 0 318.421 0.579 10 0 DCAERO O=C(NCCCNC(=O)C1CC[NH2+]CC1)c1cccc(O)c1 ZINC000182104359 199387638 /nfs/dbraw/zinc/38/76/38/199387638.db2.gz ACEITTUYXYSSIM-UHFFFAOYSA-N 1 0 305.378 0.628 10 0 DCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000182110436 199388578 /nfs/dbraw/zinc/38/85/78/199388578.db2.gz IXRSJTTYPCNSPI-OCCSQVGLSA-N 1 0 308.378 0.968 10 0 DCAERO 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396076488 /nfs/dbraw/zinc/07/64/88/396076488.db2.gz GWNHETQGKVSZJO-ARFHVFGLSA-N 1 0 311.470 0.844 10 0 DCAERO CC(C)n1nnnc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000162055650 396078423 /nfs/dbraw/zinc/07/84/23/396078423.db2.gz RCUPLPCWEPVTJD-HNNXBMFYSA-N 1 0 321.473 0.856 10 0 DCAERO CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696199 396204991 /nfs/dbraw/zinc/20/49/91/396204991.db2.gz YDBQNSVSRXJICA-AWEZNQCLSA-N 1 0 313.423 0.192 10 0 DCAERO C[C@@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)NC(=O)C1CCCC1 ZINC000263225115 396206681 /nfs/dbraw/zinc/20/66/81/396206681.db2.gz MQHPLRDBUHZKGT-WCQYABFASA-N 1 0 321.425 0.883 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262514836 396150268 /nfs/dbraw/zinc/15/02/68/396150268.db2.gz KBDYWJIQVARQKS-GJZGRUSLSA-N 1 0 319.405 0.181 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262514832 396150290 /nfs/dbraw/zinc/15/02/90/396150290.db2.gz KBDYWJIQVARQKS-CABCVRRESA-N 1 0 319.405 0.181 10 0 DCAERO CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000176236394 396152369 /nfs/dbraw/zinc/15/23/69/396152369.db2.gz JWRZSYITOGIOLV-ZDUSSCGKSA-N 1 0 306.414 0.648 10 0 DCAERO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000176236377 396152526 /nfs/dbraw/zinc/15/25/26/396152526.db2.gz JWRZSYITOGIOLV-CYBMUJFWSA-N 1 0 306.414 0.648 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000176498962 396156329 /nfs/dbraw/zinc/15/63/29/396156329.db2.gz XPLXOUOQIKSNPA-AWEZNQCLSA-N 1 0 320.393 0.706 10 0 DCAERO CN(CC(=O)NC1CC1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262586242 396158477 /nfs/dbraw/zinc/15/84/77/396158477.db2.gz ZTGITFRASYMORJ-DETPVDSQSA-N 1 0 309.410 0.256 10 0 DCAERO COCC[NH2+]CC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262647249 396167405 /nfs/dbraw/zinc/16/74/05/396167405.db2.gz VLOJRNOIVFUFFZ-LBPRGKRZSA-N 1 0 308.382 0.889 10 0 DCAERO CNC(=O)c1ccc(NC2CC[NH+](CCCOC)CC2)nn1 ZINC000074746684 396171402 /nfs/dbraw/zinc/17/14/02/396171402.db2.gz INCOZKRMWYJLRD-UHFFFAOYSA-N 1 0 307.398 0.749 10 0 DCAERO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263286082 396211379 /nfs/dbraw/zinc/21/13/79/396211379.db2.gz UZCXCUPYGSAVMU-RQJHMYQMSA-N 1 0 315.242 0.263 10 0 DCAERO O=C(NCCc1cnc(C2CC2)nc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262820549 396185170 /nfs/dbraw/zinc/18/51/70/396185170.db2.gz WVYRRIVGPPGHNS-UHFFFAOYSA-N 1 0 312.377 0.695 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000178296092 396193059 /nfs/dbraw/zinc/19/30/59/396193059.db2.gz XYQJAGRXFUMWLL-CYBMUJFWSA-N 1 0 305.382 0.598 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181684250 396241433 /nfs/dbraw/zinc/24/14/33/396241433.db2.gz VPSVSECBWWBGJL-LLVKDONJSA-N 1 0 311.348 0.396 10 0 DCAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000182006675 396245001 /nfs/dbraw/zinc/24/50/01/396245001.db2.gz NXLDFHKKMRHUAT-NSHDSACASA-N 1 0 316.365 0.893 10 0 DCAERO COC(=O)CCN1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H](C)C1 ZINC000182122013 396247097 /nfs/dbraw/zinc/24/70/97/396247097.db2.gz YBWKLSKCKBSTPY-KGLIPLIRSA-N 1 0 316.442 0.732 10 0 DCAERO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000182401735 396250053 /nfs/dbraw/zinc/25/00/53/396250053.db2.gz PLCQPUWSDSBLER-WBVHZDCISA-N 1 0 324.421 0.401 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000183125104 396262319 /nfs/dbraw/zinc/26/23/19/396262319.db2.gz WRPKLRBCEGWDMK-YPMHNXCESA-N 1 0 320.393 0.169 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCn2ccnn2)C1 ZINC000183571845 396270881 /nfs/dbraw/zinc/27/08/81/396270881.db2.gz DIVJWCDFPUNRNS-CQSZACIVSA-N 1 0 324.429 0.324 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@@H]1CC ZINC000183620932 396272834 /nfs/dbraw/zinc/27/28/34/396272834.db2.gz YZAAXWHKGHNGHK-HNNXBMFYSA-N 1 0 308.426 0.922 10 0 DCAERO O=C(CC[N@@H+]1CCCN(c2ccccn2)CC1)N1CCOCC1 ZINC000183784308 396274509 /nfs/dbraw/zinc/27/45/09/396274509.db2.gz ASBFCYINEPXARV-UHFFFAOYSA-N 1 0 318.421 0.843 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000179171487 396223271 /nfs/dbraw/zinc/22/32/71/396223271.db2.gz YTQRGVRQOBVYNN-NXEZZACHSA-N 1 0 307.375 0.662 10 0 DCAERO CCC[C@@H](C(=O)N1CCN(c2cc(OC)ncn2)CC1)[NH+](C)C ZINC000184137952 396286434 /nfs/dbraw/zinc/28/64/34/396286434.db2.gz ICYVBSJEXSZGBF-ZDUSSCGKSA-N 1 0 321.425 0.864 10 0 DCAERO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)sc1C ZINC000184340306 396291725 /nfs/dbraw/zinc/29/17/25/396291725.db2.gz OSGBXIGQTBTRJM-UHFFFAOYSA-N 1 0 306.453 0.957 10 0 DCAERO CCN(CCO)CC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000184546834 396298803 /nfs/dbraw/zinc/29/88/03/396298803.db2.gz ASBNDGLZYIOXCX-UHFFFAOYSA-N 1 0 310.394 0.870 10 0 DCAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733939 396303872 /nfs/dbraw/zinc/30/38/72/396303872.db2.gz NVAWJHYOAVDFEX-BYNSBNAKSA-N 1 0 306.406 0.988 10 0 DCAERO CN(C)c1noc(CN2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000185248247 396323139 /nfs/dbraw/zinc/32/31/39/396323139.db2.gz HJRFDIOBWCXGNX-UHFFFAOYSA-N 1 0 309.414 0.680 10 0 DCAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185595176 396331102 /nfs/dbraw/zinc/33/11/02/396331102.db2.gz KXVLBTVDVVJZOY-NTZNESFSSA-N 1 0 306.362 0.818 10 0 DCAERO COCCCCS(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185936550 396337864 /nfs/dbraw/zinc/33/78/64/396337864.db2.gz CRNSJJHERIKMHR-AWEZNQCLSA-N 1 0 321.487 0.358 10 0 DCAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000185771414 396334743 /nfs/dbraw/zinc/33/47/43/396334743.db2.gz HUEXOAFMZVKVJS-BPUTZDHNSA-N 1 0 321.421 0.644 10 0 DCAERO CCOC(=O)C[C@@](C)([NH2+]C[C@H](O)CN1CCOCC1)C(C)C ZINC000186691810 396355600 /nfs/dbraw/zinc/35/56/00/396355600.db2.gz VVQVARQUZOFPOS-GOEBONIOSA-N 1 0 316.442 0.637 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[N@H+](CC)CCO ZINC000187357483 396367854 /nfs/dbraw/zinc/36/78/54/396367854.db2.gz OWZOEINEJCDXBA-LBPRGKRZSA-N 1 0 324.429 0.289 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000187371178 396368690 /nfs/dbraw/zinc/36/86/90/396368690.db2.gz DCDQTWWBJQFIHT-GFCCVEGCSA-N 1 0 324.429 0.289 10 0 DCAERO COCCC1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCCCC1 ZINC000187452865 396370015 /nfs/dbraw/zinc/37/00/15/396370015.db2.gz XGEXPDHQKNWCPH-CQSZACIVSA-N 1 0 323.437 0.616 10 0 DCAERO C[NH+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188275502 396381210 /nfs/dbraw/zinc/38/12/10/396381210.db2.gz PWUAXZGPHFIZDN-AWEZNQCLSA-N 1 0 322.384 0.787 10 0 DCAERO O=C(NC1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C1)C1CCC1 ZINC000188784518 396386579 /nfs/dbraw/zinc/38/65/79/396386579.db2.gz FYBODOFFHYZIOJ-UHFFFAOYSA-N 1 0 320.437 0.923 10 0 DCAERO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[NH+]2CCC1CC2 ZINC000188837064 396387546 /nfs/dbraw/zinc/38/75/46/396387546.db2.gz APQFGIDGFMXZGA-NSHDSACASA-N 1 0 303.366 0.069 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188860967 396387712 /nfs/dbraw/zinc/38/77/12/396387712.db2.gz OVQHUQYUSWQNCQ-UHFFFAOYSA-N 1 0 303.362 0.940 10 0 DCAERO O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189790002 396399436 /nfs/dbraw/zinc/39/94/36/396399436.db2.gz RPXJECKGIZXTKE-UHFFFAOYSA-N 1 0 315.373 0.867 10 0 DCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000191473213 396419681 /nfs/dbraw/zinc/41/96/81/396419681.db2.gz DEBUAFSBMIJBEY-UONOGXRCSA-N 1 0 310.442 0.884 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)C1 ZINC000187882718 396375934 /nfs/dbraw/zinc/37/59/34/396375934.db2.gz OOZGQAONJOBMEO-LSDHHAIUSA-N 1 0 305.378 0.418 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000193292964 396448128 /nfs/dbraw/zinc/44/81/28/396448128.db2.gz MLPBEWZIEQVXHY-OAHLLOKOSA-N 1 0 324.469 0.661 10 0 DCAERO C[NH+](C)CC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000371664504 396473625 /nfs/dbraw/zinc/47/36/25/396473625.db2.gz HWLYYLPEAPZXQE-UHFFFAOYSA-N 1 0 323.418 0.151 10 0 DCAERO O=S(=O)(Cc1ccc(F)cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000561292847 396638844 /nfs/dbraw/zinc/63/88/44/396638844.db2.gz LQUUHOPMVRHFRT-QWHCGFSZSA-N 1 0 300.355 0.328 10 0 DCAERO CC[C@@H](CO)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000293894975 396639662 /nfs/dbraw/zinc/63/96/62/396639662.db2.gz NDODOSFFHOWYRR-NWDGAFQWSA-N 1 0 306.362 0.346 10 0 DCAERO CNC(=O)c1cccnc1N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000301395419 396715912 /nfs/dbraw/zinc/71/59/12/396715912.db2.gz FDUBKHKWVAWPNY-ZDUSSCGKSA-N 1 0 320.437 0.970 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)no1 ZINC000303032158 396724272 /nfs/dbraw/zinc/72/42/72/396724272.db2.gz AKSXHRVNQBSBOR-KGLIPLIRSA-N 1 0 322.409 0.843 10 0 DCAERO C[C@@H](CN1CCCC1=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590343362 396760531 /nfs/dbraw/zinc/76/05/31/396760531.db2.gz DSUKXINGEIIYET-LBPRGKRZSA-N 1 0 322.413 0.577 10 0 DCAERO C[C@H](Cc1cccs1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000311986191 396761265 /nfs/dbraw/zinc/76/12/65/396761265.db2.gz NQCBCIBUPPODPN-MNOVXSKESA-N 1 0 304.437 0.587 10 0 DCAERO C[C@@H](CC[S@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610821117 396767264 /nfs/dbraw/zinc/76/72/64/396767264.db2.gz GEGSGBVUBDMDSG-MQJDWESPSA-N 1 0 315.443 0.723 10 0 DCAERO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000375785550 396818603 /nfs/dbraw/zinc/81/86/03/396818603.db2.gz BIVNPMNTCLLJDU-CYBMUJFWSA-N 1 0 300.424 0.879 10 0 DCAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC000328634720 396826327 /nfs/dbraw/zinc/82/63/27/396826327.db2.gz MYNKZFVQWAHTEB-UONOGXRCSA-N 1 0 309.410 0.922 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@@H+]([C@H]2CCCC[C@@H]2O)C[C@H]1O ZINC000328655992 396831095 /nfs/dbraw/zinc/83/10/95/396831095.db2.gz YXJMMLMBJKDFGB-LJISPDSOSA-N 1 0 324.425 0.549 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000634582139 396888395 /nfs/dbraw/zinc/88/83/95/396888395.db2.gz LJNCEEOORONMLO-GXTWGEPZSA-N 1 0 319.409 0.387 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332913583 396904658 /nfs/dbraw/zinc/90/46/58/396904658.db2.gz UELMIQDSEFONJS-RFQIPJPRSA-N 1 0 320.397 0.096 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000569886972 396921388 /nfs/dbraw/zinc/92/13/88/396921388.db2.gz MWMSBJQATZWZAF-UGFHNGPFSA-N 1 0 321.421 0.223 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000333875518 396934621 /nfs/dbraw/zinc/93/46/21/396934621.db2.gz VHMLXCYUUSCIHX-RDBSUJKOSA-N 1 0 324.425 0.160 10 0 DCAERO Cn1ncc(NCC2([NH3+])CCOCC2)c(Br)c1=O ZINC000630523745 397036753 /nfs/dbraw/zinc/03/67/53/397036753.db2.gz BOIDRUDKQGIJQC-UHFFFAOYSA-N 1 0 317.187 0.463 10 0 DCAERO CN1CCO[C@@H](C[N@H+](C)C[C@@H](O)COCc2ccccc2)C1 ZINC000591910955 397033015 /nfs/dbraw/zinc/03/30/15/397033015.db2.gz LGQDZUQXUAIDSD-IAGOWNOFSA-N 1 0 308.422 0.827 10 0 DCAERO COC(=O)c1coc(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000612580086 397099931 /nfs/dbraw/zinc/09/99/31/397099931.db2.gz HCULYEBVUZEPOU-UHFFFAOYSA-N 1 0 316.379 0.581 10 0 DCAERO O=C(c1ncccc1Br)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000572952690 397114698 /nfs/dbraw/zinc/11/46/98/397114698.db2.gz DWRWCIAJLYVSCD-VHSXEESVSA-N 1 0 312.167 0.657 10 0 DCAERO C[NH+](C)CCOC1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000601827705 397250134 /nfs/dbraw/zinc/25/01/34/397250134.db2.gz ABBIULYTYWRHBL-UHFFFAOYSA-N 1 0 317.393 0.912 10 0 DCAERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000379940706 397268090 /nfs/dbraw/zinc/26/80/90/397268090.db2.gz AWBMTFFZRNOEGU-IONNQARKSA-N 1 0 300.340 0.168 10 0 DCAERO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000381447137 397272380 /nfs/dbraw/zinc/27/23/80/397272380.db2.gz GFVFTHFGVFOAAQ-BDAKNGLRSA-N 1 0 306.409 0.104 10 0 DCAERO CCN1CCO[C@H](CN2CCN(Cc3n[nH]cc3C)CC2)C1 ZINC000365615579 397302022 /nfs/dbraw/zinc/30/20/22/397302022.db2.gz YMEDRIAEMFXSFN-HNNXBMFYSA-N 1 0 307.442 0.556 10 0 DCAERO C[C@@H](C(=O)N1CCC[C@@H]1CS(N)(=O)=O)[NH+]1CCCCCC1 ZINC000408271356 397352075 /nfs/dbraw/zinc/35/20/75/397352075.db2.gz WSJNXDQHRYLDRX-QWHCGFSZSA-N 1 0 317.455 0.530 10 0 DCAERO CC(C)n1cc(C[NH2+]CCCN2CCCS2(=O)=O)cn1 ZINC000602275109 397360657 /nfs/dbraw/zinc/36/06/57/397360657.db2.gz IZBLNXKTERRVGA-UHFFFAOYSA-N 1 0 300.428 0.979 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404150231 397328565 /nfs/dbraw/zinc/32/85/65/397328565.db2.gz LRWLAENLVDZROG-OLZOCXBDSA-N 1 0 305.444 0.416 10 0 DCAERO CC[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)OC ZINC000602437850 397401804 /nfs/dbraw/zinc/40/18/04/397401804.db2.gz AGFYFXQYHBINNR-ZIAGYGMSSA-N 1 0 307.394 0.514 10 0 DCAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370534291 397498423 /nfs/dbraw/zinc/49/84/23/397498423.db2.gz SDJAWWAUUVUXRC-LRDDRELGSA-N 1 0 311.426 0.478 10 0 DCAERO O=C(CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)NCc1ccco1 ZINC000604162330 397631855 /nfs/dbraw/zinc/63/18/55/397631855.db2.gz IMISFAPJHSYOEF-NSHDSACASA-N 1 0 306.366 0.432 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)CN2CCN(C)CC2)CC1 ZINC000608401173 397728468 /nfs/dbraw/zinc/72/84/68/397728468.db2.gz CQAMNVPIUQMZLF-UHFFFAOYSA-N 1 0 310.486 0.814 10 0 DCAERO CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000606580112 397684076 /nfs/dbraw/zinc/68/40/76/397684076.db2.gz ANSHLADLPCCJAN-CYBMUJFWSA-N 1 0 317.349 0.703 10 0 DCAERO CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000262301176 286585645 /nfs/dbraw/zinc/58/56/45/286585645.db2.gz ZZYXTBBWVBLVRC-ZIAGYGMSSA-N 1 0 322.430 0.826 10 0 DCAERO O=C(Cc1nc2ncccn2n1)N1CCC([NH+]2CCCC2)CC1 ZINC000058907290 158027359 /nfs/dbraw/zinc/02/73/59/158027359.db2.gz ONIRUDLMDGAYKE-UHFFFAOYSA-N 1 0 314.393 0.754 10 0 DCAERO O=C(Cc1nc2ncccn2n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604430 158029027 /nfs/dbraw/zinc/02/90/27/158029027.db2.gz NJIZMBHNPNJIQA-UHFFFAOYSA-N 1 0 300.366 0.364 10 0 DCAERO CN(C)c1nc(N)nc(CN2CCC([NH+]3CCCC3)CC2)n1 ZINC000066533118 158036580 /nfs/dbraw/zinc/03/65/80/158036580.db2.gz ISPVFHZGBVPVBR-UHFFFAOYSA-N 1 0 305.430 0.580 10 0 DCAERO C[NH+]1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000074707381 158059954 /nfs/dbraw/zinc/05/99/54/158059954.db2.gz NOSAWMBDHQLWIC-UHFFFAOYSA-N 1 0 311.407 0.292 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000077793221 158070206 /nfs/dbraw/zinc/07/02/06/158070206.db2.gz OCIXIQUATQUTTN-ZIAGYGMSSA-N 1 0 300.447 0.737 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000086468499 158092031 /nfs/dbraw/zinc/09/20/31/158092031.db2.gz XIUKIQYADINJOM-GHMZBOCLSA-N 1 0 311.407 0.417 10 0 DCAERO C[C@H]1C[N@H+](C)CCN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939251 158100424 /nfs/dbraw/zinc/10/04/24/158100424.db2.gz CYMLKVMZHGMOIG-LBPRGKRZSA-N 1 0 313.423 0.349 10 0 DCAERO COCCCOCC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000091102164 158107004 /nfs/dbraw/zinc/10/70/04/158107004.db2.gz DJZCHRSHFILLJY-AWEZNQCLSA-N 1 0 322.471 0.643 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCCC(=O)OC ZINC000092625863 158115389 /nfs/dbraw/zinc/11/53/89/158115389.db2.gz POYLTCIARWZULJ-GFCCVEGCSA-N 1 0 306.428 0.686 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105918612 158132210 /nfs/dbraw/zinc/13/22/10/158132210.db2.gz CZUXYWXEIANZCK-HNNXBMFYSA-N 1 0 320.437 0.970 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@@H](C)O)CC2)C1 ZINC000111286046 158140496 /nfs/dbraw/zinc/14/04/96/158140496.db2.gz KMRRUDRPJQWXSX-IUODEOHRSA-N 1 0 311.426 0.206 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112748760 158143552 /nfs/dbraw/zinc/14/35/52/158143552.db2.gz SDFOHTVCKFXCKG-ZDUSSCGKSA-N 1 0 306.414 0.624 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000112741782 158143750 /nfs/dbraw/zinc/14/37/50/158143750.db2.gz CXPUQXCPQQEDOO-LBPRGKRZSA-N 1 0 304.398 0.519 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1C(=O)CCC1=O ZINC000113617896 158148757 /nfs/dbraw/zinc/14/87/57/158148757.db2.gz JECUAHLLEMPPCG-CHWSQXEVSA-N 1 0 322.409 0.404 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCOCC1 ZINC000113576570 158149360 /nfs/dbraw/zinc/14/93/60/158149360.db2.gz UFMKLOZQKUCBRY-LSDHHAIUSA-N 1 0 310.442 0.587 10 0 DCAERO CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1=O ZINC000114837352 158157734 /nfs/dbraw/zinc/15/77/34/158157734.db2.gz JGAQNMOLZGIOKK-ZIAGYGMSSA-N 1 0 308.426 0.875 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCO1 ZINC000116791989 158167071 /nfs/dbraw/zinc/16/70/71/158167071.db2.gz IOOYMANOZRRYJT-ZDUSSCGKSA-N 1 0 313.442 0.718 10 0 DCAERO CN(C(=O)CN1CC[C@H](NS(C)(=O)=O)C1)C1CCCCC1 ZINC000116889142 158167520 /nfs/dbraw/zinc/16/75/20/158167520.db2.gz FERMDJRNRLUXOU-LBPRGKRZSA-N 1 0 317.455 0.401 10 0 DCAERO Cc1cc(C)n(CCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000117024562 158168223 /nfs/dbraw/zinc/16/82/23/158168223.db2.gz WSIPFVJBZFCMIF-HNNXBMFYSA-N 1 0 323.441 0.862 10 0 DCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117299242 158170266 /nfs/dbraw/zinc/17/02/66/158170266.db2.gz WRULQMJCSQSRCV-AWEZNQCLSA-N 1 0 313.442 0.862 10 0 DCAERO Cn1ccnc1C[C@@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000120236154 158195250 /nfs/dbraw/zinc/19/52/50/158195250.db2.gz AOTJXWNAHIIZMB-LBPRGKRZSA-N 1 0 302.382 0.952 10 0 DCAERO CCOCCOc1ccc(S(=O)(=O)NCCC[NH3+])cc1 ZINC000122703198 158222858 /nfs/dbraw/zinc/22/28/58/158222858.db2.gz WUPRKRCHZVOISQ-UHFFFAOYSA-N 1 0 302.396 0.729 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCC(C)(C)CO)CCO1 ZINC000122687440 158223348 /nfs/dbraw/zinc/22/33/48/158223348.db2.gz GEPFKAAPCRCZOG-CYBMUJFWSA-N 1 0 301.431 0.757 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122953716 158225198 /nfs/dbraw/zinc/22/51/98/158225198.db2.gz UHMWDWDQNRJCIM-TUAOUCFPSA-N 1 0 300.403 0.001 10 0 DCAERO O=C(NCCCC[NH+]1CCCC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000124126750 158238142 /nfs/dbraw/zinc/23/81/42/158238142.db2.gz ACVRBLVQLDJBGR-ZDUSSCGKSA-N 1 0 309.414 0.281 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000124290726 158239808 /nfs/dbraw/zinc/23/98/08/158239808.db2.gz KAJCNIJNZIFNIO-BBRMVZONSA-N 1 0 323.437 0.709 10 0 DCAERO C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000126932830 158269112 /nfs/dbraw/zinc/26/91/12/158269112.db2.gz ZXLCZCGFWDQJPM-WDEREUQCSA-N 1 0 303.428 0.298 10 0 DCAERO O=C(C[C@@H]1NC(=O)NC1=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127340858 158272484 /nfs/dbraw/zinc/27/24/84/158272484.db2.gz NTHBVECOKQGGIO-ZDUSSCGKSA-N 1 0 322.409 0.498 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000129222581 158286223 /nfs/dbraw/zinc/28/62/23/158286223.db2.gz RZHUFMCJEBKLJQ-FRRDWIJNSA-N 1 0 305.444 0.320 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000134814633 158331314 /nfs/dbraw/zinc/33/13/14/158331314.db2.gz ZVAWQZWBENIPPA-NEPJUHHUSA-N 1 0 307.460 0.839 10 0 DCAERO CC(C)[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(N)=O ZINC000134897839 158332861 /nfs/dbraw/zinc/33/28/61/158332861.db2.gz FMLXKTHVJRGIDM-GJZGRUSLSA-N 1 0 320.437 0.968 10 0 DCAERO CC(=O)NCCC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135684936 158339583 /nfs/dbraw/zinc/33/95/83/158339583.db2.gz HUKQUYCBPUTWSZ-CYBMUJFWSA-N 1 0 303.428 0.013 10 0 DCAERO CCS(=O)(=O)c1ccc(CC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000137367472 158344859 /nfs/dbraw/zinc/34/48/59/158344859.db2.gz KNIGYHQAIFCZCJ-AWEZNQCLSA-N 1 0 310.419 0.876 10 0 DCAERO CCONC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000166529341 158366099 /nfs/dbraw/zinc/36/60/99/158366099.db2.gz FQWRRFGGVILSBN-AWEZNQCLSA-N 1 0 314.430 0.374 10 0 DCAERO O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000167975481 158370498 /nfs/dbraw/zinc/37/04/98/158370498.db2.gz XAXNQODQLGBEDQ-DOTOQJQBSA-N 1 0 321.396 0.566 10 0 DCAERO CN1Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2C1 ZINC000170843506 158376926 /nfs/dbraw/zinc/37/69/26/158376926.db2.gz UMNLAFQQESANCF-HNNXBMFYSA-N 1 0 316.405 0.733 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000170860040 158377024 /nfs/dbraw/zinc/37/70/24/158377024.db2.gz NZTBAOYSBWYKQS-NSHDSACASA-N 1 0 311.332 0.857 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171132847 158380821 /nfs/dbraw/zinc/38/08/21/158380821.db2.gz UMQKSDYYQOMMGI-CABCVRRESA-N 1 0 324.469 0.386 10 0 DCAERO CC[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1CCOC ZINC000171573590 158384571 /nfs/dbraw/zinc/38/45/71/158384571.db2.gz LVLQLIJYYYESJB-LBPRGKRZSA-N 1 0 300.403 0.004 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171762483 158386414 /nfs/dbraw/zinc/38/64/14/158386414.db2.gz PAZQHNGOJJQIPG-CABCVRRESA-N 1 0 307.394 0.522 10 0 DCAERO Cc1nc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)no1 ZINC000173554477 158407039 /nfs/dbraw/zinc/40/70/39/158407039.db2.gz AUUHOJZXDAERBG-ZDUSSCGKSA-N 1 0 323.397 0.632 10 0 DCAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)OC)nn2)C[C@@H]1C ZINC000174735794 158420884 /nfs/dbraw/zinc/42/08/84/158420884.db2.gz FKUBNPYUFXMYLQ-LBPRGKRZSA-N 1 0 308.382 0.810 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000189956078 158556567 /nfs/dbraw/zinc/55/65/67/158556567.db2.gz LSDOZLXJBFKYAL-UHFFFAOYSA-N 1 0 308.426 0.779 10 0 DCAERO CC(=O)N[C@@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000195271748 158608411 /nfs/dbraw/zinc/60/84/11/158608411.db2.gz MEPMCVJTJAGRJD-XHSDSOJGSA-N 1 0 301.390 0.932 10 0 DCAERO CC[NH+]1CCN(CC(=O)NCCOc2ccc(OC)cc2)CC1 ZINC000244472681 158644930 /nfs/dbraw/zinc/64/49/30/158644930.db2.gz ZHJWICKGFHDGMD-UHFFFAOYSA-N 1 0 321.421 0.828 10 0 DCAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000261849668 158745020 /nfs/dbraw/zinc/74/50/20/158745020.db2.gz PZQACVAXRCHXTI-KBUPBQIOSA-N 1 0 323.437 0.742 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1nc2ncccn2n1 ZINC000261926999 158754335 /nfs/dbraw/zinc/75/43/35/158754335.db2.gz VUKZQMRXUJLNBB-QOARYFPJSA-N 1 0 314.393 0.689 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(-n2cncn2)cc1 ZINC000262178090 158781879 /nfs/dbraw/zinc/78/18/79/158781879.db2.gz KSYQDMCVXADJIG-GXTWGEPZSA-N 1 0 315.377 0.823 10 0 DCAERO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CC[NH2+]C3)cc21 ZINC000262311118 158796312 /nfs/dbraw/zinc/79/63/12/158796312.db2.gz PUGFPOJOSMOVEV-GFCCVEGCSA-N 1 0 323.418 0.483 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1(c2cccc(F)c2)CCOCC1 ZINC000262331857 158799163 /nfs/dbraw/zinc/79/91/63/158799163.db2.gz SGMYZPUXAGEXTM-WFASDCNBSA-N 1 0 322.380 0.570 10 0 DCAERO CCN(Cc1cnn(C)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262363541 158804086 /nfs/dbraw/zinc/80/40/86/158804086.db2.gz VJIUZUQLUWRXDI-CABCVRRESA-N 1 0 316.409 0.505 10 0 DCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000323772125 159013328 /nfs/dbraw/zinc/01/33/28/159013328.db2.gz XZSHABNCCPPGTD-STQMWFEESA-N 1 0 318.373 0.754 10 0 DCAERO O=C1[C@H]([NH+]2CCC(c3ccnn3CCO)CC2)CCN1C1CC1 ZINC000328601282 159014731 /nfs/dbraw/zinc/01/47/31/159014731.db2.gz FFIQERHQIFMPCE-MRXNPFEDSA-N 1 0 318.421 0.818 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)n1cccn1 ZINC000329146758 159067480 /nfs/dbraw/zinc/06/74/80/159067480.db2.gz OOWLAOVCSJIHCD-KBPBESRZSA-N 1 0 319.409 0.209 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000329422421 159091805 /nfs/dbraw/zinc/09/18/05/159091805.db2.gz FQQFSQVUCBVRGU-CMPLNLGQSA-N 1 0 309.439 0.848 10 0 DCAERO O=C([C@H]1CCCN(Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478053 159096118 /nfs/dbraw/zinc/09/61/18/159096118.db2.gz QBFSXYZIRHKHNC-LBPRGKRZSA-N 1 0 304.398 0.842 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nn1 ZINC000329521834 159099068 /nfs/dbraw/zinc/09/90/68/159099068.db2.gz PBZXDHLSZOWTOH-BHQQPIICSA-N 1 0 323.441 0.683 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000330319134 159159935 /nfs/dbraw/zinc/15/99/35/159159935.db2.gz RDZJLQRYCROIPQ-ZJUUUORDSA-N 1 0 301.350 0.943 10 0 DCAERO CNC(=O)[C@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332745191 159212431 /nfs/dbraw/zinc/21/24/31/159212431.db2.gz GGSYQIXEOUBFKU-WTUNAVPPSA-N 1 0 308.426 0.922 10 0 DCAERO O=S(=O)(c1c(F)cccc1F)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366977215 159301884 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416170510 /nfs/dbraw/zinc/17/05/10/416170510.db2.gz ZLTTTYGYKZVIPI-CHWSQXEVSA-N 1 0 311.451 0.946 10 0 DCAERO CCc1noc([C@@H](C)N2CCN(C(=O)CC(C)(C)[NH3+])CC2)n1 ZINC000178778602 416172282 /nfs/dbraw/zinc/17/22/82/416172282.db2.gz PVQLVMJZYKCOSA-LLVKDONJSA-N 1 0 309.414 0.965 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178783983 416172413 /nfs/dbraw/zinc/17/24/13/416172413.db2.gz WORDRRSBSUGAOW-NSHDSACASA-N 1 0 316.810 0.982 10 0 DCAERO C[NH2+]CC(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000178853943 416173702 /nfs/dbraw/zinc/17/37/02/416173702.db2.gz FMBZBSYEKXYMOY-LBPRGKRZSA-N 1 0 307.394 0.866 10 0 DCAERO COc1cccc(OC)c1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000179025174 416180573 /nfs/dbraw/zinc/18/05/73/416180573.db2.gz IVACVOMVQGXVIE-GFCCVEGCSA-N 1 0 305.378 0.433 10 0 DCAERO COC(=O)[C@H]1C[C@H](OC)CN1CCCNC(=O)C(F)(F)F ZINC000180648194 416200090 /nfs/dbraw/zinc/20/00/90/416200090.db2.gz QNXHDKFZKIOSRN-DTWKUNHWSA-N 1 0 312.288 0.317 10 0 DCAERO 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/nfs/dbraw/zinc/33/18/42/416331842.db2.gz DUGSUXUGXJSPCF-UKRRQHHQSA-N 1 0 310.442 0.979 10 0 DCAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2 ZINC000246437512 416331860 /nfs/dbraw/zinc/33/18/60/416331860.db2.gz DCTBBDMLFUPFSL-MELADBBJSA-N 1 0 319.467 0.919 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000533126397 416478077 /nfs/dbraw/zinc/47/80/77/416478077.db2.gz ACMDQNVTXKTORI-LBPRGKRZSA-N 1 0 319.471 0.841 10 0 DCAERO Cc1cc(C[C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)[nH]n1 ZINC000458556221 416481885 /nfs/dbraw/zinc/48/18/85/416481885.db2.gz QDQOIPBJELTAEC-IUODEOHRSA-N 1 0 323.441 0.795 10 0 DCAERO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000459100410 416523860 /nfs/dbraw/zinc/52/38/60/416523860.db2.gz KDSHTZKFKHZCKT-INIZCTEOSA-N 1 0 322.453 0.729 10 0 DCAERO CCN(CC)C(=O)CCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000361966324 416536509 /nfs/dbraw/zinc/53/65/09/416536509.db2.gz LNZZIZHCQTUZMC-UHFFFAOYSA-N 1 0 312.458 0.341 10 0 DCAERO 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324.421 0.899 10 0 DCAERO C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCCC[NH2+]1 ZINC000638680531 417534528 /nfs/dbraw/zinc/53/45/28/417534528.db2.gz DHNSRZSRPPZYBH-DYEKYZERSA-N 1 0 300.424 0.697 10 0 DCAERO C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000638624929 417518654 /nfs/dbraw/zinc/51/86/54/417518654.db2.gz ZMRRAEDGEPPKHX-FNCVBFRFSA-N 1 0 314.329 0.076 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+]CC[C@@H]4CCOC4)C3)nn12 ZINC000628424977 417620105 /nfs/dbraw/zinc/62/01/05/417620105.db2.gz XLFZQRUWJDHQQN-OLZOCXBDSA-N 1 0 302.382 0.719 10 0 DCAERO OCC[C@@H]1CSCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532098135 417660979 /nfs/dbraw/zinc/66/09/79/417660979.db2.gz WWWAMWNLPOZKCG-MCIONIFRSA-N 1 0 305.440 0.343 10 0 DCAERO O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639740467 417734027 /nfs/dbraw/zinc/73/40/27/417734027.db2.gz DINGRAQOPLPKOA-IACUBPJLSA-N 1 0 322.340 0.075 10 0 DCAERO C[C@]1(C(=O)NCCC2(CS(C)(=O)=O)CC2)CCCC[NH2+]1 ZINC000662615989 417823361 /nfs/dbraw/zinc/82/33/61/417823361.db2.gz DLJXNSHBRZJGJH-CYBMUJFWSA-N 1 0 302.440 0.850 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000659336264 418083278 /nfs/dbraw/zinc/08/32/78/418083278.db2.gz MIIGLGPLWHSTOG-NWDGAFQWSA-N 1 0 302.440 0.706 10 0 DCAERO CC[C@H](C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)[NH+](C)C ZINC000125925360 287477375 /nfs/dbraw/zinc/47/73/75/287477375.db2.gz OXUQAHOYQCREDT-QWHCGFSZSA-N 1 0 317.455 0.353 10 0 DCAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000028917736 261105120 /nfs/dbraw/zinc/10/51/20/261105120.db2.gz DLROKEGFWNEKIW-CXAGYDPISA-N 1 0 321.421 0.989 10 0 DCAERO CC[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1CC(F)F ZINC000179561174 261113000 /nfs/dbraw/zinc/11/30/00/261113000.db2.gz WHUWCNMZNVYDCY-STQMWFEESA-N 1 0 302.369 0.905 10 0 DCAERO C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCN1CCO ZINC000187254966 261122791 /nfs/dbraw/zinc/12/27/91/261122791.db2.gz MXEZJFRETBBBCY-AWEZNQCLSA-N 1 0 305.422 0.887 10 0 DCAERO CC[C@H]1CN(C(=O)NCCOCC(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000190264372 261134590 /nfs/dbraw/zinc/13/45/90/261134590.db2.gz IEUPPLIEIMBBOQ-NEPJUHHUSA-N 1 0 323.384 0.755 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCn1nnc2ccccc2c1=O ZINC000194720711 261147479 /nfs/dbraw/zinc/14/74/79/261147479.db2.gz NMBVVNSXZGPZHG-LBPRGKRZSA-N 1 0 315.377 0.392 10 0 DCAERO C[C@H]1C[NH+](CCCNC(=O)NCCc2cn[nH]c2)C[C@H](C)O1 ZINC000357664631 261568325 /nfs/dbraw/zinc/56/83/25/261568325.db2.gz LCWUOUGCCUBKHX-STQMWFEESA-N 1 0 309.414 0.751 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC23CCOCC3)C1 ZINC000363108335 262099348 /nfs/dbraw/zinc/09/93/48/262099348.db2.gz RQVJUUNAISCJOU-HNNXBMFYSA-N 1 0 323.437 0.759 10 0 DCAERO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000358560447 271059033 /nfs/dbraw/zinc/05/90/33/271059033.db2.gz LXNSBCOWSLDITE-KBPBESRZSA-N 1 0 311.426 0.329 10 0 DCAERO COCCC1(C)CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000358663134 271064637 /nfs/dbraw/zinc/06/46/37/271064637.db2.gz 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/nfs/dbraw/zinc/13/40/68/288134068.db2.gz YVVDAEBAIQZJCW-VXGBXAGGSA-N 1 0 304.394 0.891 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000261616820 279620037 /nfs/dbraw/zinc/62/00/37/279620037.db2.gz GZVLFHYCHFNCMB-HXFVIYLFSA-N 1 0 300.424 0.443 10 0 DCAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000185472607 279685964 /nfs/dbraw/zinc/68/59/64/279685964.db2.gz AAVGTOMEQYPYIL-NWDGAFQWSA-N 1 0 322.409 0.627 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000252691050 279874729 /nfs/dbraw/zinc/87/47/29/279874729.db2.gz WTIAQBZYIJFWJZ-RVMXOQNASA-N 1 0 303.428 0.167 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1cnn(C)c1 ZINC000548827442 288180219 /nfs/dbraw/zinc/18/02/19/288180219.db2.gz FTNCMGLRJMWEND-CYBMUJFWSA-N 1 0 322.409 0.511 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC000551987769 288255502 /nfs/dbraw/zinc/25/55/02/288255502.db2.gz CTCDEYFLEFBEDL-YUTCNCBUSA-N 1 0 304.394 0.761 10 0 DCAERO C[C@@H](CNC(=O)[C@@](C)(O)Cn1ccccc1=O)[NH+]1CCCC1 ZINC000555295646 288348403 /nfs/dbraw/zinc/34/84/03/288348403.db2.gz RZMPBBBJZPUARN-BBRMVZONSA-N 1 0 307.394 0.200 10 0 DCAERO CN(C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333536326 281794197 /nfs/dbraw/zinc/79/41/97/281794197.db2.gz IQCKURMHOOSTPT-OLMNGRFOSA-N 1 0 301.390 0.689 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000193212912 282049988 /nfs/dbraw/zinc/04/99/88/282049988.db2.gz CIQUECLELRISHX-WDEREUQCSA-N 1 0 321.343 0.996 10 0 DCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000157294858 289014309 /nfs/dbraw/zinc/01/43/09/289014309.db2.gz DSRHHRUCKJTBOP-CABCVRRESA-N 1 0 303.406 0.944 10 0 DCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CCO2)c1 ZINC000246186849 293003084 /nfs/dbraw/zinc/00/30/84/293003084.db2.gz CSMNXDRLKIDFFE-KFWWJZLASA-N 1 0 306.410 0.936 10 0 DCAERO C[C@@H]1CN(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCO1 ZINC000192748535 297001572 /nfs/dbraw/zinc/00/15/72/297001572.db2.gz JETDDCWOUBHHDU-IAGOWNOFSA-N 1 0 311.470 0.894 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261572228 294534897 /nfs/dbraw/zinc/53/48/97/294534897.db2.gz AELRZWDILHMUKG-XKSSXDPKSA-N 1 0 304.803 0.431 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000262870137 300325017 /nfs/dbraw/zinc/32/50/17/300325017.db2.gz UYVWFJFBCRNLFR-QWHCGFSZSA-N 1 0 317.455 0.306 10 0 DCAERO Cc1cc(N2CCC[C@@H](N[C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333318630 301335647 /nfs/dbraw/zinc/33/56/47/301335647.db2.gz UBFWFYNVKCIYRA-MELADBBJSA-N 1 0 305.426 0.954 10 0 DCAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333742560 303421764 /nfs/dbraw/zinc/42/17/64/303421764.db2.gz IZRZYHJSKKYCKG-FVCCEPFGSA-N 1 0 308.386 0.035 10 0 DCAERO O=C(NCC[N@@H+]1CCCOCC1)c1cccc(-n2cncn2)c1 ZINC000189473549 333090128 /nfs/dbraw/zinc/09/01/28/333090128.db2.gz PUPSTSYBGICDPT-UHFFFAOYSA-N 1 0 315.377 0.719 10 0 DCAERO 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/nfs/dbraw/zinc/74/05/38/521740538.db2.gz FZIFEWAKHHEUEV-RQJABVFESA-N 1 0 308.426 0.827 10 0 DCAERO C[NH2+]CCNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC000237387814 522006615 /nfs/dbraw/zinc/00/66/15/522006615.db2.gz FCJFTFZIPONWAC-NRFANRHFSA-N 1 0 312.391 0.291 10 0 DCAERO COc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)ccc1F ZINC000190800115 522897525 /nfs/dbraw/zinc/89/75/25/522897525.db2.gz BILSDLQROVDCJE-ZDUSSCGKSA-N 1 0 320.386 0.425 10 0 DCAERO C[NH+]1CCN(c2cc(CNS(=O)(=O)CC3CC3)ccn2)CC1 ZINC000267029783 523923214 /nfs/dbraw/zinc/92/32/14/523923214.db2.gz AFPBSNLDXFYGJC-UHFFFAOYSA-N 1 0 324.450 0.663 10 0 DCAERO COc1ccnc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1OC ZINC000190523160 524829661 /nfs/dbraw/zinc/82/96/61/524829661.db2.gz GWBMOGNUBMGYKB-QWHCGFSZSA-N 1 0 309.410 0.986 10 0 DCAERO COc1ncnc(OC)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247502000 525083316 /nfs/dbraw/zinc/08/33/16/525083316.db2.gz XQXYWUQVFWTQTD-WDEREUQCSA-N 1 0 308.382 0.952 10 0 DCAERO 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/nfs/dbraw/zinc/97/70/57/526977057.db2.gz OAOLUUUCYQWNJD-KGLIPLIRSA-N 1 0 324.425 0.289 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000237949551 527367042 /nfs/dbraw/zinc/36/70/42/527367042.db2.gz YXTQARBZIHRBQU-VXGBXAGGSA-N 1 0 316.361 0.804 10 0 DCAERO Nc1ncnc2c1ncn2CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266972670 527576422 /nfs/dbraw/zinc/57/64/22/527576422.db2.gz MOINKLHQQZQFMZ-WDEREUQCSA-N 1 0 315.381 0.152 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1ccncc1OC ZINC000187515947 528541017 /nfs/dbraw/zinc/54/10/17/528541017.db2.gz YEGAWOOIIDWDFE-GFCCVEGCSA-N 1 0 310.398 0.765 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000094646848 545727653 /nfs/dbraw/zinc/72/76/53/545727653.db2.gz TWNNRFQLHZPDLF-GXFFZTMASA-N 1 0 311.407 0.338 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000154816790 545839806 /nfs/dbraw/zinc/83/98/06/545839806.db2.gz JNGGEKPWPLXVJS-NEPJUHHUSA-N 1 0 319.409 0.973 10 0 DCAERO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CCO2)n1 ZINC000168262381 545879341 /nfs/dbraw/zinc/87/93/41/545879341.db2.gz QJTGHVQQHHLDEX-ZNMIVQPWSA-N 1 0 306.410 0.855 10 0 DCAERO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)CN2CCCC2=O)cc1 ZINC000182393925 545905399 /nfs/dbraw/zinc/90/53/99/545905399.db2.gz MUTBSSLINFIRTB-GDBMZVCRSA-N 1 0 322.405 0.692 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)C(C)C ZINC000183661286 545908300 /nfs/dbraw/zinc/90/83/00/545908300.db2.gz MBMLHJPFRDUBLQ-MRXNPFEDSA-N 1 0 303.406 0.932 10 0 DCAERO Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1S(N)(=O)=O ZINC000188864438 545918030 /nfs/dbraw/zinc/91/80/30/545918030.db2.gz OQFXHMFCEUCTQD-UHFFFAOYSA-N 1 0 323.418 0.563 10 0 DCAERO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245942891 545962484 /nfs/dbraw/zinc/96/24/84/545962484.db2.gz VODXAEMIAUDUGV-ZJUUUORDSA-N 1 0 322.331 0.543 10 0 DCAERO CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)[C@H]1CC[NH2+]C1 ZINC000246741591 545966254 /nfs/dbraw/zinc/96/62/54/545966254.db2.gz GUKYVUQFSVVEGM-GUTXKFCHSA-N 1 0 302.378 0.421 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCn1ccnn1 ZINC000248510134 545969004 /nfs/dbraw/zinc/96/90/04/545969004.db2.gz ZPUDENWDXTUXDH-KBPBESRZSA-N 1 0 306.414 0.936 10 0 DCAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(OC)c1OC ZINC000262109053 545979263 /nfs/dbraw/zinc/97/92/63/545979263.db2.gz FERNJHCCJXOZEU-MWLCHTKSSA-N 1 0 310.350 0.023 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cc1F ZINC000262111195 545979423 /nfs/dbraw/zinc/97/94/23/545979423.db2.gz FIVIOQRKBKAYHI-HQJQHLMTSA-N 1 0 317.158 0.898 10 0 DCAERO CCOc1cccc2c1OCC(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)=C2 ZINC000262115793 545979392 /nfs/dbraw/zinc/97/93/92/545979392.db2.gz FQCGMXAPDBGNLN-UONOGXRCSA-N 1 0 318.373 0.558 10 0 DCAERO CCOCCOc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262154301 545979995 /nfs/dbraw/zinc/97/99/95/545979995.db2.gz HYOKBBNFQSHBNV-GXTWGEPZSA-N 1 0 308.378 0.412 10 0 DCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000262148490 545980405 /nfs/dbraw/zinc/98/04/05/545980405.db2.gz HPKZBWRGZMCSBQ-GHMZBOCLSA-N 1 0 310.350 0.023 10 0 DCAERO COc1ccc2c(CC(=O)NC[C@@H]3C[NH2+]C[C@H]3O)coc2c1 ZINC000262230511 545980964 /nfs/dbraw/zinc/98/09/64/545980964.db2.gz KGJJCYWWFOTEOX-SMDDNHRTSA-N 1 0 304.346 0.680 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nnn1-c1ccc(C)cc1 ZINC000262296799 545982459 /nfs/dbraw/zinc/98/24/59/545982459.db2.gz PDRUKKGORLSYEA-GXTWGEPZSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262294638 545983009 /nfs/dbraw/zinc/98/30/09/545983009.db2.gz OYHAXBOKWSLORP-STQMWFEESA-N 1 0 301.346 0.960 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)c(F)c1 ZINC000262343429 545983344 /nfs/dbraw/zinc/98/33/44/545983344.db2.gz TXPJCCAEGNAAIY-GZMMTYOYSA-N 1 0 317.158 0.898 10 0 DCAERO CC(=O)N[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1cccs1 ZINC000262326303 545983503 /nfs/dbraw/zinc/98/35/03/545983503.db2.gz RUNGYLLVMAJBOS-IJLUTSLNSA-N 1 0 311.407 0.012 10 0 DCAERO O=C(CSc1ccc(F)c(F)c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262357752 545984547 /nfs/dbraw/zinc/98/45/47/545984547.db2.gz UWIGCCXCCLYMPC-UFBFGSQYSA-N 1 0 302.346 0.753 10 0 DCAERO COc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000262356561 545984658 /nfs/dbraw/zinc/98/46/58/545984658.db2.gz UUUYIRYHSPTDMH-SMDDNHRTSA-N 1 0 324.352 0.494 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(CN2CCCC2=O)cc1 ZINC000262362096 545984667 /nfs/dbraw/zinc/98/46/67/545984667.db2.gz VHAAHVWKGGGCJJ-HUUCEWRRSA-N 1 0 317.389 0.119 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc2c([nH]c1=O)CCCCC2 ZINC000262368408 545984692 /nfs/dbraw/zinc/98/46/92/545984692.db2.gz VXSNPGPGFOEHNZ-FZMZJTMJSA-N 1 0 305.378 0.366 10 0 DCAERO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333348991 546078812 /nfs/dbraw/zinc/07/88/12/546078812.db2.gz RDNDDUKVKUHMFH-SNPRPXQTSA-N 1 0 305.378 0.987 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333563472 546085030 /nfs/dbraw/zinc/08/50/30/546085030.db2.gz LHRSUFMWSOAQKN-DEQVHRJGSA-N 1 0 307.398 0.690 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1N1CCOCC1 ZINC000333758253 546091036 /nfs/dbraw/zinc/09/10/36/546091036.db2.gz ADGHNXRFPCSMFI-KLHDSHLOSA-N 1 0 324.469 0.879 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000342016821 546116675 /nfs/dbraw/zinc/11/66/75/546116675.db2.gz KJFFWKVWFNDYAT-OAHLLOKOSA-N 1 0 311.426 0.304 10 0 DCAERO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+][C@@H](C)Cn3cccn3)C2)n[nH]1 ZINC000888099400 661177956 /nfs/dbraw/zinc/17/79/56/661177956.db2.gz YAGVQSWBSRSNKN-SCUASFONSA-N 1 0 304.398 0.842 10 0 DCAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnc2sccn2c1=O ZINC000237885137 665411531 /nfs/dbraw/zinc/41/15/31/665411531.db2.gz FBBJKVPRSOKYTE-SNVBAGLBSA-N 1 0 306.391 0.876 10 0 DCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113961 657980548 /nfs/dbraw/zinc/98/05/48/657980548.db2.gz KDUXJHXPJIVMKD-RNFRBKRXSA-N 1 0 313.288 0.958 10 0 DCAERO CCN(CCc1nccs1)CN1C[C@H](C(=O)OC)CC1=O ZINC000181390552 665568899 /nfs/dbraw/zinc/56/88/99/665568899.db2.gz GTYKITQNZHZOGF-LLVKDONJSA-N 1 0 311.407 0.987 10 0 DCAERO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250836097 665589177 /nfs/dbraw/zinc/58/91/77/665589177.db2.gz KVTHREIBHICALE-LOWDOPEQSA-N 1 0 300.424 0.601 10 0 DCAERO COCC[N@@H+]1CCN(CN2C[C@@](C)(COC)CC2=O)C[C@@H]1C ZINC000177145792 658702598 /nfs/dbraw/zinc/70/25/98/658702598.db2.gz QUBFJRMVOPWHSO-HOCLYGCPSA-N 1 0 313.442 0.481 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000261729614 661579771 /nfs/dbraw/zinc/57/97/71/661579771.db2.gz FPVKGUAJGSXZBF-QEORTHHSSA-N 1 0 321.421 0.352 10 0 DCAERO CCOc1ccc(-n2ncc(C(=O)NC[C@H](C)[NH2+]C)c2C)nn1 ZINC000261768159 661636868 /nfs/dbraw/zinc/63/68/68/661636868.db2.gz OZQRIYBKSSZOBQ-JTQLQIEISA-N 1 0 318.381 0.707 10 0 DCAERO CC(C)(O)[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000721806195 662102256 /nfs/dbraw/zinc/10/22/56/662102256.db2.gz ZPKWOBRFZQLWGB-STQMWFEESA-N 1 0 304.456 0.751 10 0 DCAERO C=CC(=O)N(CC)CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000911418881 664046446 /nfs/dbraw/zinc/04/64/46/664046446.db2.gz WOAVYUPXONZAFY-MCIONIFRSA-N 1 0 309.410 0.125 10 0 DCAERO CCS(=O)(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000172398069 664621067 /nfs/dbraw/zinc/62/10/67/664621067.db2.gz SDAWAXPBFCYRPT-ZDUSSCGKSA-N 1 0 306.472 0.446 10 0 DCAERO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261627870 664711551 /nfs/dbraw/zinc/71/15/51/664711551.db2.gz BMIQPKBVMAYSGS-CHWSQXEVSA-N 1 0 317.455 0.149 10 0 DCAERO OCc1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)c(=S)n1C1CC1 ZINC000179480768 665359595 /nfs/dbraw/zinc/35/95/95/665359595.db2.gz UXVCOVYSEIQDGI-GFCCVEGCSA-N 1 0 309.439 0.979 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000700954522 666781973 /nfs/dbraw/zinc/78/19/73/666781973.db2.gz GWNVHCDAUGCDEA-YPMHNXCESA-N 1 0 303.428 0.140 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000702329426 666943538 /nfs/dbraw/zinc/94/35/38/666943538.db2.gz LGUYSFSFVNXQNG-SJORKVTESA-N 1 0 318.465 0.904 10 0 DCAERO Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702844047 667009927 /nfs/dbraw/zinc/00/99/27/667009927.db2.gz HYKARAPTKNIWEH-DGCLKSJQSA-N 1 0 310.398 0.738 10 0 DCAERO [NH3+]C[C@]1(CO)COCCN1Cc1cncc(Br)c1 ZINC000703230411 667071414 /nfs/dbraw/zinc/07/14/14/667071414.db2.gz RXDKIOZWGYTYSM-LBPRGKRZSA-N 1 0 316.199 0.366 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCS(C)(=O)=O)[C@H](C)C1 ZINC000120698076 667340182 /nfs/dbraw/zinc/34/01/82/667340182.db2.gz HXWHGSRNVRWIAQ-VXGBXAGGSA-N 1 0 305.444 0.403 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708555388 667444368 /nfs/dbraw/zinc/44/43/68/667444368.db2.gz TYXMDOALLOYMAK-CYBMUJFWSA-N 1 0 317.389 0.329 10 0 DCAERO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)CS1 ZINC000709741275 667444889 /nfs/dbraw/zinc/44/48/89/667444889.db2.gz KFNVOHFSLILLTB-VXGBXAGGSA-N 1 0 308.469 0.522 10 0 DCAERO COC[C@@]1(C(=O)N[C@@H](C)COCc2ccccc2)C[NH2+]CCO1 ZINC000710691402 667446026 /nfs/dbraw/zinc/44/60/26/667446026.db2.gz QCFJKEVXQVBJFS-WMLDXEAASA-N 1 0 322.405 0.713 10 0 DCAERO COC[C@]1(C(=O)N2CCS[C@@H](C(C)C)C2)C[NH2+]CCO1 ZINC000710798816 667446454 /nfs/dbraw/zinc/44/64/54/667446454.db2.gz UJZHIHMZKFPNKB-OCCSQVGLSA-N 1 0 302.440 0.591 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000717291313 667529595 /nfs/dbraw/zinc/52/95/95/667529595.db2.gz CYTLOZUBTUAQHT-UWJYBYFXSA-N 1 0 304.184 0.814 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000122374117 667620443 /nfs/dbraw/zinc/62/04/43/667620443.db2.gz WVYYCPLMMJCJHC-LBPRGKRZSA-N 1 0 307.460 0.793 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)NCCC[NH3+])ccc1Cl ZINC000122692540 667672435 /nfs/dbraw/zinc/67/24/35/667672435.db2.gz SSDJSJCTRHRDBX-UHFFFAOYSA-N 1 0 306.771 0.754 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cn2cccn2)C1 ZINC000886093814 667731680 /nfs/dbraw/zinc/73/16/80/667731680.db2.gz IZSKUOMIFFSYPR-ZNMIVQPWSA-N 1 0 306.410 0.983 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000124515450 668078037 /nfs/dbraw/zinc/07/80/37/668078037.db2.gz NHXSUBIHDOIDCQ-IUCAKERBSA-N 1 0 306.819 0.788 10 0 DCAERO C[NH+](C)C[C@@]1(O)CCN(c2ncncc2Br)C1 ZINC000713646888 670164587 /nfs/dbraw/zinc/16/45/87/670164587.db2.gz GZJHDTNZCNIDKJ-NSHDSACASA-N 1 0 301.188 0.742 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713893430 670168948 /nfs/dbraw/zinc/16/89/48/670168948.db2.gz QUCBAJILQWKJDM-UONOGXRCSA-N 1 0 305.378 0.254 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242988 670182124 /nfs/dbraw/zinc/18/21/24/670182124.db2.gz JOIMZVIEDHTDHV-RWMBFGLXSA-N 1 0 302.415 0.965 10 0 DCAERO [NH3+]C1CC(CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000715133270 670206609 /nfs/dbraw/zinc/20/66/09/670206609.db2.gz FPMARZIDOYCSBG-UHFFFAOYSA-N 1 0 314.183 0.464 10 0 DCAERO Cc1nc2c(cnn2C)c(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000194213515 670413051 /nfs/dbraw/zinc/41/30/51/670413051.db2.gz JARWIFDXUMRUNU-LBPRGKRZSA-N 1 0 304.398 0.930 10 0 DCAERO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CC1 ZINC000194809856 670457491 /nfs/dbraw/zinc/45/74/91/670457491.db2.gz LHRVYVUFIGZDDR-CYBMUJFWSA-N 1 0 316.405 0.903 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1n1ccnn1 ZINC000859757730 671144009 /nfs/dbraw/zinc/14/40/09/671144009.db2.gz MRVZLHLYDKTNOC-OLZOCXBDSA-N 1 0 316.413 0.193 10 0 DCAERO COCC[N@@H+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@H]1C ZINC000117322631 671193146 /nfs/dbraw/zinc/19/31/46/671193146.db2.gz ADNMLZVOHNZPTB-KFWWJZLASA-N 1 0 321.421 0.548 10 0 DCAERO CC[C@@H]1CN(Cn2cc(C(=O)OC)nn2)CC[N@@H+]1CCOC ZINC000117324504 671193277 /nfs/dbraw/zinc/19/32/77/671193277.db2.gz VTVAAOQEWAGBTC-GFCCVEGCSA-N 1 0 311.386 0.065 10 0 DCAERO Cn1nc(Br)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000718382704 685304255 /nfs/dbraw/zinc/30/42/55/685304255.db2.gz DUOIOYNAMQXWMY-UHFFFAOYSA-N 1 0 301.188 0.926 10 0 DCAERO CCO[C@@H]1CN(CCCS(=O)(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC000718733704 685305547 /nfs/dbraw/zinc/30/55/47/685305547.db2.gz LWPKJKFVYZHTHA-CHWSQXEVSA-N 1 0 306.472 0.885 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCCOC(F)(F)C(F)(F)F ZINC000720310346 685312290 /nfs/dbraw/zinc/31/22/90/685312290.db2.gz RGWDPTYDTVGCDG-SSDOTTSWSA-N 1 0 306.231 0.653 10 0 DCAERO CCOCCS(=O)(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720164093 685312825 /nfs/dbraw/zinc/31/28/25/685312825.db2.gz JNKMSYQTTMNEMO-GFCCVEGCSA-N 1 0 306.428 0.101 10 0 DCAERO O=C(CNCC(F)(F)F)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720474980 685313549 /nfs/dbraw/zinc/31/35/49/685313549.db2.gz PSRLHLBNTBVTIG-VHSXEESVSA-N 1 0 311.373 0.834 10 0 DCAERO COCCOC[C@@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000720682921 685314468 /nfs/dbraw/zinc/31/44/68/685314468.db2.gz UIVXBPXQXSSAIV-JTQLQIEISA-N 1 0 322.203 0.296 10 0 DCAERO CS(=O)(=O)CCCCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720799508 685314761 /nfs/dbraw/zinc/31/47/61/685314761.db2.gz ZYQYWSLAXAJYOD-VHSXEESVSA-N 1 0 302.362 0.880 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C(F)(F)F ZINC000720804258 685315216 /nfs/dbraw/zinc/31/52/16/685315216.db2.gz IODHAALWEDYHGX-SCZZXKLOSA-N 1 0 309.313 0.839 10 0 DCAERO COc1cncc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000721153964 685317227 /nfs/dbraw/zinc/31/72/27/685317227.db2.gz OULODKKXYNXZGN-CYBMUJFWSA-N 1 0 300.380 0.384 10 0 DCAERO Cc1sc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1C ZINC000722596354 685319528 /nfs/dbraw/zinc/31/95/28/685319528.db2.gz ACVVILDLRMABIC-LBPRGKRZSA-N 1 0 317.480 0.937 10 0 DCAERO CCCC[C@H]1NC(=O)N(CN2CCO[C@@H](C[NH+](C)C)C2)C1=O ZINC000246878339 685167686 /nfs/dbraw/zinc/16/76/86/685167686.db2.gz AUKICIPVOYQEQK-QWHCGFSZSA-N 1 0 312.414 0.317 10 0 DCAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1nnnn1C1CC1 ZINC000249555417 685181858 /nfs/dbraw/zinc/18/18/58/685181858.db2.gz LQYRQBJBFHPQLF-MDZLAQPJSA-N 1 0 319.413 0.947 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000062127067 1172396683 /nfs/dbraw/zinc/39/66/83/1172396683.db2.gz QKZNEWOAGHOISL-UHFFFAOYSA-N 1 0 321.396 0.991 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000062187177 1172426052 /nfs/dbraw/zinc/42/60/52/1172426052.db2.gz HOSMEYFGMHZDLL-UHFFFAOYSA-N 1 0 309.435 0.913 10 0 DCAERO Cc1cc(CC(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)no1 ZINC000062264634 1172571876 /nfs/dbraw/zinc/57/18/76/1172571876.db2.gz ACPAUPIWMPYPEF-UHFFFAOYSA-N 1 0 308.382 0.148 10 0 DCAERO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccc(C)cn2)CC1 ZINC000134300097 1177531841 /nfs/dbraw/zinc/53/18/41/1177531841.db2.gz VZRLLLPDRXKLPE-UHFFFAOYSA-N 1 0 304.394 0.560 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000247304694 1183219491 /nfs/dbraw/zinc/21/94/91/1183219491.db2.gz LOZKBPWZMGNPSC-RYUDHWBXSA-N 1 0 310.398 0.069 10 0 DCAERO 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[NH3+][C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)C1CCOCC1 ZINC000262042346 396093001 /nfs/dbraw/zinc/09/30/01/396093001.db2.gz QHYZYRFZKFARPS-AWEZNQCLSA-N 1 0 305.334 0.710 10 0 DCAERO COCC(=O)NC[C@H]1CCN(Cc2ccco2)C[C@H]1[NH+](C)C ZINC000169788892 396093327 /nfs/dbraw/zinc/09/33/27/396093327.db2.gz RPEUISQTSIUGCM-UKRRQHHQSA-N 1 0 309.410 0.794 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)C[C@H](C[NH3+])OC ZINC000262067625 396095124 /nfs/dbraw/zinc/09/51/24/396095124.db2.gz WOJFFADNSXMQSB-OCCSQVGLSA-N 1 0 307.394 0.532 10 0 DCAERO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cnc4n3CCC4)C[C@@H]21 ZINC000262101697 396098827 /nfs/dbraw/zinc/09/88/27/396098827.db2.gz SXHCSPUAOXKYLS-SDDRHHMPSA-N 1 0 310.423 0.577 10 0 DCAERO Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@H]([NH+](C)C)C1)c2=O ZINC000170866029 396099418 /nfs/dbraw/zinc/09/94/18/396099418.db2.gz AJEMBAHPBBIJPZ-GFCCVEGCSA-N 1 0 300.362 0.779 10 0 DCAERO C[NH2+]CCN(C)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303723 396101007 /nfs/dbraw/zinc/10/10/07/396101007.db2.gz YEPPUIFHBPAVRH-UHFFFAOYSA-N 1 0 300.380 0.242 10 0 DCAERO O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262135441 396102613 /nfs/dbraw/zinc/10/26/13/396102613.db2.gz GVHUTMKVYZHRHB-SMDDNHRTSA-N 1 0 319.336 0.720 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000170991536 396103148 /nfs/dbraw/zinc/10/31/48/396103148.db2.gz SPZTYBXFUZIHQT-NSHDSACASA-N 1 0 311.407 0.406 10 0 DCAERO Cc1noc(CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000171237724 396112003 /nfs/dbraw/zinc/11/20/03/396112003.db2.gz KLMCYKCPMCUVHT-LBPRGKRZSA-N 1 0 311.386 0.067 10 0 DCAERO Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cn1 ZINC000278941053 396142511 /nfs/dbraw/zinc/14/25/11/396142511.db2.gz UKLWCFZMQFGISU-BBRMVZONSA-N 1 0 317.393 0.128 10 0 DCAERO Cc1cnn(C[C@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CCO2)c1 ZINC000262290412 396119026 /nfs/dbraw/zinc/11/90/26/396119026.db2.gz OPEPUKGDXMAISH-CQSZACIVSA-N 1 0 322.409 0.174 10 0 DCAERO O=C(c1sccc1-n1cnnn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586390 396119971 /nfs/dbraw/zinc/11/99/71/396119971.db2.gz VOTYWPARXARSTM-JTQLQIEISA-N 1 0 304.379 0.644 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262301235 396120469 /nfs/dbraw/zinc/12/04/69/396120469.db2.gz BNCQZWRIDXRGAJ-GJZGRUSLSA-N 1 0 322.453 0.140 10 0 DCAERO COc1ccccc1C(=O)NCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171627268 396120644 /nfs/dbraw/zinc/12/06/44/396120644.db2.gz WVVRHQDTCSJSAU-CYBMUJFWSA-N 1 0 317.389 0.732 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000172082166 396128486 /nfs/dbraw/zinc/12/84/86/396128486.db2.gz KBDIKZHKUGMPNC-UKRRQHHQSA-N 1 0 305.426 0.547 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1C ZINC000172614067 396132990 /nfs/dbraw/zinc/13/29/90/396132990.db2.gz ZSJWZIOXVMBWIZ-AGIUHOORSA-N 1 0 317.455 0.352 10 0 DCAERO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262398574 396135662 /nfs/dbraw/zinc/13/56/62/396135662.db2.gz QUOSDFGCKRGUGN-IHRRRGAJSA-N 1 0 322.453 0.186 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173909001 396136107 /nfs/dbraw/zinc/13/61/07/396136107.db2.gz XNNUUAFNFCUZNA-GJZGRUSLSA-N 1 0 310.442 0.444 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000173908620 396136524 /nfs/dbraw/zinc/13/65/24/396136524.db2.gz OJYWDHQDAYHCDK-HIFRSBDPSA-N 1 0 310.442 0.585 10 0 DCAERO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262405543 396136821 /nfs/dbraw/zinc/13/68/21/396136821.db2.gz ORJUKVVHVLYEQT-STQMWFEESA-N 1 0 305.378 0.876 10 0 DCAERO COCC1(C(=O)NCCCCCC(=O)OC)CC[NH2+]CC1 ZINC000262435264 396139756 /nfs/dbraw/zinc/13/97/56/396139756.db2.gz XEUJLVBTLUWEER-UHFFFAOYSA-N 1 0 300.399 0.852 10 0 DCAERO [NH3+]CC1(C(=O)NCc2nncn2-c2ccccc2)CCOCC1 ZINC000261884086 396075607 /nfs/dbraw/zinc/07/56/07/396075607.db2.gz FSDVJYHAHYSKEJ-UHFFFAOYSA-N 1 0 315.377 0.639 10 0 DCAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261892521 396076306 /nfs/dbraw/zinc/07/63/06/396076306.db2.gz VQGRNERGRFJVGS-BMIGLBTASA-N 1 0 308.426 0.838 10 0 DCAERO CN(CCC[NH+]1CCN(C)CC1)Cc1nsc(N(C)C)n1 ZINC000162001163 396078006 /nfs/dbraw/zinc/07/80/06/396078006.db2.gz WUKUAMROQJRBIV-UHFFFAOYSA-N 1 0 312.487 0.673 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000175363490 396140557 /nfs/dbraw/zinc/14/05/57/396140557.db2.gz XDTKCIVBQLWURK-CQSZACIVSA-N 1 0 318.425 0.793 10 0 DCAERO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261925000 396080433 /nfs/dbraw/zinc/08/04/33/396080433.db2.gz ZDIMAUDQIVLDRC-ZIAGYGMSSA-N 1 0 311.426 0.505 10 0 DCAERO CCNC(=O)c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261946676 396082667 /nfs/dbraw/zinc/08/26/67/396082667.db2.gz NSIXLULVFNROCM-UHFFFAOYSA-N 1 0 319.405 0.808 10 0 DCAERO COc1ccccc1[C@H]1CNCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261950326 396083460 /nfs/dbraw/zinc/08/34/60/396083460.db2.gz LMRXJNGGZCSXCJ-UKRRQHHQSA-N 1 0 305.378 0.157 10 0 DCAERO C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261965989 396085188 /nfs/dbraw/zinc/08/51/88/396085188.db2.gz HTGSNVPLAMXQMC-RDJZCZTQSA-N 1 0 308.470 0.615 10 0 DCAERO Cc1cc2ncc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c(C)n2n1 ZINC000263197906 396205800 /nfs/dbraw/zinc/20/58/00/396205800.db2.gz IRWJJXHOVLCSLG-GFCCVEGCSA-N 1 0 313.365 0.972 10 0 DCAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c2cnn(C)c2n1 ZINC000263195661 396206028 /nfs/dbraw/zinc/20/60/28/396206028.db2.gz IJKKRMUXQKBVHX-GFCCVEGCSA-N 1 0 313.365 0.903 10 0 DCAERO [NH3+]CCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000262473043 396144583 /nfs/dbraw/zinc/14/45/83/396144583.db2.gz KVBMIXSIQDNWMC-NSHDSACASA-N 1 0 319.361 0.276 10 0 DCAERO O=C(NC1CC[NH2+]CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000262512928 396148987 /nfs/dbraw/zinc/14/89/87/396148987.db2.gz PFMYJOPEEPBMNJ-ZDUSSCGKSA-N 1 0 311.451 0.946 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262569098 396156731 /nfs/dbraw/zinc/15/67/31/396156731.db2.gz XEFDJJCJOIPBOA-BRXULGCHSA-N 1 0 306.410 0.920 10 0 DCAERO COc1ccc(COCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262570097 396156942 /nfs/dbraw/zinc/15/69/42/396156942.db2.gz YWMPBBWKTVSMIC-HIFRSBDPSA-N 1 0 308.378 0.441 10 0 DCAERO C[NH2+]C[C@H]1CCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262576386 396157667 /nfs/dbraw/zinc/15/76/67/396157667.db2.gz FZVHZMINMJLMNC-GFCCVEGCSA-N 1 0 314.389 0.686 10 0 DCAERO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262576388 396157840 /nfs/dbraw/zinc/15/78/40/396157840.db2.gz FZVHZMINMJLMNC-LBPRGKRZSA-N 1 0 314.389 0.686 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000263265304 396210536 /nfs/dbraw/zinc/21/05/36/396210536.db2.gz UZIRYCQMWTXLPO-JSGCOSHPSA-N 1 0 307.398 0.146 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000262625972 396164529 /nfs/dbraw/zinc/16/45/29/396164529.db2.gz LBWMSCAMSPOZFF-IINYFYTJSA-N 1 0 320.393 0.604 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(=O)n(CCOC)n1 ZINC000176997998 396164794 /nfs/dbraw/zinc/16/47/94/396164794.db2.gz VQQBGBNHIQHAKE-CYBMUJFWSA-N 1 0 322.409 0.446 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177280551 396170901 /nfs/dbraw/zinc/17/09/01/396170901.db2.gz WDPBWHAOYMEFDI-CYBMUJFWSA-N 1 0 305.378 0.559 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262755904 396179113 /nfs/dbraw/zinc/17/91/13/396179113.db2.gz HUOUVABCIKVTKH-GWCFXTLKSA-N 1 0 312.391 0.750 10 0 DCAERO CC(C)n1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697107 396182263 /nfs/dbraw/zinc/18/22/63/396182263.db2.gz SOQCZBQXWUNVBL-LBPRGKRZSA-N 1 0 305.382 0.709 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262790499 396182335 /nfs/dbraw/zinc/18/23/35/396182335.db2.gz RNKPXHDUPRCOCH-WCBMZHEXSA-N 1 0 308.354 0.425 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000262810694 396183660 /nfs/dbraw/zinc/18/36/60/396183660.db2.gz XYCWHVMGIXCUGX-CBAPKCEASA-N 1 0 304.803 0.594 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000262805072 396183754 /nfs/dbraw/zinc/18/37/54/396183754.db2.gz WMKQBXIXYLFHRE-WCBMZHEXSA-N 1 0 318.420 0.811 10 0 DCAERO CCNS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696208 396204775 /nfs/dbraw/zinc/20/47/75/396204775.db2.gz YDBQNSVSRXJICA-CQSZACIVSA-N 1 0 313.423 0.192 10 0 DCAERO CNC(=O)c1cccnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078250024 396240564 /nfs/dbraw/zinc/24/05/64/396240564.db2.gz UGNJWANUOQREKM-AWEZNQCLSA-N 1 0 318.421 0.990 10 0 DCAERO NC(=O)C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CCCCC1 ZINC000182013685 396244812 /nfs/dbraw/zinc/24/48/12/396244812.db2.gz JHZDVIZKDYTXAW-CABCVRRESA-N 1 0 313.442 0.093 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(c2nnnn2-c2ccc(C)cc2)CC1 ZINC000078522930 396246629 /nfs/dbraw/zinc/24/66/29/396246629.db2.gz PTFSFAHOMBLDLM-AWEZNQCLSA-N 1 0 316.409 0.864 10 0 DCAERO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc2c(c1)OCO2 ZINC000182278041 396249037 /nfs/dbraw/zinc/24/90/37/396249037.db2.gz VQMQBGVBNURFFL-SNVBAGLBSA-N 1 0 317.345 0.664 10 0 DCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183026251 396258874 /nfs/dbraw/zinc/25/88/74/396258874.db2.gz KRIBFYGEKYYXLJ-STQMWFEESA-N 1 0 314.455 0.802 10 0 DCAERO C[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccccc1Cl ZINC000179173194 396222924 /nfs/dbraw/zinc/22/29/24/396222924.db2.gz OUEXBMGMHCPKLG-QJPTWQEYSA-N 1 0 312.797 0.945 10 0 DCAERO OCCC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000179748920 396229054 /nfs/dbraw/zinc/22/90/54/396229054.db2.gz KSCHCWZXJFTHPN-SJORKVTESA-N 1 0 308.422 0.783 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935491 396311603 /nfs/dbraw/zinc/31/16/03/396311603.db2.gz NDCZPXPKVBVHIA-LSDHHAIUSA-N 1 0 312.458 0.569 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2cc(C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000184986209 396313566 /nfs/dbraw/zinc/31/35/66/396313566.db2.gz RBKXXVDGFNWCPU-CHWSQXEVSA-N 1 0 310.398 0.970 10 0 DCAERO COCCN(CC[NH+](C)C)C(=O)c1ccc2nnn(C)c2c1 ZINC000185192954 396321246 /nfs/dbraw/zinc/32/12/46/396321246.db2.gz SVGDFSQNHLYRND-UHFFFAOYSA-N 1 0 305.382 0.619 10 0 DCAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000185344357 396325132 /nfs/dbraw/zinc/32/51/32/396325132.db2.gz CEZQRYIMMKRGFU-GFCCVEGCSA-N 1 0 311.382 0.944 10 0 DCAERO CC[C@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC000186190104 396343722 /nfs/dbraw/zinc/34/37/22/396343722.db2.gz QVSBJKBTQWQDCH-ZDUSSCGKSA-N 1 0 314.430 0.217 10 0 DCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285955836 396364806 /nfs/dbraw/zinc/36/48/06/396364806.db2.gz WKZYVFGKGKDULL-RWMBFGLXSA-N 1 0 321.377 0.329 10 0 DCAERO CCN(C)C(=O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000187272632 396366304 /nfs/dbraw/zinc/36/63/04/396366304.db2.gz WZTRJEBOPSIKST-UHFFFAOYSA-N 1 0 307.394 0.835 10 0 DCAERO O=C(NCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1cccc(F)c1 ZINC000188549490 396382968 /nfs/dbraw/zinc/38/29/68/396382968.db2.gz XHMZZAWZOPCQKF-QWHCGFSZSA-N 1 0 311.332 0.762 10 0 DCAERO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188615334 396383409 /nfs/dbraw/zinc/38/34/09/396383409.db2.gz VOCFZBFTCRWMGO-JTQLQIEISA-N 1 0 322.438 0.795 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000286285255 396386087 /nfs/dbraw/zinc/38/60/87/396386087.db2.gz SSFJYXVMYIUJOK-PBHICJAKSA-N 1 0 317.389 0.319 10 0 DCAERO COc1ccccc1C(=O)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188859540 396387993 /nfs/dbraw/zinc/38/79/93/396387993.db2.gz OQVXZKXIPIAMJU-UHFFFAOYSA-N 1 0 317.389 0.732 10 0 DCAERO C[C@H](c1nnnn1C)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000189721276 396397547 /nfs/dbraw/zinc/39/75/47/396397547.db2.gz IADWZPJFXHDJTH-KGLIPLIRSA-N 1 0 307.446 0.373 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000189714172 396397838 /nfs/dbraw/zinc/39/78/38/396397838.db2.gz UGUNPHMQYIPIJV-UONOGXRCSA-N 1 0 318.439 0.292 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000189823325 396400351 /nfs/dbraw/zinc/40/03/51/396400351.db2.gz SGHAILUJZRUDGN-KBPBESRZSA-N 1 0 302.440 0.959 10 0 DCAERO FC(F)(F)Cn1nnnc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000190994772 396413708 /nfs/dbraw/zinc/41/37/08/396413708.db2.gz INMFTVVXRDXPGB-JTQLQIEISA-N 1 0 304.320 0.906 10 0 DCAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000191663291 396422900 /nfs/dbraw/zinc/42/29/00/396422900.db2.gz OUBTVHFKFLIASL-HZPDHXFCSA-N 1 0 300.443 0.553 10 0 DCAERO O=C1OCC[C@]12CCCN2S(=O)(=O)CC[NH+]1CCCC1 ZINC000192911367 396440224 /nfs/dbraw/zinc/44/02/24/396440224.db2.gz YHRHJEZJOJMZOI-CYBMUJFWSA-N 1 0 302.396 0.194 10 0 DCAERO CCc1noc([C@@H](C)N2CCN(C(=O)CC[C@H](C)[NH3+])CC2)n1 ZINC000193312714 396448995 /nfs/dbraw/zinc/44/89/95/396448995.db2.gz YVUCAIFYCVQUJF-NWDGAFQWSA-N 1 0 309.414 0.965 10 0 DCAERO CCn1ncnc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000193341250 396449243 /nfs/dbraw/zinc/44/92/43/396449243.db2.gz QDFXGHFVRJTOQP-OAHLLOKOSA-N 1 0 306.458 0.900 10 0 DCAERO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)CCC[NH+](C)C ZINC000527461103 396535444 /nfs/dbraw/zinc/53/54/44/396535444.db2.gz GSRSWDPITBNCLI-MRXNPFEDSA-N 1 0 309.410 0.318 10 0 DCAERO Cc1ccc(CNC(=O)CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1 ZINC000292470712 396552152 /nfs/dbraw/zinc/55/21/52/396552152.db2.gz RHQBJFUPBSEEAH-NVXWUHKLSA-N 1 0 319.449 0.998 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CC(=O)NCc1cccs1 ZINC000292545146 396555579 /nfs/dbraw/zinc/55/55/79/396555579.db2.gz YCSCHJFYYFHTOB-TZMCWYRMSA-N 1 0 311.451 0.751 10 0 DCAERO CCOCC[C@H](O)C[NH+]1CCC(N2CCN(CC)C2=O)CC1 ZINC000373133117 396569003 /nfs/dbraw/zinc/56/90/03/396569003.db2.gz ODLRGVOFQKRXKX-HNNXBMFYSA-N 1 0 313.442 0.996 10 0 DCAERO Cn1ncc(I)c1CN1CC[NH2+]CC1 ZINC000584881745 396631762 /nfs/dbraw/zinc/63/17/62/396631762.db2.gz OWVVTBOMBPKEQV-UHFFFAOYSA-N 1 0 306.151 0.430 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000300301956 396715781 /nfs/dbraw/zinc/71/57/81/396715781.db2.gz XWXMMVQDSUHLQE-UPJWGTAASA-N 1 0 305.444 0.414 10 0 DCAERO CN1CCN(c2ccc(S(C)(=O)=O)cc2F)[C@@H](C[NH3+])C1 ZINC000313380044 396769126 /nfs/dbraw/zinc/76/91/26/396769126.db2.gz RBDUPXKNIFBEMT-JTQLQIEISA-N 1 0 301.387 0.308 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H]1O ZINC000328655991 396830668 /nfs/dbraw/zinc/83/06/68/396830668.db2.gz YXJMMLMBJKDFGB-KBUPBQIOSA-N 1 0 324.425 0.549 10 0 DCAERO CNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406284 396863873 /nfs/dbraw/zinc/86/38/73/396863873.db2.gz XDNBWEXDJQXJIS-ZDUSSCGKSA-N 1 0 321.377 0.972 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618679210 397011316 /nfs/dbraw/zinc/01/13/16/397011316.db2.gz CNNGREQXXYFPGL-OLZOCXBDSA-N 1 0 317.455 0.353 10 0 DCAERO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC000572348914 397049307 /nfs/dbraw/zinc/04/93/07/397049307.db2.gz MPSVBGTUZZZJHC-NWDGAFQWSA-N 1 0 300.355 0.495 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364068391 397179277 /nfs/dbraw/zinc/17/92/77/397179277.db2.gz BRNRFMWFJDQRAR-RBSFLKMASA-N 1 0 309.410 0.055 10 0 DCAERO CCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)s1 ZINC000390204264 397300059 /nfs/dbraw/zinc/30/00/59/397300059.db2.gz JWWOYDXBBSWEOA-JTQLQIEISA-N 1 0 304.437 0.967 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000400178656 397317128 /nfs/dbraw/zinc/31/71/28/397317128.db2.gz OGLIVDBYQQOWCE-ZIAGYGMSSA-N 1 0 304.456 0.941 10 0 DCAERO CCn1c(N)c(C(=O)CN2CCCC23CCC3)c(=O)[nH]c1=O ZINC000365630782 397302837 /nfs/dbraw/zinc/30/28/37/397302837.db2.gz PPQCQYAXIILWRT-UHFFFAOYSA-N 1 0 306.366 0.752 10 0 DCAERO COCC[C@H](C)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408027865 397345354 /nfs/dbraw/zinc/34/53/54/397345354.db2.gz NADFYCUUUNXSGH-RWMBFGLXSA-N 1 0 306.428 0.146 10 0 DCAERO COC(C)(C)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408186996 397349402 /nfs/dbraw/zinc/34/94/02/397349402.db2.gz KIEMARPLGLZWLO-UHFFFAOYSA-N 1 0 300.399 0.097 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404140070 397327374 /nfs/dbraw/zinc/32/73/74/397327374.db2.gz YRHMBNZZZVMCHR-HUUCEWRRSA-N 1 0 315.373 0.345 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404150232 397328252 /nfs/dbraw/zinc/32/82/52/397328252.db2.gz LRWLAENLVDZROG-QWHCGFSZSA-N 1 0 305.444 0.416 10 0 DCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)CCO1 ZINC000370169728 397450103 /nfs/dbraw/zinc/45/01/03/397450103.db2.gz BALHTYWTQSAADI-MCIONIFRSA-N 1 0 306.410 0.906 10 0 DCAERO C=Cn1cc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cn1 ZINC000578290355 397415725 /nfs/dbraw/zinc/41/57/25/397415725.db2.gz YTPMDBSJPPCEQS-AWEZNQCLSA-N 1 0 314.393 0.998 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000368323640 397418777 /nfs/dbraw/zinc/41/87/77/397418777.db2.gz IEMBAGJZBLVYMT-HUUCEWRRSA-N 1 0 310.442 0.444 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371243235 397561732 /nfs/dbraw/zinc/56/17/32/397561732.db2.gz JIZVKYLFLCKLJC-MELADBBJSA-N 1 0 311.451 0.898 10 0 DCAERO CCc1nc(C(C)(C)NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)no1 ZINC000579911511 397597369 /nfs/dbraw/zinc/59/73/69/397597369.db2.gz JOVROODCUWILDX-LLVKDONJSA-N 1 0 324.429 0.412 10 0 DCAERO Cc1nnc(CN2CCN(CC(=O)NC3CCCC3)CC2)[nH]1 ZINC000605422694 397664530 /nfs/dbraw/zinc/66/45/30/397664530.db2.gz PTOSWJUVNSSWSH-UHFFFAOYSA-N 1 0 306.414 0.290 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)[N@H+](C)C1 ZINC000329129984 286083549 /nfs/dbraw/zinc/08/35/49/286083549.db2.gz OCBGLPZUQYBMAT-LXFSFDBISA-N 1 0 312.410 0.094 10 0 DCAERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000049072836 158009394 /nfs/dbraw/zinc/00/93/94/158009394.db2.gz KWLZMNHESALYNV-GFCCVEGCSA-N 1 0 302.440 0.754 10 0 DCAERO CCOCCOCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000056982702 158024343 /nfs/dbraw/zinc/02/43/43/158024343.db2.gz SOFXLUIJADPBOI-UHFFFAOYSA-N 1 0 314.426 0.610 10 0 DCAERO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000079167514 158077449 /nfs/dbraw/zinc/07/74/49/158077449.db2.gz OJCGSZHRZHETOR-HIFRSBDPSA-N 1 0 312.458 0.879 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C(N)=O)o1 ZINC000083231533 158086976 /nfs/dbraw/zinc/08/69/76/158086976.db2.gz GBPDBIBKBBEDRR-LLVKDONJSA-N 1 0 324.381 0.289 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000084935770 158089154 /nfs/dbraw/zinc/08/91/54/158089154.db2.gz RCJKOPDZIWDQMQ-QWHCGFSZSA-N 1 0 307.460 0.662 10 0 DCAERO O=S(=O)([C@H]1CC[N@H+](CC2=CCCOC2)C1)N1CCCC1 ZINC000092044995 158110396 /nfs/dbraw/zinc/11/03/96/158110396.db2.gz LXQWKFWDSLVVDG-AWEZNQCLSA-N 1 0 300.424 0.833 10 0 DCAERO COc1c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C)nn1C ZINC000093664849 158121549 /nfs/dbraw/zinc/12/15/49/158121549.db2.gz DADLHXOQVYVMTL-CQSZACIVSA-N 1 0 308.426 0.891 10 0 DCAERO CCN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000096780348 158124571 /nfs/dbraw/zinc/12/45/71/158124571.db2.gz QJLAKVZICLIETI-UHFFFAOYSA-N 1 0 317.437 0.611 10 0 DCAERO COC(=O)NCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000107596389 158135427 /nfs/dbraw/zinc/13/54/27/158135427.db2.gz RMMDXVKANGLXGA-UHFFFAOYSA-N 1 0 323.397 0.201 10 0 DCAERO CC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000112723048 158143961 /nfs/dbraw/zinc/14/39/61/158143961.db2.gz CCVLRBHPZMUDMH-AWEZNQCLSA-N 1 0 311.426 0.777 10 0 DCAERO CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788644 158167413 /nfs/dbraw/zinc/16/74/13/158167413.db2.gz KNMYNCIRRSFOHQ-NWDGAFQWSA-N 1 0 300.403 0.003 10 0 DCAERO Cc1cnn(CCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116891292 158168095 /nfs/dbraw/zinc/16/80/95/158168095.db2.gz ISWJHAFUMUDOPN-AWEZNQCLSA-N 1 0 314.455 0.985 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnccc1C ZINC000118124421 158175799 /nfs/dbraw/zinc/17/57/99/158175799.db2.gz VNVUQGNYVGUSEB-ZDUSSCGKSA-N 1 0 320.393 0.556 10 0 DCAERO Cc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C(N)=O ZINC000118816908 158179500 /nfs/dbraw/zinc/17/95/00/158179500.db2.gz NCYUUOMKXNSFKQ-CYBMUJFWSA-N 1 0 320.393 0.888 10 0 DCAERO CC(C)(C)[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)C(N)=O ZINC000119355325 158185482 /nfs/dbraw/zinc/18/54/82/158185482.db2.gz DDPAMVZXBKVVMW-JTQLQIEISA-N 1 0 310.398 0.341 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000119986432 158192073 /nfs/dbraw/zinc/19/20/73/158192073.db2.gz MRGIKQWZSVKEGA-LBPRGKRZSA-N 1 0 300.428 0.224 10 0 DCAERO COc1cc(C[NH2+]C2(CO)CC2)cc(Cl)c1OCC(N)=O ZINC000120360411 158197490 /nfs/dbraw/zinc/19/74/90/158197490.db2.gz ODSNLPLNWTUFKG-UHFFFAOYSA-N 1 0 314.769 0.827 10 0 DCAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)cc1F ZINC000121555201 158211572 /nfs/dbraw/zinc/21/15/72/158211572.db2.gz GDIGVFQLROKZGY-JTQLQIEISA-N 1 0 309.341 0.443 10 0 DCAERO Cc1ccccc1CNC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123156963 158227410 /nfs/dbraw/zinc/22/74/10/158227410.db2.gz JVBPRFWSTPBBOB-NFAWXSAZSA-N 1 0 319.405 0.574 10 0 DCAERO C[C@@H]1CN(C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CCO1 ZINC000124112135 158238516 /nfs/dbraw/zinc/23/85/16/158238516.db2.gz UUOXIBWSNWWFMK-CYBMUJFWSA-N 1 0 309.410 0.321 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000128243933 158279603 /nfs/dbraw/zinc/27/96/03/158279603.db2.gz NMIJVDWYZASVFT-HOCLYGCPSA-N 1 0 313.442 0.807 10 0 DCAERO CCC[C@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[NH+](C)C ZINC000128553923 158281199 /nfs/dbraw/zinc/28/11/99/158281199.db2.gz MGBKBCAHMSCNEQ-SNVBAGLBSA-N 1 0 319.452 0.742 10 0 DCAERO CCN(C)C(=O)CC[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000130354686 158295181 /nfs/dbraw/zinc/29/51/81/158295181.db2.gz OIXHHDOROBTVQT-UHFFFAOYSA-N 1 0 309.414 0.754 10 0 DCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cncc(Br)c1 ZINC000133742640 158322166 /nfs/dbraw/zinc/32/21/66/158322166.db2.gz HXYAMZSYRJUZGT-QMMMGPOBSA-N 1 0 320.212 0.732 10 0 DCAERO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1COCCN1 ZINC000168845322 158372479 /nfs/dbraw/zinc/37/24/79/158372479.db2.gz NRLGCYLTRZUJSM-AWEZNQCLSA-N 1 0 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O=S(=O)(c1cc(F)cc(F)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366988986 159302390 /nfs/dbraw/zinc/30/23/90/159302390.db2.gz NWOWSNZIYHBLKC-NEPJUHHUSA-N 1 0 304.318 0.326 10 0 DCAERO O=S(=O)(c1ccc(Cl)s1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366990971 159302721 /nfs/dbraw/zinc/30/27/21/159302721.db2.gz VVLPDVPUUSQHGQ-SFYZADRCSA-N 1 0 308.812 0.763 10 0 DCAERO CC(C)(CNC(=O)N1CCN2CCOC[C@H]2C1)[NH+]1CCCCC1 ZINC000368284363 159384972 /nfs/dbraw/zinc/38/49/72/159384972.db2.gz NSXAKARZGXQJTH-OAHLLOKOSA-N 1 0 324.469 0.977 10 0 DCAERO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000368473812 159397137 /nfs/dbraw/zinc/39/71/37/159397137.db2.gz KFHCYVQKTQWELG-MRXNPFEDSA-N 1 0 322.453 0.587 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCO)CC1=O ZINC000368513868 159399000 /nfs/dbraw/zinc/39/90/00/159399000.db2.gz IPCGBENCDKBZHD-KBPBESRZSA-N 1 0 311.426 0.160 10 0 DCAERO CN(C)c1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(=O)[nH]1 ZINC000407993330 160005688 /nfs/dbraw/zinc/00/56/88/160005688.db2.gz 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/nfs/dbraw/zinc/10/83/23/160108323.db2.gz NPKCSSOOROSRPV-ZDUSSCGKSA-N 1 0 304.394 0.824 10 0 DCAERO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408459529 160112504 /nfs/dbraw/zinc/11/25/04/160112504.db2.gz YIFKHXCPKIZAAK-KBPBESRZSA-N 1 0 319.471 0.662 10 0 DCAERO CN1CC(=O)N(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1=O ZINC000052555242 286895118 /nfs/dbraw/zinc/89/51/18/286895118.db2.gz MZIDBDOZZVEEFC-ZDUSSCGKSA-N 1 0 318.377 0.300 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000132564285 287005972 /nfs/dbraw/zinc/00/59/72/287005972.db2.gz YSNQWNVBXDTDCR-OAHLLOKOSA-N 1 0 312.458 0.738 10 0 DCAERO CC[C@H]1CN(CCCNS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC000132550418 287006003 /nfs/dbraw/zinc/00/60/03/287006003.db2.gz MXMSWSXAISTHMZ-AWEZNQCLSA-N 1 0 321.487 0.358 10 0 DCAERO C[C@@H]1CCC[C@@](CNC(=O)C[C@@H]2NC(=O)NC2=O)([NH+](C)C)C1 ZINC000137904528 287028911 /nfs/dbraw/zinc/02/89/11/287028911.db2.gz VCSJUAAHXTUFSP-JRPNMDOOSA-N 1 0 310.398 0.211 10 0 DCAERO 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/nfs/dbraw/zinc/10/76/53/416107653.db2.gz LJBYEFWGZQKZJU-ZDUSSCGKSA-N 1 0 308.444 0.442 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357662545 416113724 /nfs/dbraw/zinc/11/37/24/416113724.db2.gz PZADAPRZLZPOBV-ZDUSSCGKSA-N 1 0 314.430 0.217 10 0 DCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)C(C)C)CC1 ZINC000175816939 416115004 /nfs/dbraw/zinc/11/50/04/416115004.db2.gz NVQQEROZEPZYLH-HUUCEWRRSA-N 1 0 314.474 0.576 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC000175992918 416119397 /nfs/dbraw/zinc/11/93/97/416119397.db2.gz FHGOXTWNWJOQCT-OAHLLOKOSA-N 1 0 305.426 0.581 10 0 DCAERO CCS(=O)(=O)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176035427 416119435 /nfs/dbraw/zinc/11/94/35/416119435.db2.gz MAWKNOVMVXJJSZ-YHWZYXNKSA-N 1 0 317.455 0.736 10 0 DCAERO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)n1 ZINC000328632496 416125584 /nfs/dbraw/zinc/12/55/84/416125584.db2.gz RZQKTUZZCPKAEP-STQMWFEESA-N 1 0 302.382 1.431 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCCn2ncnc21 ZINC000176601693 416128848 /nfs/dbraw/zinc/12/88/48/416128848.db2.gz MMNZZWOHTBWYMM-QWHCGFSZSA-N 1 0 322.413 0.259 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)S(=O)(=O)CC ZINC000176613012 416128857 /nfs/dbraw/zinc/12/88/57/416128857.db2.gz ZVTQIDJJPGSHIQ-LBPRGKRZSA-N 1 0 305.444 0.259 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178120427 416157255 /nfs/dbraw/zinc/15/72/55/416157255.db2.gz WQPIWKJIFJBFQJ-NSHDSACASA-N 1 0 305.382 0.315 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000177700944 416149464 /nfs/dbraw/zinc/14/94/64/416149464.db2.gz CBCKUCZTBNVOAP-ZFWWWQNUSA-N 1 0 324.469 0.528 10 0 DCAERO COCCOCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178602153 416166788 /nfs/dbraw/zinc/16/67/88/416166788.db2.gz SNKKTFYUDUZDLD-ZDUSSCGKSA-N 1 0 306.428 0.149 10 0 DCAERO CCc1nsc(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000178814953 416173910 /nfs/dbraw/zinc/17/39/10/416173910.db2.gz 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416355995 /nfs/dbraw/zinc/35/59/95/416355995.db2.gz ALVPRBCGRCKWMS-RHSMWYFYSA-N 1 0 323.437 0.836 10 0 DCAERO O=C(CCn1cncn1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194653489 416324259 /nfs/dbraw/zinc/32/42/59/416324259.db2.gz JWZBQXPQMYWKAV-UHFFFAOYSA-N 1 0 314.393 0.844 10 0 DCAERO COc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000194868093 416324984 /nfs/dbraw/zinc/32/49/84/416324984.db2.gz APWXXNDOOLNCIW-RISCZKNCSA-N 1 0 307.394 0.913 10 0 DCAERO [NH3+]CC1(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCC1 ZINC000237779564 416328771 /nfs/dbraw/zinc/32/87/71/416328771.db2.gz HOKZBLHEDPTGJV-UHFFFAOYSA-N 1 0 316.361 0.078 10 0 DCAERO [NH3+][C@@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000238011623 416329387 /nfs/dbraw/zinc/32/93/87/416329387.db2.gz CIYTWPJZMKKAGQ-QWHCGFSZSA-N 1 0 311.451 0.932 10 0 DCAERO [NH3+][C@@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000238002018 416329483 /nfs/dbraw/zinc/32/94/83/416329483.db2.gz CIYTWPJZMKKAGQ-STQMWFEESA-N 1 0 311.451 0.932 10 0 DCAERO 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/nfs/dbraw/zinc/13/19/25/417131925.db2.gz PJISHXADYNEZDR-RYUDHWBXSA-N 1 0 307.398 0.936 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000408053739 417135530 /nfs/dbraw/zinc/13/55/30/417135530.db2.gz PIMFPMGSHJRPEY-YCPHGPKFSA-N 1 0 309.410 0.055 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408449531 417160623 /nfs/dbraw/zinc/16/06/23/417160623.db2.gz CYIQTASLABWWMV-DYEKYZERSA-N 1 0 309.410 0.352 10 0 DCAERO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000408405747 417158905 /nfs/dbraw/zinc/15/89/05/417158905.db2.gz RWASQJZVSUPQAC-BFHYXJOUSA-N 1 0 319.471 0.803 10 0 DCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1=O ZINC000408381217 417159338 /nfs/dbraw/zinc/15/93/38/417159338.db2.gz IGGXVTIKNQHKMQ-UPJWGTAASA-N 1 0 317.455 0.446 10 0 DCAERO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[NH+](C2CC2)CC1 ZINC000620749251 417271111 /nfs/dbraw/zinc/27/11/11/417271111.db2.gz MRGJLHWPONJIQP-CQSZACIVSA-N 1 0 320.389 0.935 10 0 DCAERO C[C@@H](O)CCN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000450909202 417282625 /nfs/dbraw/zinc/28/26/25/417282625.db2.gz WDWJSPNUWKKBNI-CXAGYDPISA-N 1 0 317.389 0.954 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000632877354 417285599 /nfs/dbraw/zinc/28/55/99/417285599.db2.gz GNMHILHBCXOVMA-JKSUJKDBSA-N 1 0 323.437 0.711 10 0 DCAERO COCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000450627545 417254490 /nfs/dbraw/zinc/25/44/90/417254490.db2.gz UKPPFLDNYLISJS-GRYCIOLGSA-N 1 0 315.332 0.788 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)CC12COC2 ZINC000451145277 417306658 /nfs/dbraw/zinc/30/66/58/417306658.db2.gz YPUVHPVLQCXWSA-OLZOCXBDSA-N 1 0 312.410 0.755 10 0 DCAERO CCn1nccc1CC[N@@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000643813069 417385620 /nfs/dbraw/zinc/38/56/20/417385620.db2.gz ZEJDFHXLQYATFT-INIZCTEOSA-N 1 0 308.426 0.751 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000633196326 417389357 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CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177491492 658764034 /nfs/dbraw/zinc/76/40/34/658764034.db2.gz UCEYMMRKJFTMGC-GFCCVEGCSA-N 1 0 314.411 0.492 10 0 DCAERO CCOC(=O)[C@]1(C)CC(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000248424451 659106414 /nfs/dbraw/zinc/10/64/14/659106414.db2.gz HSRXJRHOQWZPFI-JJRVBVJISA-N 1 0 323.437 0.914 10 0 DCAERO COc1ccccc1N1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261820082 661728130 /nfs/dbraw/zinc/72/81/30/661728130.db2.gz KCMJHEODBUVFKR-CYBMUJFWSA-N 1 0 319.405 0.898 10 0 DCAERO [NH3+][C@@H]1Cc2ccccc2N(CCn2nc3ccccn3c2=O)C1 ZINC000261825167 661732339 /nfs/dbraw/zinc/73/23/39/661732339.db2.gz WZRZEGOBZQKPPQ-CQSZACIVSA-N 1 0 309.373 0.886 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(CCc3cccs3)CC2)CCOCC1 ZINC000261889317 661797320 /nfs/dbraw/zinc/79/73/20/661797320.db2.gz QHKSIOJMHMCJPP-UHFFFAOYSA-N 1 0 323.462 0.943 10 0 DCAERO CC[NH+](CC)CC1CCN(CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000738071209 662105507 /nfs/dbraw/zinc/10/55/07/662105507.db2.gz 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664040609 /nfs/dbraw/zinc/04/06/09/664040609.db2.gz XBZLUWGSKMMXPE-JJRVBVJISA-N 1 0 323.437 0.493 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000173917328 664633714 /nfs/dbraw/zinc/63/37/14/664633714.db2.gz VTCHQCKAYZMTIW-LLVKDONJSA-N 1 0 305.444 0.545 10 0 DCAERO C[NH+](C)C[C@@H]1CN(Cn2nnc3ccccc3c2=O)CCO1 ZINC000153005332 664787299 /nfs/dbraw/zinc/78/72/99/664787299.db2.gz CACYBZHFYRQJTE-GFCCVEGCSA-N 1 0 303.366 0.011 10 0 DCAERO CC(=O)OC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000153190289 664798878 /nfs/dbraw/zinc/79/88/78/664798878.db2.gz DWXDLVZGMHAKMU-ZDUSSCGKSA-N 1 0 318.439 0.686 10 0 DCAERO C[NH+](C)CCNC(=S)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000731569236 664871764 /nfs/dbraw/zinc/87/17/64/664871764.db2.gz IFWFXYZRRCCXFB-CYBMUJFWSA-N 1 0 306.435 0.818 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000154226188 665100856 /nfs/dbraw/zinc/10/08/56/665100856.db2.gz ODBNZUHJWSYFAN-GFCCVEGCSA-N 1 0 307.398 0.832 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000183344380 666028170 /nfs/dbraw/zinc/02/81/70/666028170.db2.gz SSZKMGGLHBSRKW-QJPTWQEYSA-N 1 0 309.453 0.509 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452171743 666239428 /nfs/dbraw/zinc/23/94/28/666239428.db2.gz RQPBCHFMSDMKIC-SMDDNHRTSA-N 1 0 311.451 0.851 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700902112 666779059 /nfs/dbraw/zinc/77/90/59/666779059.db2.gz NILXMFOORSSWDP-GMTAPVOTSA-N 1 0 306.453 0.021 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(Cn2cncn2)no1 ZINC000702188741 666924002 /nfs/dbraw/zinc/92/40/02/666924002.db2.gz QEHHZCSEUMDCCD-CYBMUJFWSA-N 1 0 313.365 0.841 10 0 DCAERO CCN(CC(=O)NC)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702358188 666940796 /nfs/dbraw/zinc/94/07/96/666940796.db2.gz QOSKLUFYEDXPFJ-CQSZACIVSA-N 1 0 306.410 0.040 10 0 DCAERO COC1CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 ZINC000702830161 667001021 /nfs/dbraw/zinc/00/10/21/667001021.db2.gz JFIOVIZPJRVHMJ-IKWCTNDRSA-N 1 0 300.399 0.981 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]2[NH3+])c1 ZINC000864340484 667245096 /nfs/dbraw/zinc/24/50/96/667245096.db2.gz YOBPQTGDOCHKBH-GHMZBOCLSA-N 1 0 308.773 0.223 10 0 DCAERO [NH3+][C@H]1CCCCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000709031817 667443818 /nfs/dbraw/zinc/44/38/18/667443818.db2.gz DPWKMJOFRKYDGI-NWDGAFQWSA-N 1 0 320.480 0.637 10 0 DCAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710739508 667446055 /nfs/dbraw/zinc/44/60/55/667446055.db2.gz CWNUNTBUNZDEOA-YRGRVCCFSA-N 1 0 302.440 0.782 10 0 DCAERO COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)C[NH2+]CCO1 ZINC000710842322 667446519 /nfs/dbraw/zinc/44/65/19/667446519.db2.gz IIDFAUHDICKZHC-MBNYWOFBSA-N 1 0 300.424 0.488 10 0 DCAERO O=S(=O)(N[C@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000711867879 667548334 /nfs/dbraw/zinc/54/83/34/667548334.db2.gz FRUVVPLMSGEXNQ-HZSPNIEDSA-N 1 0 302.440 0.863 10 0 DCAERO 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ZINC000714359902 670184509 /nfs/dbraw/zinc/18/45/09/670184509.db2.gz PDLKQUGTBOLMSO-VXGBXAGGSA-N 1 0 307.412 0.248 10 0 DCAERO O=C1C[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CN1CC1CC1 ZINC000716790876 670272720 /nfs/dbraw/zinc/27/27/20/670272720.db2.gz CGBKPPJKFZUDDP-OLZOCXBDSA-N 1 0 300.424 0.554 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc12 ZINC000193411466 670280106 /nfs/dbraw/zinc/28/01/06/670280106.db2.gz BOCMQTRHEYMROJ-RNCFNFMXSA-N 1 0 323.422 0.553 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193415944 670281501 /nfs/dbraw/zinc/28/15/01/670281501.db2.gz MBUVKSYOTUJKRH-CBAPKCEASA-N 1 0 306.819 0.658 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C3OCCO3)C2)C1 ZINC000718972518 685306804 /nfs/dbraw/zinc/30/68/04/685306804.db2.gz DQVIUKWVLULHTJ-OLZOCXBDSA-N 1 0 318.439 0.353 10 0 DCAERO C[NH2+]CCCCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000719672573 685310701 /nfs/dbraw/zinc/31/07/01/685310701.db2.gz ISVRNUSGVJJSMU-GFCCVEGCSA-N 1 0 305.444 0.306 10 0 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/nfs/dbraw/zinc/18/57/18/685185718.db2.gz KTAFKISHSBFVTH-RDBSUJKOSA-N 1 0 301.456 0.627 10 0 DCAERO Cc1noc([C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C)n1 ZINC000126522127 1177244706 /nfs/dbraw/zinc/24/47/06/1177244706.db2.gz NWJYIIMSPRHZHF-SMDDNHRTSA-N 1 0 313.402 0.687 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172048587 1183801159 /nfs/dbraw/zinc/80/11/59/1183801159.db2.gz TZVHWMLSOIBRGO-VMZNBEPHSA-N 1 0 323.437 0.206 10 0 DCAERO CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000262547841 1185170361 /nfs/dbraw/zinc/17/03/61/1185170361.db2.gz RYXPREDLZJQPRA-ZIAGYGMSSA-N 1 0 310.442 0.174 10 0 DCAERO Nc1nccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397554974 1190703579 /nfs/dbraw/zinc/70/35/79/1190703579.db2.gz KWALJLQAUUXMGY-UHFFFAOYSA-N 1 0 313.405 0.750 10 0 DCAERO C[C@](O)(C[NH2+][C@H]1CCN(C(N)=O)C1)C(F)(F)C(F)(F)F ZINC000724117713 946766480 /nfs/dbraw/zinc/76/64/80/946766480.db2.gz ZGEVMLVJWJBMKI-XPUUQOCRSA-N 1 0 305.247 0.678 10 0 DCAERO C[C@](O)(C[NH2+][C@@H]1CCN(C(N)=O)C1)C(F)(F)C(F)(F)F ZINC000724117711 946768780 /nfs/dbraw/zinc/76/87/80/946768780.db2.gz ZGEVMLVJWJBMKI-SVRRBLITSA-N 1 0 305.247 0.678 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1cccc(N2CCCC2=O)c1 ZINC000181436631 199296324 /nfs/dbraw/zinc/29/63/24/199296324.db2.gz GHCVBWFDDJCQSY-SNVBAGLBSA-N 1 0 304.350 0.659 10 0 DCAERO O[C@H](C[NH+]1CCN(c2cncc3ncnn32)CC1)c1ccccc1 ZINC000272808719 210210220 /nfs/dbraw/zinc/21/02/20/210210220.db2.gz GMENZESZJBKQOE-OAHLLOKOSA-N 1 0 324.388 0.980 10 0 DCAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181564069 199317599 /nfs/dbraw/zinc/31/75/99/199317599.db2.gz DAKHSXMYNWIDHU-MNOVXSKESA-N 1 0 313.423 0.899 10 0 DCAERO CN(C)c1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cn1 ZINC000187720707 529811787 /nfs/dbraw/zinc/81/17/87/529811787.db2.gz SFQXAMJJEPIMBX-UHFFFAOYSA-N 1 0 320.397 0.034 10 0 DCAERO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000164021343 529920116 /nfs/dbraw/zinc/92/01/16/529920116.db2.gz GKGWVXNYIFUHDV-GFCCVEGCSA-N 1 0 301.456 0.980 10 0 DCAERO Cn1ncc2c1nc(N1CCC([C@H]3CC[NH2+]C3)CC1)nc2N ZINC000333619598 282843477 /nfs/dbraw/zinc/84/34/77/282843477.db2.gz ZGBZDZOWEGIBMV-NSHDSACASA-N 1 0 301.398 0.771 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000173277516 198205917 /nfs/dbraw/zinc/20/59/17/198205917.db2.gz RQSAAFPVGVZEPE-LBPRGKRZSA-N 1 0 321.381 0.758 10 0 DCAERO Cc1cc(N2CC[C@H](N3CCC(CC(N)=O)CC3)C2=O)n(C)n1 ZINC000173536388 198224492 /nfs/dbraw/zinc/22/44/92/198224492.db2.gz QJWBVBADPQZPJF-ZDUSSCGKSA-N 1 0 319.409 0.421 10 0 DCAERO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccsc2)CC1=O ZINC000173901437 198266135 /nfs/dbraw/zinc/26/61/35/198266135.db2.gz SSTJXCFIBCLFOH-ZDUSSCGKSA-N 1 0 309.435 0.817 10 0 DCAERO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4ncnn4C3)C2=O)n1 ZINC000174085260 198288991 /nfs/dbraw/zinc/28/89/91/198288991.db2.gz VQIZYQIWHMMHCV-RYUDHWBXSA-N 1 0 315.381 0.112 10 0 DCAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089092008 545713651 /nfs/dbraw/zinc/71/36/51/545713651.db2.gz UDVWJWFPIPVOIC-SCZZXKLOSA-N 1 0 310.379 0.262 10 0 DCAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182857128 199501537 /nfs/dbraw/zinc/50/15/37/199501537.db2.gz WLXMFNQODATAMD-NSHDSACASA-N 1 0 313.423 0.853 10 0 DCAERO CC[NH2+]CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000236907466 202064850 /nfs/dbraw/zinc/06/48/50/202064850.db2.gz BLURREQPSWLFCM-UHFFFAOYSA-N 1 0 304.438 0.530 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776754 199079049 /nfs/dbraw/zinc/07/90/49/199079049.db2.gz RHEVEVSZDMBHDW-SECBINFHSA-N 1 0 304.350 0.881 10 0 DCAERO CCc1nsc(N2CC[NH+](CC3(O)CCOCC3)CC2)n1 ZINC000153056079 237014703 /nfs/dbraw/zinc/01/47/03/237014703.db2.gz MMMWBMWFXZMJIY-UHFFFAOYSA-N 1 0 312.439 0.764 10 0 DCAERO Cc1nc2c(cnn2C)c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000171544404 237134267 /nfs/dbraw/zinc/13/42/67/237134267.db2.gz AITQEJILGPQZEC-GHMZBOCLSA-N 1 0 304.398 0.563 10 0 DCAERO CNC(=O)CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000187792674 200157220 /nfs/dbraw/zinc/15/72/20/200157220.db2.gz AYPNOELMPICURC-UHFFFAOYSA-N 1 0 311.426 0.521 10 0 DCAERO Cc1cc(=O)[nH]cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188679064 237376397 /nfs/dbraw/zinc/37/63/97/237376397.db2.gz KPDFUGYVYPWHPI-LBPRGKRZSA-N 1 0 307.394 0.601 10 0 DCAERO O=C(NCCNC(=O)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188305674 200225173 /nfs/dbraw/zinc/22/51/73/200225173.db2.gz JGCNVLLJJVXODG-UHFFFAOYSA-N 1 0 313.361 0.215 10 0 DCAERO O=C(NCc1nnc2n1CCCCC2)c1[nH]nc2c1C[NH2+]CC2 ZINC000188696613 200290134 /nfs/dbraw/zinc/29/01/34/200290134.db2.gz KJONJKXAVCFXCI-UHFFFAOYSA-N 1 0 315.381 0.303 10 0 DCAERO COCCOCCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000156929523 291226475 /nfs/dbraw/zinc/22/64/75/291226475.db2.gz DPVAEEWCGIFIEN-UHFFFAOYSA-N 1 0 301.431 0.230 10 0 DCAERO CN(C)C(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cn1 ZINC000262517807 238176099 /nfs/dbraw/zinc/17/60/99/238176099.db2.gz KJHVWRKHRMMEHC-BLLLJJGKSA-N 1 0 319.409 0.690 10 0 DCAERO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)OCC(=O)N2 ZINC000566213624 291283108 /nfs/dbraw/zinc/28/31/08/291283108.db2.gz YSZYINUGUJLVDI-LLVKDONJSA-N 1 0 305.334 0.126 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(O)cc2)CC1 ZINC000425180880 240301973 /nfs/dbraw/zinc/30/19/73/240301973.db2.gz WXDXTZPAQKNWQA-UHFFFAOYSA-N 1 0 313.423 0.308 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000091667160 193088178 /nfs/dbraw/zinc/08/81/78/193088178.db2.gz JSQOTVXZDHLOOS-WCQYABFASA-N 1 0 313.423 0.315 10 0 DCAERO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000122160106 284098178 /nfs/dbraw/zinc/09/81/78/284098178.db2.gz YNVJWPTXQXHSIQ-KGLIPLIRSA-N 1 0 301.394 0.923 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000094340980 193361812 /nfs/dbraw/zinc/36/18/12/193361812.db2.gz JVXWAADZIJEUHI-GWCFXTLKSA-N 1 0 311.407 0.404 10 0 DCAERO CCCc1nnc(N2C(=O)C[C@H](SCC[NH3+])C2=O)s1 ZINC000016900688 182063254 /nfs/dbraw/zinc/06/32/54/182063254.db2.gz QTTOJRGGPXEOMK-ZETCQYMHSA-N 1 0 300.409 0.814 10 0 DCAERO CCCS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000019677301 182135757 /nfs/dbraw/zinc/13/57/57/182135757.db2.gz YWHOXWRFBYCJAI-RYUDHWBXSA-N 1 0 305.444 0.244 10 0 DCAERO CC(=O)c1cnc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)s1 ZINC000572599320 291577998 /nfs/dbraw/zinc/57/79/98/291577998.db2.gz YOUPYGPCJKHKFM-VIFPVBQESA-N 1 0 320.378 0.942 10 0 DCAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000020014707 182178299 /nfs/dbraw/zinc/17/82/99/182178299.db2.gz SOFKGNCWSIQRDD-ZETCQYMHSA-N 1 0 310.297 0.804 10 0 DCAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCN1CCOCC1 ZINC000574621602 291705224 /nfs/dbraw/zinc/70/52/24/291705224.db2.gz RQNZXVYONBBHGC-UHFFFAOYSA-N 1 0 301.394 0.748 10 0 DCAERO CN1CCO[C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000104782328 194039730 /nfs/dbraw/zinc/03/97/30/194039730.db2.gz RGVGIJJTMTVVFJ-MRXNPFEDSA-N 1 0 320.437 0.878 10 0 DCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000104959868 194058440 /nfs/dbraw/zinc/05/84/40/194058440.db2.gz GEGZZNKFCPOQPD-WDEREUQCSA-N 1 0 310.398 0.293 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccon3)CC2)C1 ZINC000105818462 194136104 /nfs/dbraw/zinc/13/61/04/194136104.db2.gz HPMOSJDWYANBRZ-AWEZNQCLSA-N 1 0 322.409 0.542 10 0 DCAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NCCCOC)CC2 ZINC000105873234 194153507 /nfs/dbraw/zinc/15/35/07/194153507.db2.gz SGOQJZAVHVNJFW-RYUDHWBXSA-N 1 0 309.414 0.286 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCCN1C(=O)CCC1=O ZINC000106331453 194197828 /nfs/dbraw/zinc/19/78/28/194197828.db2.gz CAMIAVVZDZSAHG-GFCCVEGCSA-N 1 0 312.414 0.555 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000408237226 284783521 /nfs/dbraw/zinc/78/35/21/284783521.db2.gz MUGFSYSGFZMMBT-HZSPNIEDSA-N 1 0 319.471 0.757 10 0 DCAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000109327057 194257868 /nfs/dbraw/zinc/25/78/68/194257868.db2.gz UFURNYGJQNPTKR-ZDUSSCGKSA-N 1 0 312.439 0.755 10 0 DCAERO CCc1nc(N2CCN(S(C)(=O)=O)CC2)sc1C[NH3+] ZINC000062097758 184205834 /nfs/dbraw/zinc/20/58/34/184205834.db2.gz VXKOWCPVPXAMOX-UHFFFAOYSA-N 1 0 304.441 0.246 10 0 DCAERO COc1ccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000333160623 252688980 /nfs/dbraw/zinc/68/89/80/252688980.db2.gz LWBHPXKOUWJCTQ-ZDUSSCGKSA-N 1 0 319.409 0.910 10 0 DCAERO CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333769295 252762390 /nfs/dbraw/zinc/76/23/90/252762390.db2.gz BTNCJXKYNCYPEQ-OAHLLOKOSA-N 1 0 312.458 0.881 10 0 DCAERO CC(=O)N1CCN(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000350946829 254330617 /nfs/dbraw/zinc/33/06/17/254330617.db2.gz CPQDWDPZBCSEPO-MRXNPFEDSA-N 1 0 324.469 0.531 10 0 DCAERO COc1cnccc1[C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000187496632 533146670 /nfs/dbraw/zinc/14/66/70/533146670.db2.gz DVNPZFCFCDIBGJ-NHYWBVRUSA-N 1 0 310.398 0.763 10 0 DCAERO CN(C)C(=O)CN1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2C1=O ZINC000247960674 257112504 /nfs/dbraw/zinc/11/25/04/257112504.db2.gz FDNYWJYOCJXPND-TZMCWYRMSA-N 1 0 305.378 0.648 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccco1)C2 ZINC000247523469 257119677 /nfs/dbraw/zinc/11/96/77/257119677.db2.gz MDQAJTBZLSCZDJ-WCQYABFASA-N 1 0 300.380 0.277 10 0 DCAERO O=C(N[C@@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000247415300 257119826 /nfs/dbraw/zinc/11/98/26/257119826.db2.gz QEZLTJDCEUEEET-RBSFLKMASA-N 1 0 302.378 0.848 10 0 DCAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CSc1nnc(N)s1)C2 ZINC000000136089 257266413 /nfs/dbraw/zinc/26/64/13/257266413.db2.gz UDRFOWJFGHTQTC-CBLAIPOGSA-N 1 0 313.452 0.954 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000174774754 285395465 /nfs/dbraw/zinc/39/54/65/285395465.db2.gz QIDAKDUIADMQQQ-RDBSUJKOSA-N 1 0 312.458 0.241 10 0 DCAERO Cn1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C)cn1 ZINC000283553959 131002432 /nfs/dbraw/zinc/00/24/32/131002432.db2.gz QCVZFDDFMRTXHL-ZDUSSCGKSA-N 1 0 301.398 0.890 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CCN(c3nnnn3-c3ccccc3)C[C@@H]21 ZINC000284392038 131076533 /nfs/dbraw/zinc/07/65/33/131076533.db2.gz AFHYDBVVSFQFSN-UONOGXRCSA-N 1 0 300.366 0.572 10 0 DCAERO COc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000285608835 131186292 /nfs/dbraw/zinc/18/62/92/131186292.db2.gz CVNGLCYILPOUEP-QWHCGFSZSA-N 1 0 306.362 0.946 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262909189 285596332 /nfs/dbraw/zinc/59/63/32/285596332.db2.gz QMWHISZACBUSDQ-ZIAGYGMSSA-N 1 0 305.378 0.662 10 0 DCAERO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3csnn3)C2)CC1 ZINC000015066130 395689780 /nfs/dbraw/zinc/68/97/80/395689780.db2.gz BAXVQTIWAJLHQK-NSHDSACASA-N 1 0 309.439 0.827 10 0 DCAERO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000037212775 395726085 /nfs/dbraw/zinc/72/60/85/395726085.db2.gz KDAGFKFJFVVXKH-GFCCVEGCSA-N 1 0 313.423 0.317 10 0 DCAERO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(=O)n(C)c1=O ZINC000093438398 395738459 /nfs/dbraw/zinc/73/84/59/395738459.db2.gz WAFJUIPNYWBTLG-CYBMUJFWSA-N 1 0 303.366 0.534 10 0 DCAERO CN(Cc1cnn(C)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000046750570 395779465 /nfs/dbraw/zinc/77/94/65/395779465.db2.gz SSVXKZMZWXZMLK-UHFFFAOYSA-N 1 0 309.414 0.674 10 0 DCAERO CC[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000270490465 395776190 /nfs/dbraw/zinc/77/61/90/395776190.db2.gz AQYAFWONCRHBSI-TYNCELHUSA-N 1 0 318.373 0.346 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000194688489 395804213 /nfs/dbraw/zinc/80/42/13/395804213.db2.gz RSSJXFOFDVTFDM-ZDUSSCGKSA-N 1 0 311.332 0.905 10 0 DCAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CN1CCCC1=O ZINC000111683015 395811829 /nfs/dbraw/zinc/81/18/29/395811829.db2.gz RLQBQLJJSKOEPM-ZDUSSCGKSA-N 1 0 306.362 0.830 10 0 DCAERO COc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000112548596 395818686 /nfs/dbraw/zinc/81/86/86/395818686.db2.gz 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395850332 /nfs/dbraw/zinc/85/03/32/395850332.db2.gz MYUIIWUKJXWWFE-CQSZACIVSA-N 1 0 305.378 0.205 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811497 395798896 /nfs/dbraw/zinc/79/88/96/395798896.db2.gz DPKOTVNLHUEQAL-OCCSQVGLSA-N 1 0 310.442 0.138 10 0 DCAERO CC[C@@H](COC)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000133260659 395929120 /nfs/dbraw/zinc/92/91/20/395929120.db2.gz KAJAUCWMBQDNOS-AWEZNQCLSA-N 1 0 306.410 0.988 10 0 DCAERO CC[C@H](COC)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000133260843 395929367 /nfs/dbraw/zinc/92/93/67/395929367.db2.gz KAJAUCWMBQDNOS-CQSZACIVSA-N 1 0 306.410 0.988 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NCCN1CC[NH2+]CC1 ZINC000236593042 395894249 /nfs/dbraw/zinc/89/42/49/395894249.db2.gz FZCBPKPDRIPYMH-UHFFFAOYSA-N 1 0 321.469 0.720 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CC[C@@H](C[NH+](C)C)C3)C2=O)n(C)n1 ZINC000245467208 395929500 /nfs/dbraw/zinc/92/95/00/395929500.db2.gz ZKSOOWQKNVWGAP-UONOGXRCSA-N 1 0 305.426 0.717 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)Cn2nc3ccccn3c2=O)CC[N@@H+]1C ZINC000123846127 395897183 /nfs/dbraw/zinc/89/71/83/395897183.db2.gz BETNCKZBQPWQNZ-STQMWFEESA-N 1 0 317.393 0.437 10 0 DCAERO C[NH2+]C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000237152728 395904659 /nfs/dbraw/zinc/90/46/59/395904659.db2.gz DWSTZOPMIUZRRR-UHFFFAOYSA-N 1 0 301.346 0.736 10 0 DCAERO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237145419 395904696 /nfs/dbraw/zinc/90/46/96/395904696.db2.gz IHRCUDRSYQREIO-RDBSUJKOSA-N 1 0 309.410 0.224 10 0 DCAERO CC[C@@H](C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)[NH+](C)C ZINC000125925177 395908579 /nfs/dbraw/zinc/90/85/79/395908579.db2.gz OXUQAHOYQCREDT-STQMWFEESA-N 1 0 317.455 0.353 10 0 DCAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994310 395908930 /nfs/dbraw/zinc/90/89/30/395908930.db2.gz WCTZXMDMWHVHMT-KGLIPLIRSA-N 1 0 311.426 0.472 10 0 DCAERO C[NH2+]CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000237301566 395909630 /nfs/dbraw/zinc/90/96/30/395909630.db2.gz BSQASNGSSAONAJ-UHFFFAOYSA-N 1 0 304.394 0.161 10 0 DCAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2 ZINC000245493894 395930612 /nfs/dbraw/zinc/93/06/12/395930612.db2.gz MKNZKKOCJKPXFU-KFWWJZLASA-N 1 0 324.469 0.526 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000225840791 395863693 /nfs/dbraw/zinc/86/36/93/395863693.db2.gz FXMRXUVPTGFQJY-CHWSQXEVSA-N 1 0 324.381 0.675 10 0 DCAERO NC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000228688937 395872660 /nfs/dbraw/zinc/87/26/60/395872660.db2.gz DMLZKNFUNPKSQE-GMSGAONNSA-N 1 0 323.176 0.169 10 0 DCAERO Cn1cc([C@@]2(C)CN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC000119924524 395879199 /nfs/dbraw/zinc/87/91/99/395879199.db2.gz JPDKQPLBLCHSKK-GOEBONIOSA-N 1 0 321.425 0.771 10 0 DCAERO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000272290299 395881504 /nfs/dbraw/zinc/88/15/04/395881504.db2.gz BLVYRNZDKVZUFQ-CABCVRRESA-N 1 0 320.441 0.892 10 0 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/nfs/dbraw/zinc/94/97/94/395949794.db2.gz NDIZUHSZMBDONJ-WCQYABFASA-N 1 0 320.393 0.874 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@H]1CN1CCOCC1)CS(C)(=O)=O ZINC000246469732 395950687 /nfs/dbraw/zinc/95/06/87/395950687.db2.gz GORJGTMRQNLWNO-KGLIPLIRSA-N 1 0 304.456 0.464 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)cc(O)cc1=O ZINC000246562421 395952844 /nfs/dbraw/zinc/95/28/44/395952844.db2.gz RJMSKAJQTOMZJG-KBPBESRZSA-N 1 0 319.405 0.948 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000246809712 395957600 /nfs/dbraw/zinc/95/76/00/395957600.db2.gz DGJCXLLCUSSXIE-WDEREUQCSA-N 1 0 310.398 0.162 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000247274203 395970632 /nfs/dbraw/zinc/97/06/32/395970632.db2.gz SFPIBLKGTQRHJK-RBSFLKMASA-N 1 0 313.442 0.948 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247376376 395972626 /nfs/dbraw/zinc/97/26/26/395972626.db2.gz VJGAIZDAGLHDEE-UONOGXRCSA-N 1 0 311.426 0.470 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247486893 395975167 /nfs/dbraw/zinc/97/51/67/395975167.db2.gz TXVDCMQFOYMBJS-ZIAGYGMSSA-N 1 0 310.442 0.140 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000247560206 395976689 /nfs/dbraw/zinc/97/66/89/395976689.db2.gz ZYUGBCSHPLEXQT-FVQBIDKESA-N 1 0 322.453 0.282 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000248046715 395982313 /nfs/dbraw/zinc/98/23/13/395982313.db2.gz VGOFPZWHXKOCLF-KEYYUXOJSA-N 1 0 323.437 0.337 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000248430338 395987110 /nfs/dbraw/zinc/98/71/10/395987110.db2.gz RQQNUOMWRMSTPG-GXTWGEPZSA-N 1 0 321.425 0.727 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992045 /nfs/dbraw/zinc/99/20/45/395992045.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 1 0 314.474 0.815 10 0 DCAERO CC(C)[C@@H](O)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000153253932 396022866 /nfs/dbraw/zinc/02/28/66/396022866.db2.gz YINQYEUOYZZPGV-GJZGRUSLSA-N 1 0 314.474 0.575 10 0 DCAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000252656309 396022934 /nfs/dbraw/zinc/02/29/34/396022934.db2.gz CQVBYVCBGCMDKO-GXTWGEPZSA-N 1 0 302.378 0.737 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000253195771 396025534 /nfs/dbraw/zinc/02/55/34/396025534.db2.gz RXUZAHZQUPSYSA-WUHRBBMRSA-N 1 0 305.444 0.257 10 0 DCAERO CCn1cc(C[N@@H+]2C[C@@H](COC)[C@H](C(=O)NC3CC3)C2)cn1 ZINC000253400147 396027251 /nfs/dbraw/zinc/02/72/51/396027251.db2.gz DRAACSGCBLYCBZ-DZGCQCFKSA-N 1 0 306.410 0.876 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000253552136 396030486 /nfs/dbraw/zinc/03/04/86/396030486.db2.gz WLSXGAWOAFXHON-JHJVBQTASA-N 1 0 300.399 0.129 10 0 DCAERO CNC(=O)[C@H]1CCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)C1 ZINC000067713327 396031737 /nfs/dbraw/zinc/03/17/37/396031737.db2.gz MPLNAZJGFQZMNJ-ZDUSSCGKSA-N 1 0 303.410 0.824 10 0 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GGGHJNWRMSKBHJ-KGLIPLIRSA-N 1 0 312.410 0.288 10 0 DCAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000158354967 396064769 /nfs/dbraw/zinc/06/47/69/396064769.db2.gz MVWZHFRZOBFNQY-CHWSQXEVSA-N 1 0 312.414 0.017 10 0 DCAERO CCn1nc(CN(C)CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000261781891 396065304 /nfs/dbraw/zinc/06/53/04/396065304.db2.gz RWAXBUWOFUSMLZ-UHFFFAOYSA-N 1 0 315.421 0.920 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1)N1CCOCC1 ZINC000249108167 396003065 /nfs/dbraw/zinc/00/30/65/396003065.db2.gz LHSYPRKWLNMWHW-ZIAGYGMSSA-N 1 0 309.410 0.226 10 0 DCAERO CSC[C@H](O)C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000249439565 396008337 /nfs/dbraw/zinc/00/83/37/396008337.db2.gz JNXYRLCYBMAUOM-HUUCEWRRSA-N 1 0 301.500 0.812 10 0 DCAERO [NH3+]CC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCOCC1 ZINC000261976949 396085736 /nfs/dbraw/zinc/08/57/36/396085736.db2.gz RFRWOBAGQIGZOP-UHFFFAOYSA-N 1 0 321.377 0.320 10 0 DCAERO [NH3+][C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000261989476 396087304 /nfs/dbraw/zinc/08/73/04/396087304.db2.gz MRRFIYRXTFKIFM-UWVGGRQHSA-N 1 0 323.315 0.020 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)NCCOc1ccc(F)cc1F ZINC000262024423 396091666 /nfs/dbraw/zinc/09/16/66/396091666.db2.gz DESYZPBCNNFMMF-LLVKDONJSA-N 1 0 300.305 0.838 10 0 DCAERO O=C(NCCN1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000069894380 396093706 /nfs/dbraw/zinc/09/37/06/396093706.db2.gz LPYWWPKTKUIQNA-INIZCTEOSA-N 1 0 324.469 0.979 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCN2c3ccccc3OCC2=O)C1 ZINC000170859536 396099524 /nfs/dbraw/zinc/09/95/24/396099524.db2.gz XECDIUUVOCRHLI-CYBMUJFWSA-N 1 0 317.389 0.965 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860422 396099543 /nfs/dbraw/zinc/09/95/43/396099543.db2.gz XMKZFDHJSPJNHA-NSHDSACASA-N 1 0 311.407 0.419 10 0 DCAERO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)N1CCOCC1 ZINC000262117843 396101509 /nfs/dbraw/zinc/10/15/09/396101509.db2.gz BOBTZMIOBZNBLN-HNNXBMFYSA-N 1 0 319.405 0.500 10 0 DCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCOCC3)CCO2)c1 ZINC000262161740 396105858 /nfs/dbraw/zinc/10/58/58/396105858.db2.gz XYHOJWFWBQHYPM-GJZGRUSLSA-N 1 0 322.409 0.173 10 0 DCAERO Cc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(F)cc1F ZINC000175791143 396142474 /nfs/dbraw/zinc/14/24/74/396142474.db2.gz HUNGHLHXAFWCBN-SNVBAGLBSA-N 1 0 320.361 0.882 10 0 DCAERO CC[NH2+][C@H](C)CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000262458415 396142588 /nfs/dbraw/zinc/14/25/88/396142588.db2.gz LTSHWEOIESGKDY-GFCCVEGCSA-N 1 0 324.425 0.698 10 0 DCAERO CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CCN1CCOC ZINC000262267832 396116618 /nfs/dbraw/zinc/11/66/18/396116618.db2.gz MRWGYEMTQMNUSW-AWEZNQCLSA-N 1 0 313.442 0.311 10 0 DCAERO C[C@H](CNC(=O)NC[C@H](CO)c1ccccc1)N1CCOCC1 ZINC000175772477 396142690 /nfs/dbraw/zinc/14/26/90/396142690.db2.gz ABFXOQAUWDASAM-GDBMZVCRSA-N 1 0 321.421 0.782 10 0 DCAERO C[C@@H](C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309254 396121294 /nfs/dbraw/zinc/12/12/94/396121294.db2.gz CSGLETYRSARVAC-CTASWTNQSA-N 1 0 309.454 0.942 10 0 DCAERO [NH3+]CC1(C(=O)NCc2cccc(-n3cncn3)c2)CCOCC1 ZINC000262322594 396123905 /nfs/dbraw/zinc/12/39/05/396123905.db2.gz RLXQGNABJJTXQR-UHFFFAOYSA-N 1 0 315.377 0.639 10 0 DCAERO NS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171807033 396125485 /nfs/dbraw/zinc/12/54/85/396125485.db2.gz FXIJLYOGDCIPFV-LBPRGKRZSA-N 1 0 324.406 0.646 10 0 DCAERO CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@@H](C)C[NH3+])C2)no1 ZINC000262330339 396125512 /nfs/dbraw/zinc/12/55/12/396125512.db2.gz GOABJLAOKPDTPX-RYUDHWBXSA-N 1 0 309.414 0.821 10 0 DCAERO CC1CCC(N2C[C@H](C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)CC2=O)CC1 ZINC000262380906 396133493 /nfs/dbraw/zinc/13/34/93/396133493.db2.gz XAVLJFVBADPERS-OYNNJRIESA-N 1 0 323.437 0.110 10 0 DCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262392627 396135069 /nfs/dbraw/zinc/13/50/69/396135069.db2.gz BKPKTTIKHBTGEF-LSSIXWDNSA-N 1 0 312.410 0.786 10 0 DCAERO COC(=O)CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262433016 396139650 /nfs/dbraw/zinc/13/96/50/396139650.db2.gz RUWNPVWPUVDRSH-AAEUAGOBSA-N 1 0 308.334 0.290 10 0 DCAERO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261894182 396076327 /nfs/dbraw/zinc/07/63/27/396076327.db2.gz GWNHETQGKVSZJO-XHSDSOJGSA-N 1 0 311.470 0.844 10 0 DCAERO C[C@@H]1C[C@@H]1CNC(=O)C[C@]1(C(=O)NC[C@H]2C[C@H]2C)CC[NH2+]C1 ZINC000261906405 396078135 /nfs/dbraw/zinc/07/81/35/396078135.db2.gz HBNFNLNQDJRUFG-CVXDVXMKSA-N 1 0 307.438 0.901 10 0 DCAERO Cc1ncc(CN2CCN(C(=O)C3([NH3+])CCOCC3)CC2)s1 ZINC000261917846 396079783 /nfs/dbraw/zinc/07/97/83/396079783.db2.gz UQEPBAAQVKXNJE-UHFFFAOYSA-N 1 0 324.450 0.604 10 0 DCAERO CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263215570 396206053 /nfs/dbraw/zinc/20/60/53/396206053.db2.gz KVLGFEZWGIPKNH-GXTWGEPZSA-N 1 0 319.471 0.682 10 0 DCAERO CCc1n[nH]c(=O)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1CC ZINC000263222100 396206868 /nfs/dbraw/zinc/20/68/68/396206868.db2.gz MAGLGUJIDHUVNV-LLVKDONJSA-N 1 0 318.381 0.521 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Cl)cc1-n1cncn1 ZINC000263243841 396208484 /nfs/dbraw/zinc/20/84/84/396208484.db2.gz PAPDTXFBAIDQDV-FZMZJTMJSA-N 1 0 307.785 0.591 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000263241317 396208615 /nfs/dbraw/zinc/20/86/15/396208615.db2.gz LGAYWKZZJNRPAW-LBPRGKRZSA-N 1 0 303.366 0.409 10 0 DCAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[C@@H](C)O ZINC000176082623 396149562 /nfs/dbraw/zinc/14/95/62/396149562.db2.gz WUOQNIVLCOSDBV-GFCCVEGCSA-N 1 0 307.394 0.882 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000262536384 396152350 /nfs/dbraw/zinc/15/23/50/396152350.db2.gz QKPJAKUNDJRNNJ-TZMCWYRMSA-N 1 0 323.418 0.419 10 0 DCAERO COC[C@](C)(CCO)[NH2+]C[C@H](O)COc1ccccc1F ZINC000176386856 396154722 /nfs/dbraw/zinc/15/47/22/396154722.db2.gz OOFSLZYOYUFFGT-WFASDCNBSA-N 1 0 301.358 0.943 10 0 DCAERO CCCNC(=O)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262558891 396155321 /nfs/dbraw/zinc/15/53/21/396155321.db2.gz UVXDRMMIOJWFCV-NORZTCDRSA-N 1 0 311.426 0.551 10 0 DCAERO Cc1nnnn1-c1cc(NC(=O)[C@H](C)C2C[NH2+]C2)ccc1F ZINC000262567784 396155900 /nfs/dbraw/zinc/15/59/00/396155900.db2.gz RYDIAAFHSOPQEF-MRVPVSSYSA-N 1 0 304.329 0.904 10 0 DCAERO CCc1n[nH]c(=O)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1CC ZINC000176574306 396157531 /nfs/dbraw/zinc/15/75/31/396157531.db2.gz UXAKVDCNFHWFSV-NSHDSACASA-N 1 0 304.394 0.815 10 0 DCAERO COc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1OCC(N)=O ZINC000262631978 396165405 /nfs/dbraw/zinc/16/54/05/396165405.db2.gz WPOJOVLWAUQAMP-NXEZZACHSA-N 1 0 307.350 0.625 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])n1C ZINC000262644909 396167443 /nfs/dbraw/zinc/16/74/43/396167443.db2.gz UPFCUFBWWYOVPI-QWHCGFSZSA-N 1 0 308.430 0.189 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NCCNC(=O)c2ccc(O)cc2)CC[NH2+]1 ZINC000262698249 396173762 /nfs/dbraw/zinc/17/37/62/396173762.db2.gz FOFXBMRMAAXGDF-AAEUAGOBSA-N 1 0 305.378 0.626 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262772582 396180831 /nfs/dbraw/zinc/18/08/31/396180831.db2.gz MQCFJPZTIMETKD-RKDXNWHRSA-N 1 0 318.420 0.811 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000262810699 396183589 /nfs/dbraw/zinc/18/35/89/396183589.db2.gz XYCWHVMGIXCUGX-VXNVDRBHSA-N 1 0 304.803 0.594 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262909187 396191121 /nfs/dbraw/zinc/19/11/21/396191121.db2.gz QMWHISZACBUSDQ-UONOGXRCSA-N 1 0 305.378 0.662 10 0 DCAERO Cc1ccn(C[C@@](C)(O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(=O)c1 ZINC000280376598 396196992 /nfs/dbraw/zinc/19/69/92/396196992.db2.gz DDVIYPKKAZRAAU-WMLDXEAASA-N 1 0 319.405 0.214 10 0 DCAERO Cc1ccn(C[C@@](C)(O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(=O)c1 ZINC000280376591 396197068 /nfs/dbraw/zinc/19/70/68/396197068.db2.gz DDVIYPKKAZRAAU-RHSMWYFYSA-N 1 0 319.405 0.214 10 0 DCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000178581298 396200150 /nfs/dbraw/zinc/20/01/50/396200150.db2.gz HOAMTHGEGFLRSD-SNVBAGLBSA-N 1 0 324.410 0.308 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000178694381 396204714 /nfs/dbraw/zinc/20/47/14/396204714.db2.gz LENDUCKBHCUVBT-VIFPVBQESA-N 1 0 304.799 0.967 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC(C)(C)CO)C[C@H]1C ZINC000180761062 396234534 /nfs/dbraw/zinc/23/45/34/396234534.db2.gz WHSIQEHQEIWZBY-ZIAGYGMSSA-N 1 0 315.458 0.882 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181523545 396239773 /nfs/dbraw/zinc/23/97/73/396239773.db2.gz KSJCCAHPMWAERP-WZRBSPASSA-N 1 0 322.409 0.354 10 0 DCAERO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000182041922 396246166 /nfs/dbraw/zinc/24/61/66/396246166.db2.gz OSSQFJQGCVCHNU-ROUUACIJSA-N 1 0 322.449 0.869 10 0 DCAERO C[C@@H](C[S@](C)=O)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000182276572 396248817 /nfs/dbraw/zinc/24/88/17/396248817.db2.gz GJHPUDRYOYUFEZ-YUNKPMOVSA-N 1 0 305.444 0.165 10 0 DCAERO O=C(Cn1cnc2sccc2c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264273451 396265169 /nfs/dbraw/zinc/26/51/69/396265169.db2.gz AWXANPNIMORMKI-NSHDSACASA-N 1 0 318.402 0.765 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000183280659 396265592 /nfs/dbraw/zinc/26/55/92/396265592.db2.gz ZEKNBNPIKBAEHJ-CHWSQXEVSA-N 1 0 310.423 0.612 10 0 DCAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCN(C(N)=O)CC1 ZINC000183609803 396271820 /nfs/dbraw/zinc/27/18/20/396271820.db2.gz ZCPQVFHNSBTKRA-CYBMUJFWSA-N 1 0 324.812 0.823 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000178941446 396215244 /nfs/dbraw/zinc/21/52/44/396215244.db2.gz BDPNXYDJRBRTSP-GFCCVEGCSA-N 1 0 303.366 0.284 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171277 396223119 /nfs/dbraw/zinc/22/31/19/396223119.db2.gz FUTNGLSOBUMRJA-OLZOCXBDSA-N 1 0 308.382 0.364 10 0 DCAERO COc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1Cl ZINC000179181095 396223481 /nfs/dbraw/zinc/22/34/81/396223481.db2.gz PXSYIHUYUUPOOZ-MNOVXSKESA-N 1 0 314.769 0.715 10 0 DCAERO CCC[C@H](C)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000179629157 396228290 /nfs/dbraw/zinc/22/82/90/396228290.db2.gz VZHAPFWBVSXZAC-AWEZNQCLSA-N 1 0 311.426 0.426 10 0 DCAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)on2)cn1 ZINC000185011855 396314467 /nfs/dbraw/zinc/31/44/67/396314467.db2.gz IOWYEPVZZGRFPX-AWEZNQCLSA-N 1 0 317.393 0.982 10 0 DCAERO CCn1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000080735223 396285524 /nfs/dbraw/zinc/28/55/24/396285524.db2.gz XFEOUGVZMMYDSA-LBPRGKRZSA-N 1 0 300.428 0.913 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185141721 396319884 /nfs/dbraw/zinc/31/98/84/396319884.db2.gz LGFSZYSLPPEQCZ-OLZOCXBDSA-N 1 0 318.373 0.490 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185635903 396332060 /nfs/dbraw/zinc/33/20/60/396332060.db2.gz WFEVZPJQKFYMPG-NSHDSACASA-N 1 0 305.353 0.877 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185924332 396337276 /nfs/dbraw/zinc/33/72/76/396337276.db2.gz DJFLQICCYXCQLX-KRWDZBQOSA-N 1 0 324.469 0.705 10 0 DCAERO CN1C[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CCC1=O ZINC000185931363 396337544 /nfs/dbraw/zinc/33/75/44/396337544.db2.gz CRNNKZJWSMYIAK-OLZOCXBDSA-N 1 0 309.797 0.947 10 0 DCAERO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000185936459 396337664 /nfs/dbraw/zinc/33/76/64/396337664.db2.gz XHBHEZUDCRBBOD-SWLSCSKDSA-N 1 0 300.399 0.273 10 0 DCAERO CCO[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCOCC2 ZINC000186283037 396346850 /nfs/dbraw/zinc/34/68/50/396346850.db2.gz MDSXDKFRRISSDD-RYUDHWBXSA-N 1 0 306.428 0.099 10 0 DCAERO Cc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(C)n1 ZINC000187005039 396362055 /nfs/dbraw/zinc/36/20/55/396362055.db2.gz NYCPIJQCDJYHLA-CYBMUJFWSA-N 1 0 312.439 0.704 10 0 DCAERO COc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000187409521 396369262 /nfs/dbraw/zinc/36/92/62/396369262.db2.gz 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396384265 /nfs/dbraw/zinc/38/42/65/396384265.db2.gz WJAQNXMEBCGOHR-CYBMUJFWSA-N 1 0 317.389 0.935 10 0 DCAERO O=C(CSc1nnnn1C1CC1)N1CC[NH+]2CCC1CC2 ZINC000188639438 396384286 /nfs/dbraw/zinc/38/42/86/396384286.db2.gz STGPQDHJLULBIJ-UHFFFAOYSA-N 1 0 308.411 0.407 10 0 DCAERO C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH+]3CCC1CC3)CS2 ZINC000188644836 396384338 /nfs/dbraw/zinc/38/43/38/396384338.db2.gz GHHNVSUSODIUSI-IUODEOHRSA-N 1 0 309.435 0.747 10 0 DCAERO COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000286291255 396386170 /nfs/dbraw/zinc/38/61/70/396386170.db2.gz TWWHLBBKZXXCRL-IUODEOHRSA-N 1 0 319.405 0.502 10 0 DCAERO O=C(NC[C@@H](CO)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188938637 396389101 /nfs/dbraw/zinc/38/91/01/396389101.db2.gz QXBMNLOXZIEEDA-LBPRGKRZSA-N 1 0 300.362 0.561 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000190288564 396404135 /nfs/dbraw/zinc/40/41/35/396404135.db2.gz BMSLENKTZRRWAE-DGAVXFQQSA-N 1 0 302.440 0.910 10 0 DCAERO COCCCN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000193179964 396445469 /nfs/dbraw/zinc/44/54/69/396445469.db2.gz IWUNEXHUGOURAZ-VXGBXAGGSA-N 1 0 306.428 0.166 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)oc1C ZINC000193397262 396450280 /nfs/dbraw/zinc/45/02/80/396450280.db2.gz GDCZFURRTXIODJ-GZMMTYOYSA-N 1 0 316.379 0.651 10 0 DCAERO CCn1ncnc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000193438760 396451552 /nfs/dbraw/zinc/45/15/52/396451552.db2.gz KHSBEEJGRGHKEG-HNNXBMFYSA-N 1 0 306.458 0.900 10 0 DCAERO CCCC[NH+]1CCC(NC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000371982437 396481826 /nfs/dbraw/zinc/48/18/26/396481826.db2.gz AKDDOVIGRGYMBW-MRXNPFEDSA-N 1 0 324.469 0.977 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372551844 396526562 /nfs/dbraw/zinc/52/65/62/396526562.db2.gz ILRPEBKOYXJSQX-CQSZACIVSA-N 1 0 311.426 0.303 10 0 DCAERO O=C(CN1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000372897648 396552448 /nfs/dbraw/zinc/55/24/48/396552448.db2.gz OIVDKBFMYSZADU-AAVRWANBSA-N 1 0 300.374 0.561 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595127879 396553732 /nfs/dbraw/zinc/55/37/32/396553732.db2.gz SQUHDIBJGSKVMB-UHFFFAOYSA-N 1 0 316.404 0.565 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCSC[C@H]1CCO ZINC000561143680 396631134 /nfs/dbraw/zinc/63/11/34/396631134.db2.gz AXLSYDHBWBQELI-MRVWCRGKSA-N 1 0 313.467 0.979 10 0 DCAERO C[NH2+]CCOCCN(C)Cc1nnnn1Cc1ccccc1 ZINC000629569790 396791739 /nfs/dbraw/zinc/79/17/39/396791739.db2.gz RLUWSEKHGGYOSE-UHFFFAOYSA-N 1 0 304.398 0.389 10 0 DCAERO C[NH+](C)CCn1cc(NC(=O)NCc2nnc3n2CCC3)cn1 ZINC000590344218 396760120 /nfs/dbraw/zinc/76/01/20/396760120.db2.gz YPKUUKNPZDICGW-UHFFFAOYSA-N 1 0 318.385 0.304 10 0 DCAERO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCc2nccn2C1 ZINC000328626825 396825310 /nfs/dbraw/zinc/82/53/10/396825310.db2.gz FLUCUNAIQZWDDC-LBPRGKRZSA-N 1 0 305.382 0.176 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332821251 396895196 /nfs/dbraw/zinc/89/51/96/396895196.db2.gz BARHWLURQLEFJL-XDQVBPFNSA-N 1 0 322.413 0.200 10 0 DCAERO C[C@H]1OCC[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332977482 396912119 /nfs/dbraw/zinc/91/21/19/396912119.db2.gz MEINGCRNKADENO-REBRKWNGSA-N 1 0 311.426 0.841 10 0 DCAERO C[C@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCOCC1 ZINC000333132162 396918582 /nfs/dbraw/zinc/91/85/82/396918582.db2.gz BWASTTOAUHHSJW-LSDHHAIUSA-N 1 0 324.469 0.881 10 0 DCAERO O=C(N[C@H]1CCn2ccnc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000333001471 396914060 /nfs/dbraw/zinc/91/40/60/396914060.db2.gz MPARLSYPLOKONF-UONOGXRCSA-N 1 0 301.394 0.854 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@@](C)(C[NH3+])C1 ZINC000630360479 396993799 /nfs/dbraw/zinc/99/37/99/396993799.db2.gz GEAOCMKQOOBGGS-GZMMTYOYSA-N 1 0 322.818 0.200 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2c(C)noc2C)[C@@](C)(C[NH3+])C1 ZINC000630363689 396994654 /nfs/dbraw/zinc/99/46/54/396994654.db2.gz QGJSENDKOPTQHD-ZYHUDNBSSA-N 1 0 303.384 0.418 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2cccc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630364296 396995961 /nfs/dbraw/zinc/99/59/61/396995961.db2.gz RTLJJSFKTSPJAD-YPMHNXCESA-N 1 0 302.371 0.953 10 0 DCAERO CC(=O)N1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000631001201 397155766 /nfs/dbraw/zinc/15/57/66/397155766.db2.gz LYENDTWEQYARCL-IYBDPMFKSA-N 1 0 308.426 0.638 10 0 DCAERO Cc1cnn(CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000592419268 397171535 /nfs/dbraw/zinc/17/15/35/397171535.db2.gz LPXMUVNACOYDQZ-HNNXBMFYSA-N 1 0 306.410 0.905 10 0 DCAERO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000380256059 397269736 /nfs/dbraw/zinc/26/97/36/397269736.db2.gz PNMMEFRFVOHOLU-APBUJDDRSA-N 1 0 316.448 0.896 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(F)cc1F ZINC000383776955 397278096 /nfs/dbraw/zinc/27/80/96/397278096.db2.gz QECJQGXINVYOKD-LLVKDONJSA-N 1 0 306.334 0.373 10 0 DCAERO CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1Cl ZINC000626914837 397286540 /nfs/dbraw/zinc/28/65/40/397286540.db2.gz YTOGEVXMYPYRHP-SNVBAGLBSA-N 1 0 309.753 0.959 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407950427 397333720 /nfs/dbraw/zinc/33/37/20/397333720.db2.gz FTCUIQRRSFJDGV-RYUDHWBXSA-N 1 0 312.332 0.069 10 0 DCAERO CS(=O)(=O)Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000407952442 397334501 /nfs/dbraw/zinc/33/45/01/397334501.db2.gz HHMHVAJPYZIHAT-CQSZACIVSA-N 1 0 323.418 0.978 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1=O ZINC000408073510 397346663 /nfs/dbraw/zinc/34/66/63/397346663.db2.gz WOZMCRCNNOVHOR-YNEHKIRRSA-N 1 0 315.439 0.200 10 0 DCAERO Cc1nc2c(c(N3CCC[C@H]3CS(N)(=O)=O)n1)CCCC2 ZINC000408175491 397349070 /nfs/dbraw/zinc/34/90/70/397349070.db2.gz ZQFOHLMOEPLJTQ-NSHDSACASA-N 1 0 310.423 0.921 10 0 DCAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408277231 397352080 /nfs/dbraw/zinc/35/20/80/397352080.db2.gz NYEMLKYXUWIYHS-GRYCIOLGSA-N 1 0 303.428 0.009 10 0 DCAERO CC(=O)N[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000620964116 397324814 /nfs/dbraw/zinc/32/48/14/397324814.db2.gz UTQCDDGMEVOCGO-LSDHHAIUSA-N 1 0 313.442 0.716 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000369201887 397433946 /nfs/dbraw/zinc/43/39/46/397433946.db2.gz CZVCXBVJQVOHEA-AAEUAGOBSA-N 1 0 324.343 0.871 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)CN1Cc1ccccc1 ZINC000459706522 397435702 /nfs/dbraw/zinc/43/57/02/397435702.db2.gz VYNRBMIOUSQKJH-HYVNUMGLSA-N 1 0 315.421 0.892 10 0 DCAERO CC[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)OC ZINC000602437848 397401392 /nfs/dbraw/zinc/40/13/92/397401392.db2.gz AGFYFXQYHBINNR-UONOGXRCSA-N 1 0 307.394 0.514 10 0 DCAERO C[NH+](C)CCCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000603291741 397593728 /nfs/dbraw/zinc/59/37/28/397593728.db2.gz FYKWRXHPRIPPFB-UHFFFAOYSA-N 1 0 319.452 0.396 10 0 DCAERO Cc1nnc(CN2CCN(CC(=O)N(C)CC3CC3)CC2)[nH]1 ZINC000605422465 397664557 /nfs/dbraw/zinc/66/45/57/397664557.db2.gz DTNFBKVSBOZNMH-UHFFFAOYSA-N 1 0 306.414 0.099 10 0 DCAERO Cc1ccc2c(c1)N(C(=O)C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000606107544 397677481 /nfs/dbraw/zinc/67/74/81/397677481.db2.gz XFEUACLZHDCQNV-UHFFFAOYSA-N 1 0 324.384 0.929 10 0 DCAERO CSC[C@H](CCO)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478215 397825400 /nfs/dbraw/zinc/82/54/00/397825400.db2.gz QDSLRXIFTRXNQB-NSHDSACASA-N 1 0 315.443 0.680 10 0 DCAERO COCC(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000133617709 292183202 /nfs/dbraw/zinc/18/32/02/292183202.db2.gz ZMOPBDHUNALDFJ-NFAWXSAZSA-N 1 0 311.426 0.469 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1CC ZINC000116769681 286085158 /nfs/dbraw/zinc/08/51/58/286085158.db2.gz BDLWRQDSTISXSM-VXGBXAGGSA-N 1 0 300.403 0.003 10 0 DCAERO CC[C@]1(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[NH2+]C1 ZINC000062899451 158029436 /nfs/dbraw/zinc/02/94/36/158029436.db2.gz HUYWDBTVPPTCML-AWEZNQCLSA-N 1 0 311.407 0.971 10 0 DCAERO CC(C)NC(=O)CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000071925850 158051053 /nfs/dbraw/zinc/05/10/53/158051053.db2.gz CGIYEDLZQUWWCH-UHFFFAOYSA-N 1 0 314.430 0.313 10 0 DCAERO COCCCNC(=O)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000071997591 158051351 /nfs/dbraw/zinc/05/13/51/158051351.db2.gz GREMEVVFRJACSB-AWEZNQCLSA-N 1 0 313.442 0.324 10 0 DCAERO CC1CC[NH+](CCCNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000072785843 158051893 /nfs/dbraw/zinc/05/18/93/158051893.db2.gz IPCNRHSZHHVNQF-UHFFFAOYSA-N 1 0 324.425 0.555 10 0 DCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000091712547 158109597 /nfs/dbraw/zinc/10/95/97/158109597.db2.gz OIRAJJDKYSDINL-JSGCOSHPSA-N 1 0 323.441 0.668 10 0 DCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000091768237 158109868 /nfs/dbraw/zinc/10/98/68/158109868.db2.gz UVZRTEWAZSWSTL-KBPBESRZSA-N 1 0 318.425 0.791 10 0 DCAERO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)N1CCOCC1 ZINC000105799856 158131108 /nfs/dbraw/zinc/13/11/08/158131108.db2.gz OWALYOAGGZRSAN-UHFFFAOYSA-N 1 0 319.409 0.238 10 0 DCAERO CN(CC(=O)N1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915933 158132319 /nfs/dbraw/zinc/13/23/19/158132319.db2.gz JSMNKSNROYCBFP-UHFFFAOYSA-N 1 0 319.453 0.902 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000113591095 158149398 /nfs/dbraw/zinc/14/93/98/158149398.db2.gz SLPXXSSJXWCACD-RYUDHWBXSA-N 1 0 307.460 0.839 10 0 DCAERO CC[C@H]1CN(C(=O)CCCCNC(N)=O)CC[N@@H+]1CCOC ZINC000117299741 158170381 /nfs/dbraw/zinc/17/03/81/158170381.db2.gz LVXZDHWXUOSOIE-ZDUSSCGKSA-N 1 0 314.430 0.394 10 0 DCAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000117748038 158173203 /nfs/dbraw/zinc/17/32/03/158173203.db2.gz BAECQSMCFCPPEW-CJNGLKHVSA-N 1 0 303.406 0.915 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000118103390 158175718 /nfs/dbraw/zinc/17/57/18/158175718.db2.gz HBMBLQCCJNCHSF-LBPRGKRZSA-N 1 0 313.361 0.779 10 0 DCAERO C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)C(C)(C)C[NH+](C)C ZINC000119444118 158187136 /nfs/dbraw/zinc/18/71/36/158187136.db2.gz ZORWKUHEUQGPPU-STQMWFEESA-N 1 0 300.447 0.593 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000120654940 158201959 /nfs/dbraw/zinc/20/19/59/158201959.db2.gz UZFVVRRMGWBYRW-ZIAGYGMSSA-N 1 0 321.421 0.714 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000121018183 158206285 /nfs/dbraw/zinc/20/62/85/158206285.db2.gz MCIUNDUGVAKQJG-JTQLQIEISA-N 1 0 321.385 0.634 10 0 DCAERO CCC[N@H+](CCO)CC(=O)NCCN1CCc2ccccc21 ZINC000123457305 158230097 /nfs/dbraw/zinc/23/00/97/158230097.db2.gz MDRQZAXSTQJWFV-UHFFFAOYSA-N 1 0 305.422 0.870 10 0 DCAERO CCOC(=O)CCCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123573782 158232087 /nfs/dbraw/zinc/23/20/87/158232087.db2.gz WKUWLKINCHZSPP-KGLIPLIRSA-N 1 0 313.442 0.860 10 0 DCAERO CC[NH2+]Cc1ccccc1NC(=O)CN1C(=O)CN(C)C1=O ZINC000124196856 158239708 /nfs/dbraw/zinc/23/97/08/158239708.db2.gz XGXUCTRCXICUOP-UHFFFAOYSA-N 1 0 304.350 0.629 10 0 DCAERO [NH3+]CC(=O)NCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000124723552 158246341 /nfs/dbraw/zinc/24/63/41/158246341.db2.gz PKTWMIYEIDSZEZ-UHFFFAOYSA-N 1 0 309.341 0.270 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C(N)=O)cn1C ZINC000125984846 158260204 /nfs/dbraw/zinc/26/02/04/158260204.db2.gz RCSZCBHNWYDOPN-VXGBXAGGSA-N 1 0 306.410 0.974 10 0 DCAERO C[NH+](C)CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000127936070 158277263 /nfs/dbraw/zinc/27/72/63/158277263.db2.gz SRWMUNVKVFORSM-UHFFFAOYSA-N 1 0 304.438 0.482 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000134115949 158324776 /nfs/dbraw/zinc/32/47/76/158324776.db2.gz CUSORTKKKDGHJB-CYBMUJFWSA-N 1 0 305.378 0.635 10 0 DCAERO CC[C@]1(C(=O)NCc2cccnc2-n2cncn2)CCC[NH2+]1 ZINC000134566716 158328891 /nfs/dbraw/zinc/32/88/91/158328891.db2.gz RNLALJXPHVYLTD-OAHLLOKOSA-N 1 0 300.366 0.811 10 0 DCAERO CC(C)[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(N)=O ZINC000134897876 158332295 /nfs/dbraw/zinc/33/22/95/158332295.db2.gz FMLXKTHVJRGIDM-CABCVRRESA-N 1 0 320.437 0.968 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000135305221 158335280 /nfs/dbraw/zinc/33/52/80/158335280.db2.gz QCTDNENMSFCNHO-STQMWFEESA-N 1 0 319.471 0.935 10 0 DCAERO CC(C)[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136269727 158343043 /nfs/dbraw/zinc/34/30/43/158343043.db2.gz KLJFLOTYLVLEQS-UONOGXRCSA-N 1 0 310.442 0.979 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC34CC[NH2+]CC4)C2)cn1 ZINC000137255306 158344775 /nfs/dbraw/zinc/34/47/75/158344775.db2.gz KSOBKROCIYXGPW-HIFRSBDPSA-N 1 0 317.437 0.895 10 0 DCAERO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)CCO2)n1 ZINC000168282614 158372648 /nfs/dbraw/zinc/37/26/48/158372648.db2.gz VDGRDBFALQEJRO-DZGCQCFKSA-N 1 0 310.373 0.429 10 0 DCAERO Cc1cc(=O)n2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)sc2n1 ZINC000171639954 158385840 /nfs/dbraw/zinc/38/58/40/158385840.db2.gz FHKVEOZNSXIWHP-LLVKDONJSA-N 1 0 305.407 0.739 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC3)CC2)C1 ZINC000172275941 158393184 /nfs/dbraw/zinc/39/31/84/158393184.db2.gz JQEBRBNSOZNMFX-OAHLLOKOSA-N 1 0 310.442 0.585 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000172542777 158395777 /nfs/dbraw/zinc/39/57/77/158395777.db2.gz FPEWWLHQGVUPPK-OAHLLOKOSA-N 1 0 308.470 0.709 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189781484 158555702 /nfs/dbraw/zinc/55/57/02/158555702.db2.gz HPFOKPYDKHESHW-UHFFFAOYSA-N 1 0 304.350 0.335 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000262069986 158769621 /nfs/dbraw/zinc/76/96/21/158769621.db2.gz BOFJICMCVBWYRI-OCCSQVGLSA-N 1 0 303.362 0.124 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1Cc1ccccc1 ZINC000262080139 158770097 /nfs/dbraw/zinc/77/00/97/158770097.db2.gz CIARYOZCTYIMHI-GDBMZVCRSA-N 1 0 314.389 0.550 10 0 DCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c2c(n1)onc2C(C)C ZINC000262220304 158786368 /nfs/dbraw/zinc/78/63/68/158786368.db2.gz JKYRPVZSXRQLEA-CMPLNLGQSA-N 1 0 318.377 0.965 10 0 DCAERO CN(CCC1CCOCC1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262227472 158787218 /nfs/dbraw/zinc/78/72/18/158787218.db2.gz JZRJQXWZSGYGHG-CVEARBPZSA-N 1 0 320.437 0.998 10 0 DCAERO O=C(Nc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1)NC1CC1 ZINC000262227459 158787707 /nfs/dbraw/zinc/78/77/07/158787707.db2.gz JZKBCVBMDDJHPX-FZMZJTMJSA-N 1 0 318.377 0.281 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)nnn1-c1cccc(C)c1 ZINC000262242135 158789450 /nfs/dbraw/zinc/78/94/50/158789450.db2.gz LABAASXTMLQOIB-TZMCWYRMSA-N 1 0 315.377 0.194 10 0 DCAERO CC(C)c1noc2ncc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc21 ZINC000262344934 158801412 /nfs/dbraw/zinc/80/14/12/158801412.db2.gz UAIUHWSNTIFDRL-CMPLNLGQSA-N 1 0 304.350 0.656 10 0 DCAERO COc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262356557 158802460 /nfs/dbraw/zinc/80/24/60/158802460.db2.gz UUUYIRYHSPTDMH-FZMZJTMJSA-N 1 0 324.352 0.494 10 0 DCAERO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262363753 158803875 /nfs/dbraw/zinc/80/38/75/158803875.db2.gz VLMTZDHIAIZWTI-CMPLNLGQSA-N 1 0 318.295 0.824 10 0 DCAERO COc1ccc(C2(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)CCC2)cc1 ZINC000262366912 158805144 /nfs/dbraw/zinc/80/51/44/158805144.db2.gz VSPKXVCEFCPXQE-SWLSCSKDSA-N 1 0 304.390 0.813 10 0 DCAERO CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262445200 158813658 /nfs/dbraw/zinc/81/36/58/158813658.db2.gz CQINLTQRJNWKLA-UPJWGTAASA-N 1 0 318.439 0.085 10 0 DCAERO CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000262653734 158832640 /nfs/dbraw/zinc/83/26/40/158832640.db2.gz YUFFYRIHBXPGPR-LLVKDONJSA-N 1 0 300.362 0.296 10 0 DCAERO Cn1c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc(=O)n(C)c1=O ZINC000328600850 159013971 /nfs/dbraw/zinc/01/39/71/159013971.db2.gz DJVSOKWOZGWFSX-AWEZNQCLSA-N 1 0 316.361 0.132 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(CCN3C(=O)NC(C)(C)C3=O)[C@H]2C1 ZINC000328770530 159028133 /nfs/dbraw/zinc/02/81/33/159028133.db2.gz JANZSMQVRQSNHV-QWHCGFSZSA-N 1 0 324.425 0.316 10 0 DCAERO Cc1cccc2nc(C[NH2+]C3(CO)CCOCC3)cc(=O)n12 ZINC000329254730 159076900 /nfs/dbraw/zinc/07/69/00/159076900.db2.gz ZZPBUOSPEWLELR-UHFFFAOYSA-N 1 0 303.362 0.634 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000329424153 159091418 /nfs/dbraw/zinc/09/14/18/159091418.db2.gz IAFGMQAAHXMNCB-YRGRVCCFSA-N 1 0 317.393 0.315 10 0 DCAERO COCCN1C[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1=O ZINC000329494550 159097144 /nfs/dbraw/zinc/09/71/44/159097144.db2.gz UNHHELGRAWBVLN-UONOGXRCSA-N 1 0 309.410 0.034 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)nn1 ZINC000329526124 159099767 /nfs/dbraw/zinc/09/97/67/159099767.db2.gz RHPRIMZAYXUCRV-QRTUWBSPSA-N 1 0 322.409 0.768 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4n(n3)CCCO4)[C@H]2C1 ZINC000329525875 159099845 /nfs/dbraw/zinc/09/98/45/159099845.db2.gz HGANOVATJBSPDF-UONOGXRCSA-N 1 0 320.393 0.601 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H]3CCC[C@@H]32)CC1=O ZINC000329841294 159123026 /nfs/dbraw/zinc/12/30/26/159123026.db2.gz JZTAQPIRNCMLSB-RDBSUJKOSA-N 1 0 309.410 0.176 10 0 DCAERO C[N@@H+](CC(=O)N1CCC1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000329953027 159131089 /nfs/dbraw/zinc/13/10/89/159131089.db2.gz NAADXZMYQIVHRN-KBPBESRZSA-N 1 0 321.400 0.553 10 0 DCAERO CC(C)[C@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000330199501 159149530 /nfs/dbraw/zinc/14/95/30/159149530.db2.gz VNIXEWWAAINZQN-TZMCWYRMSA-N 1 0 307.398 0.652 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000330572676 159195416 /nfs/dbraw/zinc/19/54/16/159195416.db2.gz PNTYHRGRTFGSNP-MRXNPFEDSA-N 1 0 311.426 0.350 10 0 DCAERO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1CC[C@](F)(CO)C1 ZINC000367125093 159315219 /nfs/dbraw/zinc/31/52/19/159315219.db2.gz CLGQTDAOKSKQSD-MRXNPFEDSA-N 1 0 324.400 0.916 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000367832472 159359080 /nfs/dbraw/zinc/35/90/80/159359080.db2.gz NOEZDEWOVHMQLI-TUAOUCFPSA-N 1 0 303.428 0.072 10 0 DCAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000368489475 159397826 /nfs/dbraw/zinc/39/78/26/159397826.db2.gz BETUWPXLIYSYQR-XJKCOSOUSA-N 1 0 311.426 0.478 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018158 160012851 /nfs/dbraw/zinc/01/28/51/160012851.db2.gz PSKSDBVOAWALAT-QWHCGFSZSA-N 1 0 317.455 0.641 10 0 DCAERO CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000408031302 160016806 /nfs/dbraw/zinc/01/68/06/160016806.db2.gz MDOLHEPFOFIEHJ-CYBMUJFWSA-N 1 0 318.425 0.134 10 0 DCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408034449 160017965 /nfs/dbraw/zinc/01/79/65/160017965.db2.gz UBHCKCOENCVQLC-OLZOCXBDSA-N 1 0 318.425 0.182 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@]2(O)CCSC2)CC[N@@H+]1C[C@@H](C)O ZINC000408045124 160021388 /nfs/dbraw/zinc/02/13/88/160021388.db2.gz YKKMTLVCCAUDDM-BZPMIXESSA-N 1 0 302.440 0.158 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN[C@H](c3ccncc3)C2)[N@H+](C)C1 ZINC000408058646 160025641 /nfs/dbraw/zinc/02/56/41/160025641.db2.gz LEHUWKSPESLCAW-KKUMJFAQSA-N 1 0 304.394 0.274 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]([NH+](C)C)C3)nc2n1 ZINC000408085804 160032793 /nfs/dbraw/zinc/03/27/93/160032793.db2.gz CSXFXGDZFUYVCE-CYBMUJFWSA-N 1 0 316.409 0.836 10 0 DCAERO C[C@H]1CCN(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000408136215 160044937 /nfs/dbraw/zinc/04/49/37/160044937.db2.gz BZHKPCRFDIWIEV-UONOGXRCSA-N 1 0 319.471 0.255 10 0 DCAERO O=C(NCCCN1CCCCC1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408142060 160046948 /nfs/dbraw/zinc/04/69/48/160046948.db2.gz YWUPTORCDIAVNM-AWEZNQCLSA-N 1 0 308.426 0.879 10 0 DCAERO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408210231 160060772 /nfs/dbraw/zinc/06/07/72/160060772.db2.gz GMYPLNNSCJEUMV-RWMBFGLXSA-N 1 0 302.440 0.752 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CC[S@@](=O)[C@H](C)C2)CC1 ZINC000408211247 160060830 /nfs/dbraw/zinc/06/08/30/160060830.db2.gz NNMYORIMPNEYML-MPBGBICISA-N 1 0 301.456 0.040 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408219106 160062113 /nfs/dbraw/zinc/06/21/13/160062113.db2.gz XSRZLIWVRJHBTG-MRXNPFEDSA-N 1 0 302.378 0.890 10 0 DCAERO C[C@H]1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC[N@@H+]1C ZINC000408223983 160063194 /nfs/dbraw/zinc/06/31/94/160063194.db2.gz GAUFLLLBPNFROD-NWDGAFQWSA-N 1 0 300.362 0.907 10 0 DCAERO CNC(=O)CC(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000408320360 160084250 /nfs/dbraw/zinc/08/42/50/160084250.db2.gz KWMIJMHDAULGCC-LBPRGKRZSA-N 1 0 304.394 0.980 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000408451757 160111276 /nfs/dbraw/zinc/11/12/76/160111276.db2.gz KNFAPBWOFKZIAE-AGIUHOORSA-N 1 0 317.455 0.545 10 0 DCAERO CC(C)NS(=O)(=O)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000408459852 160113060 /nfs/dbraw/zinc/11/30/60/160113060.db2.gz ZMKUWZJYKDJKKS-CQSZACIVSA-N 1 0 319.471 0.806 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nnn(C)n1 ZINC000408473564 160116598 /nfs/dbraw/zinc/11/65/98/160116598.db2.gz 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/nfs/dbraw/zinc/07/60/89/287076089.db2.gz DZMFZCCZPIQABT-VXGBXAGGSA-N 1 0 306.410 0.974 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246408833 287083134 /nfs/dbraw/zinc/08/31/34/287083134.db2.gz JFLIJYVIKQJSTQ-BXUZGUMPSA-N 1 0 307.394 0.661 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000247338084 287093032 /nfs/dbraw/zinc/09/30/32/287093032.db2.gz HKYIQUBMNCQHHT-MELADBBJSA-N 1 0 308.426 0.923 10 0 DCAERO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000247001303 287089956 /nfs/dbraw/zinc/08/99/56/287089956.db2.gz WXJWTHYGDQKWTM-ROUUACIJSA-N 1 0 322.449 0.953 10 0 DCAERO OCC[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000247209266 287092123 /nfs/dbraw/zinc/09/21/23/287092123.db2.gz XTRSITZOAAXCIB-FUHWJXTLSA-N 1 0 320.433 0.661 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@H](C)CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000248446621 287097427 /nfs/dbraw/zinc/09/74/27/287097427.db2.gz GDALEIDPAMULOW-MGPQQGTHSA-N 1 0 301.431 0.898 10 0 DCAERO 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/nfs/dbraw/zinc/68/62/93/415686293.db2.gz LPUWKEZZQUFWEB-XBFCOCLRSA-N 1 0 305.378 0.527 10 0 DCAERO CCc1nnc(NC(=O)NCC2CC[NH+](CCO)CC2)s1 ZINC000111707089 415696984 /nfs/dbraw/zinc/69/69/84/415696984.db2.gz BKROMMWTIVEOJB-UHFFFAOYSA-N 1 0 313.427 0.926 10 0 DCAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)C2)[C@H](C)C1 ZINC000115273709 415723230 /nfs/dbraw/zinc/72/32/30/415723230.db2.gz RYHGHBHREWBVKR-MCIONIFRSA-N 1 0 311.426 0.376 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCO1 ZINC000116790088 415727016 /nfs/dbraw/zinc/72/70/16/415727016.db2.gz FLJMEZCKXVDSLD-HIFRSBDPSA-N 1 0 318.373 0.557 10 0 DCAERO CCC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783660 415729754 /nfs/dbraw/zinc/72/97/54/415729754.db2.gz KDZKTZSOHTTWHQ-ZIAGYGMSSA-N 1 0 311.426 0.567 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333649743 415703952 /nfs/dbraw/zinc/70/39/52/415703952.db2.gz JPEHRTDBLCEYEH-IHRRRGAJSA-N 1 0 324.425 0.160 10 0 DCAERO 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/nfs/dbraw/zinc/32/43/94/416324394.db2.gz XONJKADARYDTTE-CYBMUJFWSA-N 1 0 316.405 0.903 10 0 DCAERO O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195223430 416325534 /nfs/dbraw/zinc/32/55/34/416325534.db2.gz CDYSGFVDLMZBHO-HZSPNIEDSA-N 1 0 323.462 0.756 10 0 DCAERO O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195324937 416326260 /nfs/dbraw/zinc/32/62/60/416326260.db2.gz LLQUPTKXHCVGHK-LBPRGKRZSA-N 1 0 301.346 0.938 10 0 DCAERO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000360273947 416383865 /nfs/dbraw/zinc/38/38/65/416383865.db2.gz VORZXIHGGRRRAO-KBPBESRZSA-N 1 0 311.426 0.329 10 0 DCAERO O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618943 416477680 /nfs/dbraw/zinc/47/76/80/416477680.db2.gz KZLAEVCXGGKTSK-OAHLLOKOSA-N 1 0 312.333 0.576 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C)CC12COC2 ZINC000458756105 416497271 /nfs/dbraw/zinc/49/72/71/416497271.db2.gz JWTDJQFRNFKGSL-RYUDHWBXSA-N 1 0 313.398 0.158 10 0 DCAERO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458795113 416501168 /nfs/dbraw/zinc/50/11/68/416501168.db2.gz BZDXCZVNBKYBOE-STQMWFEESA-N 1 0 312.418 0.059 10 0 DCAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSC[C@H]1CCO ZINC000538186602 416565563 /nfs/dbraw/zinc/56/55/63/416565563.db2.gz UCWXELYOBINSHW-GXTWGEPZSA-N 1 0 313.467 0.980 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000540515522 416592414 /nfs/dbraw/zinc/59/24/14/416592414.db2.gz HTRZRBVNMPZKSN-UHFFFAOYSA-N 1 0 319.365 0.058 10 0 DCAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSC[C@@H]1CCO ZINC000538186603 416566989 /nfs/dbraw/zinc/56/69/89/416566989.db2.gz UCWXELYOBINSHW-JSGCOSHPSA-N 1 0 313.467 0.980 10 0 DCAERO C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@H]1[NH+](C)C ZINC000607972598 416647499 /nfs/dbraw/zinc/64/74/99/416647499.db2.gz PFFWSTMUYCRIBX-NSODJVPESA-N 1 0 322.409 0.115 10 0 DCAERO O=C(C[NH2+]C1(CCO)CCCCC1)NCC(=O)N1CCCC1 ZINC000440907292 416653628 /nfs/dbraw/zinc/65/36/28/416653628.db2.gz 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/nfs/dbraw/zinc/95/00/10/416950010.db2.gz VCVUMRVAEIZCBS-CQSZACIVSA-N 1 0 312.458 0.833 10 0 DCAERO COc1cccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000624388187 417024269 /nfs/dbraw/zinc/02/42/69/417024269.db2.gz PFZXEUAOJCOOMK-UHFFFAOYSA-N 1 0 300.380 0.481 10 0 DCAERO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(F)c1 ZINC000624386749 417024978 /nfs/dbraw/zinc/02/49/78/417024978.db2.gz VXGMXDPDQJNXFZ-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccccc1OC ZINC000624395860 417028138 /nfs/dbraw/zinc/02/81/38/417028138.db2.gz RSJNTFUEORTWCN-UHFFFAOYSA-N 1 0 302.396 0.552 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccn2C)CC1 ZINC000448257130 417065919 /nfs/dbraw/zinc/06/59/19/417065919.db2.gz SIMBMISQBNFOGV-CQSZACIVSA-N 1 0 305.426 0.943 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000400292495 417110632 /nfs/dbraw/zinc/11/06/32/417110632.db2.gz XDBDGPXZRWDZLL-HTAVTVPLSA-N 1 0 303.428 0.044 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(=O)[nH]3)C2)CC1 ZINC000408005621 417133123 /nfs/dbraw/zinc/13/31/23/417133123.db2.gz XSGNFCQSUAWXEC-AWEZNQCLSA-N 1 0 318.421 0.948 10 0 DCAERO CC(C)CN(C)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408029243 417133959 /nfs/dbraw/zinc/13/39/59/417133959.db2.gz SMMLSAPLKLSJLJ-OLZOCXBDSA-N 1 0 305.444 0.224 10 0 DCAERO CCN1C[C@H](C)N(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@H]1C ZINC000408041549 417136210 /nfs/dbraw/zinc/13/62/10/417136210.db2.gz MQESIYLCCKSUFL-RQJABVFESA-N 1 0 319.471 0.755 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000408233563 417149823 /nfs/dbraw/zinc/14/98/23/417149823.db2.gz WDUXKIVZGGBBJB-OLZOCXBDSA-N 1 0 303.428 0.122 10 0 DCAERO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000643098230 417151137 /nfs/dbraw/zinc/15/11/37/417151137.db2.gz YDJMRAUPDUASGP-NWDGAFQWSA-N 1 0 320.773 0.840 10 0 DCAERO COc1cc(CC(=O)NCCNc2cc[nH+]cc2)ccc1O ZINC000449812552 417176124 /nfs/dbraw/zinc/17/61/24/417176124.db2.gz DFDOAIIXCBUSDS-UHFFFAOYSA-N 1 0 301.346 0.989 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@@H]3CC[NH2+][C@H]3C)[C@@H]2C1 ZINC000627039333 417216367 /nfs/dbraw/zinc/21/63/67/417216367.db2.gz GUMHUYGLUFDBMN-VNUKXSOBSA-N 1 0 308.426 0.683 10 0 DCAERO CCc1ncsc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000438428010 287370208 /nfs/dbraw/zinc/37/02/08/287370208.db2.gz FQGALYGAOSVSRW-UHFFFAOYSA-N 1 0 319.390 0.689 10 0 DCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000528056648 417299064 /nfs/dbraw/zinc/29/90/64/417299064.db2.gz JOKZGBNNZKAQMJ-TXEJJXNPSA-N 1 0 305.444 0.307 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCCN(C(C)C)C2=O)CC12COC2 ZINC000451130886 417302338 /nfs/dbraw/zinc/30/23/38/417302338.db2.gz FYGMIEHABBOXHO-KGLIPLIRSA-N 1 0 324.421 0.897 10 0 DCAERO NC(=O)C[C@@]1(O)CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC000643808181 417379599 /nfs/dbraw/zinc/37/95/99/417379599.db2.gz VHWIHPFDDCNQQO-KRWDZBQOSA-N 1 0 303.406 0.751 10 0 DCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000638682173 417534292 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ZINC000488803432 272051367 /nfs/dbraw/zinc/05/13/67/272051367.db2.gz IVZKNPPFXWVAKN-VHDGCEQUSA-N 1 0 323.389 0.916 10 0 DCAERO CC[NH+](CC)CC1CCN(Cc2nc(CC(=O)NC)no2)CC1 ZINC000494500502 272223389 /nfs/dbraw/zinc/22/33/89/272223389.db2.gz AGKFREQVKLAAIH-UHFFFAOYSA-N 1 0 323.441 0.912 10 0 DCAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000301694380 275048525 /nfs/dbraw/zinc/04/85/25/275048525.db2.gz AHZBFCOTVWSZPP-RYUDHWBXSA-N 1 0 302.382 0.778 10 0 DCAERO Cn1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000535735849 287839530 /nfs/dbraw/zinc/83/95/30/287839530.db2.gz SPSRBGFQKAJGFT-UHFFFAOYSA-N 1 0 321.425 0.864 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000408057632 275764533 /nfs/dbraw/zinc/76/45/33/275764533.db2.gz XDGRJLWKDQOGEO-ZBFHGGJFSA-N 1 0 311.426 0.303 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CN3CCCCC3=O)[C@H]2C1 ZINC000329520701 276234682 /nfs/dbraw/zinc/23/46/82/276234682.db2.gz FLXJVSQGCBXZLV-UONOGXRCSA-N 1 0 309.410 0.321 10 0 DCAERO 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/nfs/dbraw/zinc/17/17/82/290171782.db2.gz OLMBLPWVFLLGQN-NWDGAFQWSA-N 1 0 322.409 0.260 10 0 DCAERO CO[C@H](C)CS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000195286247 294281327 /nfs/dbraw/zinc/28/13/27/294281327.db2.gz UCAQBFBIFCAUGN-CHWSQXEVSA-N 1 0 322.471 0.376 10 0 DCAERO COc1cc(OC)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193402646 295012424 /nfs/dbraw/zinc/01/24/24/295012424.db2.gz HIXIEWBAFGBWTE-HZMBPMFUSA-N 1 0 314.407 0.980 10 0 DCAERO COc1ccc(C(C)(C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262346554 295101139 /nfs/dbraw/zinc/10/11/39/295101139.db2.gz UDFQBYZRTYUPTP-WCQYABFASA-N 1 0 322.405 0.678 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000366540257 295149733 /nfs/dbraw/zinc/14/97/33/295149733.db2.gz WGIAZPYNTGCZQN-GXTWGEPZSA-N 1 0 309.410 0.354 10 0 DCAERO CS(=O)(=O)CC1(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186560630 295480280 /nfs/dbraw/zinc/48/02/80/295480280.db2.gz NFXMRMVQWUVFQE-LBPRGKRZSA-N 1 0 314.451 0.944 10 0 DCAERO 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/nfs/dbraw/zinc/56/60/10/524566010.db2.gz JCWXLFXZBKHYGS-LBPRGKRZSA-N 1 0 302.382 0.907 10 0 DCAERO C[C@H](CO)[C@H](C)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131923133 524570769 /nfs/dbraw/zinc/57/07/69/524570769.db2.gz UIHVVXGSJBTPEN-OLZOCXBDSA-N 1 0 324.425 0.838 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCSc1nnnn1C ZINC000247411532 524689567 /nfs/dbraw/zinc/68/95/67/524689567.db2.gz QDPBQLRFBHXBCO-QWRGUYRKSA-N 1 0 310.427 0.387 10 0 DCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)n1 ZINC000171604495 534886269 /nfs/dbraw/zinc/88/62/69/534886269.db2.gz CZYLFKLLKHNTQV-ZDUSSCGKSA-N 1 0 315.443 0.286 10 0 DCAERO Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC000267605453 527321001 /nfs/dbraw/zinc/32/10/01/527321001.db2.gz NATWKQQMTQJWBW-ZIAGYGMSSA-N 1 0 307.398 0.597 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2COc3ccccc32)cn1 ZINC000262036086 527321912 /nfs/dbraw/zinc/32/19/12/527321912.db2.gz XYQDEVARFGHIIZ-QLFBSQMISA-N 1 0 312.373 0.973 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNc2cncc(OCCO)n2)C1 ZINC000189098718 528014205 /nfs/dbraw/zinc/01/42/05/528014205.db2.gz UQKGEPXTQFECAH-ZDUSSCGKSA-N 1 0 310.398 0.616 10 0 DCAERO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180130923 528911966 /nfs/dbraw/zinc/91/19/66/528911966.db2.gz APIMIHVTEHCQMC-JQWIXIFHSA-N 1 0 302.396 0.382 10 0 DCAERO CCC[C@H](C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1)[NH+](C)C ZINC000122370423 535578121 /nfs/dbraw/zinc/57/81/21/535578121.db2.gz FGPXSZPLPOXPNP-VXGBXAGGSA-N 1 0 309.414 0.997 10 0 DCAERO COC(=O)c1cc(C)cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000457671837 536882410 /nfs/dbraw/zinc/88/24/10/536882410.db2.gz NYJIGRZFFPRRHK-INIZCTEOSA-N 1 0 308.378 0.824 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089457441 545714719 /nfs/dbraw/zinc/71/47/19/545714719.db2.gz CCVPTPBJXSMQKW-YNEHKIRRSA-N 1 0 317.455 0.149 10 0 DCAERO CN1CCO[C@H](CNC(=O)c2sc3ncccc3c2N)C1 ZINC000091681295 545719054 /nfs/dbraw/zinc/71/90/54/545719054.db2.gz 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ZINC000262258589 545981718 /nfs/dbraw/zinc/98/17/18/545981718.db2.gz LZGPTFWXKQHFKN-SDBXPKJASA-N 1 0 305.309 0.390 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2)CCOCC1 ZINC000262264788 545981754 /nfs/dbraw/zinc/98/17/54/545981754.db2.gz MLYBCXJURIKMLN-UKRRQHHQSA-N 1 0 304.390 0.431 10 0 DCAERO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262277524 545982889 /nfs/dbraw/zinc/98/28/89/545982889.db2.gz NMVMOWJOZVMWFL-SCZZXKLOSA-N 1 0 303.284 0.719 10 0 DCAERO Cc1ccnn1-c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262330289 545983687 /nfs/dbraw/zinc/98/36/87/545983687.db2.gz SEQUZHNXKJDMSC-HIFRSBDPSA-N 1 0 300.362 0.491 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2c([nH]c1=O)CCCCC2 ZINC000262368404 545984746 /nfs/dbraw/zinc/98/47/46/545984746.db2.gz VXSNPGPGFOEHNZ-BXUZGUMPSA-N 1 0 305.378 0.366 10 0 DCAERO CCCNC(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262386813 545985514 /nfs/dbraw/zinc/98/55/14/545985514.db2.gz XMVDILHJRSRMTD-KGLIPLIRSA-N 1 0 305.378 0.137 10 0 DCAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262380888 545985635 /nfs/dbraw/zinc/98/56/35/545985635.db2.gz XAMNKTMOFLXLEQ-MFKMUULPSA-N 1 0 301.346 0.559 10 0 DCAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000722313318 660701075 /nfs/dbraw/zinc/70/10/75/660701075.db2.gz XEQCSGRMAFXAQV-ZYHUDNBSSA-N 1 0 300.380 0.974 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000888095196 661165466 /nfs/dbraw/zinc/16/54/66/661165466.db2.gz RPAXPQMJVWJMFT-LNCBFAARSA-N 1 0 319.405 0.997 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccncn1)C2 ZINC000888095460 661166596 /nfs/dbraw/zinc/16/65/96/661166596.db2.gz YUJUQDUILRATOW-KQTLUZQSSA-N 1 0 304.394 0.686 10 0 DCAERO Cn1nc(C[C@H]2CCCC[C@H]2[NH2+]CCn2cncn2)n(C)c1=O ZINC000888099058 661178351 /nfs/dbraw/zinc/17/83/51/661178351.db2.gz PZEPXSVEMLNLCY-CHWSQXEVSA-N 1 0 319.413 0.101 10 0 DCAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)NC(=O)NC1CC1 ZINC000128665233 657601407 /nfs/dbraw/zinc/60/14/07/657601407.db2.gz LAAHEUXRPUSHGV-OLZOCXBDSA-N 1 0 305.382 0.945 10 0 DCAERO CCn1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)nc1C ZINC000723900955 657732366 /nfs/dbraw/zinc/73/23/66/657732366.db2.gz WIDSCHCQSFTRDB-ZYHUDNBSSA-N 1 0 300.428 0.817 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000176196111 658014342 /nfs/dbraw/zinc/01/43/42/658014342.db2.gz XKLQYIIZPUEYEJ-CHWSQXEVSA-N 1 0 321.425 0.855 10 0 DCAERO CCOC(=O)C1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261658206 661354886 /nfs/dbraw/zinc/35/48/86/661354886.db2.gz FNIZYTKWZCUMDH-JXQTWKCFSA-N 1 0 312.410 0.978 10 0 DCAERO COc1ccc(NC(=S)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000726899606 661961742 /nfs/dbraw/zinc/96/17/42/661961742.db2.gz GBWXZWXIIMNOES-UHFFFAOYSA-N 1 0 323.466 0.966 10 0 DCAERO CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n[nH]1 ZINC000896415606 662269686 /nfs/dbraw/zinc/26/96/86/662269686.db2.gz MHERLZBWVYEJHO-SWLSCSKDSA-N 1 0 321.425 0.579 10 0 DCAERO 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UCNMMYVNSFXFDP-QWHCGFSZSA-N 1 0 311.426 0.565 10 0 DCAERO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN(CC(F)(F)F)CC1 ZINC000061948598 664612539 /nfs/dbraw/zinc/61/25/39/664612539.db2.gz YGYYKETUQKSZBD-JTQLQIEISA-N 1 0 315.361 0.248 10 0 DCAERO CN(C)c1nn(CN2CCO[C@@H](C[NH+](C)C)C2)c(=S)s1 ZINC000153001303 664787265 /nfs/dbraw/zinc/78/72/65/664787265.db2.gz CJOHHKOCWJWFHU-JTQLQIEISA-N 1 0 317.484 0.960 10 0 DCAERO C[C@@H]1CC[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C[NH2+]1 ZINC000700915712 666779488 /nfs/dbraw/zinc/77/94/88/666779488.db2.gz OVWNFZLEUNMAKR-MXWKQRLJSA-N 1 0 306.453 0.163 10 0 DCAERO CC(C)[C@H]([NH3+])CCNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700915494 666779498 /nfs/dbraw/zinc/77/94/98/666779498.db2.gz JPOZXUVEGILCGU-WDEREUQCSA-N 1 0 308.469 0.396 10 0 DCAERO C[C@@H]1CC[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C[NH2+]1 ZINC000700915861 666780114 /nfs/dbraw/zinc/78/01/14/666780114.db2.gz OVWNFZLEUNMAKR-VWYCJHECSA-N 1 0 306.453 0.163 10 0 DCAERO Cn1nnc(Br)c1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702237997 666932083 /nfs/dbraw/zinc/93/20/83/666932083.db2.gz BYUMQWOSTJDMRA-QMMMGPOBSA-N 1 0 314.187 0.498 10 0 DCAERO CC(C)OC(=O)CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702391117 666947470 /nfs/dbraw/zinc/94/74/70/666947470.db2.gz WRGMHIGRRPGVGX-CQSZACIVSA-N 1 0 307.394 0.514 10 0 DCAERO CCc1nnc(C[NH2+]CCCN(CC)S(C)(=O)=O)s1 ZINC000702671153 666983637 /nfs/dbraw/zinc/98/36/37/666983637.db2.gz SRNIOEISJQWEMO-UHFFFAOYSA-N 1 0 306.457 0.862 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000702832763 667001427 /nfs/dbraw/zinc/00/14/27/667001427.db2.gz RCIHBAXNGGUIPZ-NWDGAFQWSA-N 1 0 300.399 0.840 10 0 DCAERO CCn1ncc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](OC)C2)n1 ZINC000863398055 667139594 /nfs/dbraw/zinc/13/95/94/667139594.db2.gz LPNRLOOVJHSKHR-SCRDCRAPSA-N 1 0 307.398 0.670 10 0 DCAERO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000703999870 667165169 /nfs/dbraw/zinc/16/51/69/667165169.db2.gz MYZCHWDZHWCRRA-TUAOUCFPSA-N 1 0 303.428 0.044 10 0 DCAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCOC ZINC000707285354 667437910 /nfs/dbraw/zinc/43/79/10/667437910.db2.gz MJNLOUYSVCPXQC-AWEZNQCLSA-N 1 0 308.378 0.942 10 0 DCAERO CN(C)S(=O)(=O)CCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709867101 667445838 /nfs/dbraw/zinc/44/58/38/667445838.db2.gz LPVPXDCOIPVTIU-NXEZZACHSA-N 1 0 317.377 0.337 10 0 DCAERO COC1(OC)CC[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000710971641 667447555 /nfs/dbraw/zinc/44/75/55/667447555.db2.gz UNAVOEZYNQRIKD-GFCCVEGCSA-N 1 0 306.428 0.399 10 0 DCAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000711317490 667458224 /nfs/dbraw/zinc/45/82/24/667458224.db2.gz RTDAGXJTHSXEBV-GRYCIOLGSA-N 1 0 300.424 0.410 10 0 DCAERO Cn1nccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717086549 668575811 /nfs/dbraw/zinc/57/58/11/668575811.db2.gz WFILEGYTVDLNGT-SFYZADRCSA-N 1 0 312.317 0.320 10 0 DCAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CSC(=O)N1 ZINC000155951050 669836578 /nfs/dbraw/zinc/83/65/78/669836578.db2.gz QIYSETXYRHSCJL-LBPRGKRZSA-N 1 0 308.407 0.797 10 0 DCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000713011024 670152661 /nfs/dbraw/zinc/15/26/61/670152661.db2.gz XCWQPMYJRHGJDV-LLVKDONJSA-N 1 0 305.444 0.100 10 0 DCAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000713050617 670152697 /nfs/dbraw/zinc/15/26/97/670152697.db2.gz KOEMMPMEDXLRCB-MNOVXSKESA-N 1 0 305.444 0.146 10 0 DCAERO C[C@H](C(=O)NCC1(S(N)(=O)=O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000713988812 670173395 /nfs/dbraw/zinc/17/33/95/670173395.db2.gz MWECBSYJHOYBOC-GMTAPVOTSA-N 1 0 303.428 0.185 10 0 DCAERO Cn1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)n1 ZINC000714083601 670177660 /nfs/dbraw/zinc/17/76/60/670177660.db2.gz XJFCVYMZCZXWKU-WDEREUQCSA-N 1 0 315.215 0.433 10 0 DCAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)C(=O)NCc1ccco1 ZINC000715197664 670205691 /nfs/dbraw/zinc/20/56/91/670205691.db2.gz HZQYPJWEXSHZTJ-BMQDGWLCSA-N 1 0 300.380 0.450 10 0 DCAERO C[C@@](O)(C[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000818325183 671004044 /nfs/dbraw/zinc/00/40/44/671004044.db2.gz WZMREXLRHKFTCI-XJKSGUPXSA-N 1 0 315.377 0.532 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN([C@@H]3CCOC3=O)CC2)C1 ZINC000105845750 672240851 /nfs/dbraw/zinc/24/08/51/672240851.db2.gz CRKVRMCUNRERAG-HUUCEWRRSA-N 1 0 311.426 0.029 10 0 DCAERO NS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717990669 685303804 /nfs/dbraw/zinc/30/38/04/685303804.db2.gz ZRYDVINKZWTXNE-UHFFFAOYSA-N 1 0 313.423 0.197 10 0 DCAERO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719032194 685307838 /nfs/dbraw/zinc/30/78/38/685307838.db2.gz SUALUFXYDLNEGA-CYBMUJFWSA-N 1 0 318.377 0.581 10 0 DCAERO COCCOCCOCC[NH+]1CCC(C2OCCO2)CC1 ZINC000719108028 685308693 /nfs/dbraw/zinc/30/86/93/685308693.db2.gz HLEOMXDOMGPESS-UHFFFAOYSA-N 1 0 303.399 0.751 10 0 DCAERO C[C@H](CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000720805276 685315504 /nfs/dbraw/zinc/31/55/04/685315504.db2.gz LUDSGQOZPLDMDE-UTLUCORTSA-N 1 0 302.362 0.736 10 0 DCAERO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccns1 ZINC000720201140 685312381 /nfs/dbraw/zinc/31/23/81/685312381.db2.gz HXHIMRFEBPLGMM-JTQLQIEISA-N 1 0 317.436 0.580 10 0 DCAERO COC[C@H](C)OC[C@@H](O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720882033 685316530 /nfs/dbraw/zinc/31/65/30/685316530.db2.gz ZRMBLZMJHVEHPF-UKKRHICBSA-N 1 0 300.321 0.220 10 0 DCAERO Cn1cc(C[NH2+]C[C@H](O)Cn2cccn2)c(Br)n1 ZINC000720673326 685314552 /nfs/dbraw/zinc/31/45/52/685314552.db2.gz AQZHQUCOTPFGHQ-JTQLQIEISA-N 1 0 314.187 0.530 10 0 DCAERO Cc1cc(CS(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)no1 ZINC000720893311 685316577 /nfs/dbraw/zinc/31/65/77/685316577.db2.gz OPAZGFKPVGCWOT-RKDXNWHRSA-N 1 0 313.301 0.634 10 0 DCAERO CO[C@@]1(C[NH2+]C[C@H](O)CC2CCCC2)CCS(=O)(=O)C1 ZINC000720931309 685317596 /nfs/dbraw/zinc/31/75/96/685317596.db2.gz SVCZKFKKEQFUEG-ZIAGYGMSSA-N 1 0 305.440 0.721 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCS(C)(=O)=O)C1 ZINC000246362579 685164110 /nfs/dbraw/zinc/16/41/10/685164110.db2.gz INGXEMLZCNXMIE-NWDGAFQWSA-N 1 0 305.444 0.401 10 0 DCAERO [NH3+]C1(C(=O)NCCOc2ccc3c(c2)OCO3)CCOCC1 ZINC000261934882 685189170 /nfs/dbraw/zinc/18/91/70/685189170.db2.gz WRFVGIHVLRWEME-UHFFFAOYSA-N 1 0 308.334 0.418 10 0 DCAERO CO[C@@H]1CCN(S(=O)(=O)c2ccccc2F)[C@@H](C[NH3+])C1 ZINC000226417015 1157563819 /nfs/dbraw/zinc/56/38/19/1157563819.db2.gz ALIIVAAVUDYQND-GHMZBOCLSA-N 1 0 302.371 0.953 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000053274979 1171799586 /nfs/dbraw/zinc/79/95/86/1171799586.db2.gz QRIABIHYMJQYTN-ZDUSSCGKSA-N 1 0 314.389 0.997 10 0 DCAERO C[NH+](C)CCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000060409546 1172023355 /nfs/dbraw/zinc/02/33/55/1172023355.db2.gz AMVOHNDZQIAGON-GFCCVEGCSA-N 1 0 310.398 0.165 10 0 DCAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000081361294 1174569547 /nfs/dbraw/zinc/56/95/47/1174569547.db2.gz YIXJYDVNOAKCML-GFCCVEGCSA-N 1 0 310.398 0.119 10 0 DCAERO COC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000381855769 1190699214 /nfs/dbraw/zinc/69/92/14/1190699214.db2.gz ZGFRWDCVQGUFMX-LSDHHAIUSA-N 1 0 308.378 0.994 10 0 DCAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CO)C(C)(C)C1 ZINC000300810315 747248228 /nfs/dbraw/zinc/24/82/28/747248228.db2.gz HBFHZMMUACJHBR-VXGBXAGGSA-N 1 0 302.415 0.965 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247221020 282189937 /nfs/dbraw/zinc/18/99/37/282189937.db2.gz YOQYXGZWTQMZLW-BZUAXINKSA-N 1 0 324.469 0.975 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000170857205 282261109 /nfs/dbraw/zinc/26/11/09/282261109.db2.gz ACLTWCVBQDNZQD-LBPRGKRZSA-N 1 0 322.409 0.404 10 0 DCAERO Cc1nc(C(=O)Nc2ccc(OCC[NH3+])cc2)c(=O)[nH]c1C ZINC000181422866 199294415 /nfs/dbraw/zinc/29/44/15/199294415.db2.gz FLFCPYHLRYOAHD-UHFFFAOYSA-N 1 0 302.334 0.977 10 0 DCAERO CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262519025 529861949 /nfs/dbraw/zinc/86/19/49/529861949.db2.gz NXULYRSCDQHTRK-CFVMTHIKSA-N 1 0 322.453 0.234 10 0 DCAERO C[N@H+](CCCS(N)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000171552223 529896115 /nfs/dbraw/zinc/89/61/15/529896115.db2.gz NFJGDQHBBKAJBH-LBPRGKRZSA-N 1 0 313.427 0.056 10 0 DCAERO COc1cc([C@H]([NH3+])CO)cc(I)c1O ZINC000072199829 191074137 /nfs/dbraw/zinc/07/41/37/191074137.db2.gz UOASIMHMWVANOJ-SSDOTTSWSA-N 1 0 309.103 0.998 10 0 DCAERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000150307237 186056967 /nfs/dbraw/zinc/05/69/67/186056967.db2.gz DZESMNUULMAJBT-GFCCVEGCSA-N 1 0 313.423 0.842 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000183837919 186223040 /nfs/dbraw/zinc/22/30/40/186223040.db2.gz XASLHFODMCFGNI-UHFFFAOYSA-N 1 0 314.393 0.844 10 0 DCAERO Cn1ccnc1CNC(=O)c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365718 191135839 /nfs/dbraw/zinc/13/58/39/191135839.db2.gz PYDNBWCCDFHEGF-UHFFFAOYSA-N 1 0 300.366 0.607 10 0 DCAERO CC1CC[NH+](CCNC(=O)CNC(=O)c2ccccn2)CC1 ZINC000172512889 198107898 /nfs/dbraw/zinc/10/78/98/198107898.db2.gz IQLBNTKERRRYCE-UHFFFAOYSA-N 1 0 304.394 0.660 10 0 DCAERO CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000174179814 198303050 /nfs/dbraw/zinc/30/30/50/198303050.db2.gz DNGXYQJYIQZGTE-ZDUSSCGKSA-N 1 0 304.394 0.754 10 0 DCAERO COCC[N@@H+]1CCN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1C ZINC000174735127 198377244 /nfs/dbraw/zinc/37/72/44/198377244.db2.gz OEWHIAWFYOHSBH-ZDUSSCGKSA-N 1 0 306.410 0.940 10 0 DCAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCNC(=O)C2)[C@H]1c1ccccc1 ZINC000248040783 283049181 /nfs/dbraw/zinc/04/91/81/283049181.db2.gz MATWMXYHXVSSIW-UKRRQHHQSA-N 1 0 302.378 0.573 10 0 DCAERO COC(=O)CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128651694 291042192 /nfs/dbraw/zinc/04/21/92/291042192.db2.gz VMMXQROVIFNLAR-OLZOCXBDSA-N 1 0 308.382 0.636 10 0 DCAERO Cc1cc(C)n(-c2nc(CN[C@H]3CCC[NH2+]C3)cc(=O)[nH]2)n1 ZINC000073696257 191343121 /nfs/dbraw/zinc/34/31/21/191343121.db2.gz CRVRWPZNODXEPK-LBPRGKRZSA-N 1 0 302.382 0.826 10 0 DCAERO COC(=O)CNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127938384 291087495 /nfs/dbraw/zinc/08/74/95/291087495.db2.gz MDJSRTBHTCJXCV-OLZOCXBDSA-N 1 0 308.382 0.636 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)NCC[C@@H]2CCC[NH2+]C2)C1=O ZINC000236874070 202046947 /nfs/dbraw/zinc/04/69/47/202046947.db2.gz RGUJLQFXSXOKPN-LBPRGKRZSA-N 1 0 324.425 0.603 10 0 DCAERO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC[NH3+])C2=O ZINC000237646776 291161349 /nfs/dbraw/zinc/16/13/49/291161349.db2.gz QLXUMKCOEUENRO-BDJLRTHQSA-N 1 0 324.425 0.588 10 0 DCAERO O=C1NCC[C@@H]1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000178193478 237222115 /nfs/dbraw/zinc/22/21/15/237222115.db2.gz ISICBISZAVBOMB-NSHDSACASA-N 1 0 309.332 0.462 10 0 DCAERO Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c(C)c1 ZINC000188730600 237378725 /nfs/dbraw/zinc/37/87/25/237378725.db2.gz LXYLGHRYZIFYEY-CQSZACIVSA-N 1 0 312.435 0.991 10 0 DCAERO C[NH2+]CCCNS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000237259518 283520408 /nfs/dbraw/zinc/52/04/08/283520408.db2.gz VAGSEKVVUZWKFV-UHFFFAOYSA-N 1 0 300.380 0.669 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000154506021 291214268 /nfs/dbraw/zinc/21/42/68/291214268.db2.gz KWHZKMIKIWGUDB-GFCCVEGCSA-N 1 0 307.398 0.784 10 0 DCAERO CN(C)c1ncc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000154606387 291214720 /nfs/dbraw/zinc/21/47/20/291214720.db2.gz PAJNYUIRAILVKU-ZDUSSCGKSA-N 1 0 322.413 0.511 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCCNC(=O)C2CC2)CC1 ZINC000157674522 291229070 /nfs/dbraw/zinc/22/90/70/291229070.db2.gz AMVJIGLWFOOVGU-UHFFFAOYSA-N 1 0 310.442 0.934 10 0 DCAERO C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000566772857 291322012 /nfs/dbraw/zinc/32/20/12/291322012.db2.gz JLGHGHNSAULNRG-CLYHDOLNSA-N 1 0 305.440 0.384 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000091193859 193016918 /nfs/dbraw/zinc/01/69/18/193016918.db2.gz MEEOOWKPVQSMBN-LBPRGKRZSA-N 1 0 322.409 0.479 10 0 DCAERO CNC(=O)c1ccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000266009964 205024713 /nfs/dbraw/zinc/02/47/13/205024713.db2.gz NBTKGEZUMYEVQT-TXEJJXNPSA-N 1 0 307.398 0.747 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000020024390 182180130 /nfs/dbraw/zinc/18/01/30/182180130.db2.gz KVEHUSAYHXJOJM-GFCCVEGCSA-N 1 0 302.371 0.246 10 0 DCAERO O=S(=O)(Cc1ccccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000573075731 291608877 /nfs/dbraw/zinc/60/88/77/291608877.db2.gz LLGZUXJBHSINCU-QWHCGFSZSA-N 1 0 300.355 0.328 10 0 DCAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000037537961 182906245 /nfs/dbraw/zinc/90/62/45/182906245.db2.gz JRKZUVJJUWMBMD-BETUJISGSA-N 1 0 319.471 0.804 10 0 DCAERO CN1CCN(Nc2[nH+]cnc(Nc3ccccn3)c2N)CC1 ZINC000040756869 183129918 /nfs/dbraw/zinc/12/99/18/183129918.db2.gz JGVLSKWMOQSKBW-UHFFFAOYSA-N 1 0 300.370 0.772 10 0 DCAERO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105112176 194075151 /nfs/dbraw/zinc/07/51/51/194075151.db2.gz LHBOUADDRHFISG-UHFFFAOYSA-N 1 0 323.485 0.502 10 0 DCAERO C[C@H](CNC(=O)N1CCN(c2cccnn2)CC1)[N@H+](C)C1CC1 ZINC000105264125 194089592 /nfs/dbraw/zinc/08/95/92/194089592.db2.gz XXJVCUDIGFJEFB-CYBMUJFWSA-N 1 0 318.425 0.791 10 0 DCAERO CCNC(=O)CC[NH+]1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000105868774 194151955 /nfs/dbraw/zinc/15/19/55/194151955.db2.gz YVBMSHAGGZZEBQ-UHFFFAOYSA-N 1 0 321.425 0.832 10 0 DCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873799 194153134 /nfs/dbraw/zinc/15/31/34/194153134.db2.gz ROSNWNISJZEVNY-MNOVXSKESA-N 1 0 322.413 0.540 10 0 DCAERO C[NH+](C)C[C@H]1CN(CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000105927182 194172801 /nfs/dbraw/zinc/17/28/01/194172801.db2.gz UUZODZKHCZYPOQ-KRWDZBQOSA-N 1 0 317.433 0.834 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246801 183778917 /nfs/dbraw/zinc/77/89/17/183778917.db2.gz UFMSFAVKEKZVTO-JTQLQIEISA-N 1 0 316.379 0.652 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063175321 184276293 /nfs/dbraw/zinc/27/62/93/184276293.db2.gz 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ICPMSCSMLQCUBF-UHFFFAOYSA-N 1 0 319.449 0.949 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000068486297 396057476 /nfs/dbraw/zinc/05/74/76/396057476.db2.gz HDCPZRYJRSEIPB-CQSZACIVSA-N 1 0 319.405 0.978 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)CC[C@H]3CC[NH2+]C3)C2)cn1 ZINC000261730238 396060268 /nfs/dbraw/zinc/06/02/68/396060268.db2.gz FUFHIWVIKOLPAI-UONOGXRCSA-N 1 0 305.426 0.895 10 0 DCAERO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCOCC1 ZINC000261754517 396062260 /nfs/dbraw/zinc/06/22/60/396062260.db2.gz PESYOXSUGQNPTN-UHFFFAOYSA-N 1 0 317.389 0.479 10 0 DCAERO Cc1nnnn1-c1cc(NC(=O)C2([NH3+])CCOCC2)ccc1F ZINC000261763028 396063721 /nfs/dbraw/zinc/06/37/21/396063721.db2.gz GCKGRJJJVCILSE-UHFFFAOYSA-N 1 0 320.328 0.556 10 0 DCAERO COC(=O)COc1ccc(NC(=O)C2([NH3+])CCOCC2)c(C)c1 ZINC000261815004 396069037 /nfs/dbraw/zinc/06/90/37/396069037.db2.gz JXPFTWQCYQEURC-UHFFFAOYSA-N 1 0 322.361 0.993 10 0 DCAERO Cn1ncc2c1nc(NC[C@H](O)C[NH+]1CCCCC1)nc2N ZINC000276519993 396006232 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/nfs/dbraw/zinc/10/10/48/396101048.db2.gz BOBTZMIOBZNBLN-OAHLLOKOSA-N 1 0 319.405 0.500 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070575316 396102858 /nfs/dbraw/zinc/10/28/58/396102858.db2.gz IJSBEAFQNZTTPF-NWDGAFQWSA-N 1 0 311.407 0.931 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1cn(-c2ccc(F)cc2)nc1C ZINC000262181651 396107688 /nfs/dbraw/zinc/10/76/88/396107688.db2.gz BOXOKERWFIIGAD-CQSZACIVSA-N 1 0 306.341 0.910 10 0 DCAERO O=C(CSCC(=O)c1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262294564 396120033 /nfs/dbraw/zinc/12/00/33/396120033.db2.gz OXZKHXOECKCSNL-OLZOCXBDSA-N 1 0 308.403 0.299 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262308874 396121622 /nfs/dbraw/zinc/12/16/22/396121622.db2.gz QGJZFZRXEFLSAS-JQWIXIFHSA-N 1 0 321.402 0.431 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C[C@@H]1CCOC1 ZINC000171964888 396127347 /nfs/dbraw/zinc/12/73/47/396127347.db2.gz IPIZHGAYEJEZTD-CHWSQXEVSA-N 1 0 306.428 0.053 10 0 DCAERO O=C(CN1CC[C@H](N2CCOCC2)C1)NC(=O)NC1CCCC1 ZINC000173985080 396137116 /nfs/dbraw/zinc/13/71/16/396137116.db2.gz PNANLTQWUBYJPC-AWEZNQCLSA-N 1 0 324.425 0.161 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000174434949 396137741 /nfs/dbraw/zinc/13/77/41/396137741.db2.gz ICXKHRUYOBMMRH-CHWSQXEVSA-N 1 0 321.450 0.657 10 0 DCAERO CC(C)[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000262425412 396139113 /nfs/dbraw/zinc/13/91/13/396139113.db2.gz SEJUHQCTUKLCFA-SWLSCSKDSA-N 1 0 317.393 0.921 10 0 DCAERO [NH3+]C1(C(=O)NCC(=O)N2CCc3ccccc32)CCOCC1 ZINC000261919754 396079727 /nfs/dbraw/zinc/07/97/27/396079727.db2.gz UWCHJEJHVGJFKO-UHFFFAOYSA-N 1 0 303.362 0.200 10 0 DCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261928232 396080362 /nfs/dbraw/zinc/08/03/62/396080362.db2.gz ZNURBBGLJAIWAC-UKRRQHHQSA-N 1 0 311.426 0.648 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261950451 396083397 /nfs/dbraw/zinc/08/33/97/396083397.db2.gz 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/nfs/dbraw/zinc/17/99/22/396179922.db2.gz MGEIIIWSVNRSCQ-AGIUHOORSA-N 1 0 319.409 0.582 10 0 DCAERO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000262786363 396182183 /nfs/dbraw/zinc/18/21/83/396182183.db2.gz QPQOPVLGBJCMBJ-LLVKDONJSA-N 1 0 313.423 0.665 10 0 DCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000262787501 396182387 /nfs/dbraw/zinc/18/23/87/396182387.db2.gz MYCJHYSBQAGBAV-JBBSTSQOSA-N 1 0 311.426 0.679 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262859020 396187781 /nfs/dbraw/zinc/18/77/81/396187781.db2.gz TWTKLTOPCJTNDQ-UTLUCORTSA-N 1 0 307.316 0.511 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC[NH2+]1 ZINC000262875878 396189261 /nfs/dbraw/zinc/18/92/61/396189261.db2.gz MVCTZGPDBZJQLA-GHMZBOCLSA-N 1 0 316.361 0.359 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075962080 396191086 /nfs/dbraw/zinc/19/10/86/396191086.db2.gz MFLDMHDWQPTZRV-QLFBSQMISA-N 1 0 313.442 0.011 10 0 DCAERO Oc1ccc(Br)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263158289 396203408 /nfs/dbraw/zinc/20/34/08/396203408.db2.gz DPNVXQWCVXGCHR-JOYOIKCWSA-N 1 0 301.184 0.825 10 0 DCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000263153335 396203428 /nfs/dbraw/zinc/20/34/28/396203428.db2.gz DFPBAQOANXILAU-QWRGUYRKSA-N 1 0 302.321 0.967 10 0 DCAERO C[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCC[NH2+]1 ZINC000180905273 396235234 /nfs/dbraw/zinc/23/52/34/396235234.db2.gz CQLUSEQIRROIRG-LBPRGKRZSA-N 1 0 317.436 0.544 10 0 DCAERO Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2CSCCS2)cn1 ZINC000181420602 396238867 /nfs/dbraw/zinc/23/88/67/396238867.db2.gz WDLCSFODKSDLPH-NWDGAFQWSA-N 1 0 312.464 0.742 10 0 DCAERO C[C@@H](C[S@@](C)=O)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000182276610 396248918 /nfs/dbraw/zinc/24/89/18/396248918.db2.gz GJHPUDRYOYUFEZ-FKIZINRSSA-N 1 0 305.444 0.165 10 0 DCAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000263444097 396217232 /nfs/dbraw/zinc/21/72/32/396217232.db2.gz FJVIEXVXVRAKGH-UHFFFAOYSA-N 1 0 324.425 0.414 10 0 DCAERO O=c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)nc2ccc(Cl)cn12 ZINC000179185357 396224352 /nfs/dbraw/zinc/22/43/52/396224352.db2.gz YQUMUGXGMZWPID-NEPJUHHUSA-N 1 0 309.753 0.275 10 0 DCAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184942767 396311443 /nfs/dbraw/zinc/31/14/43/396311443.db2.gz RQQNUOMWRMSTPG-OCCSQVGLSA-N 1 0 321.425 0.727 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000080788422 396286934 /nfs/dbraw/zinc/28/69/34/396286934.db2.gz FQWQXVIQYJOSSS-ZDUSSCGKSA-N 1 0 318.425 0.182 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000080788414 396286959 /nfs/dbraw/zinc/28/69/59/396286959.db2.gz FQWQXVIQYJOSSS-CYBMUJFWSA-N 1 0 318.425 0.182 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCn2ccnc21 ZINC000184396118 396293662 /nfs/dbraw/zinc/29/36/62/396293662.db2.gz VCBZFXQZKGPZDQ-CABCVRRESA-N 1 0 319.453 0.903 10 0 DCAERO CC1(Cn2cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)nn2)COC1 ZINC000184560255 396298442 /nfs/dbraw/zinc/29/84/42/396298442.db2.gz HODKYIZMBKBVBD-UHFFFAOYSA-N 1 0 319.409 0.625 10 0 DCAERO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C(N)=O ZINC000081625587 396306100 /nfs/dbraw/zinc/30/61/00/396306100.db2.gz MXQBWXZFGFNHJJ-YRGRVCCFSA-N 1 0 311.426 0.646 10 0 DCAERO CNC(=O)C1CN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000186176997 396343032 /nfs/dbraw/zinc/34/30/32/396343032.db2.gz HKIUVAWFNKUWLK-UHFFFAOYSA-N 1 0 305.378 0.445 10 0 DCAERO COc1ccc(O)c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285907630 396361254 /nfs/dbraw/zinc/36/12/54/396361254.db2.gz TWLUHKCIMHISJQ-HIFRSBDPSA-N 1 0 306.362 0.946 10 0 DCAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000187096912 396363018 /nfs/dbraw/zinc/36/30/18/396363018.db2.gz JBQNNYYRJMEJNB-KGLIPLIRSA-N 1 0 321.425 0.792 10 0 DCAERO Cc1nnc([C@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2)[nH]1 ZINC000187657033 396372063 /nfs/dbraw/zinc/37/20/63/396372063.db2.gz DZQGXZKIVDXHFR-CHWSQXEVSA-N 1 0 301.350 0.307 10 0 DCAERO O=C(c1cnc2n(c1=O)CCS2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186543627 396352309 /nfs/dbraw/zinc/35/23/09/396352309.db2.gz MUTLEWQIERZXRP-SNVBAGLBSA-N 1 0 320.418 0.706 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000188364417 396381852 /nfs/dbraw/zinc/38/18/52/396381852.db2.gz PGFNIBDPIXJSHB-LBPRGKRZSA-N 1 0 312.414 0.017 10 0 DCAERO C[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCN1CCO ZINC000188771252 396386058 /nfs/dbraw/zinc/38/60/58/396386058.db2.gz HGNPXGSGLJXLAR-LBPRGKRZSA-N 1 0 324.425 0.825 10 0 DCAERO COCCN1[C@H](C)CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C ZINC000188974490 396389329 /nfs/dbraw/zinc/38/93/29/396389329.db2.gz FMECQKUMNNREBT-VXGBXAGGSA-N 1 0 321.425 0.237 10 0 DCAERO C[C@@H]1CN(CC[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)CCO1 ZINC000191485672 396420328 /nfs/dbraw/zinc/42/03/28/396420328.db2.gz ZNMLZCPSORXXFD-MRXNPFEDSA-N 1 0 321.469 0.649 10 0 DCAERO CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000580942077 396512442 /nfs/dbraw/zinc/51/24/42/396512442.db2.gz CIXGMGIHUVXMIP-GXSJLCMTSA-N 1 0 304.341 0.246 10 0 DCAERO NC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000193255430 396447738 /nfs/dbraw/zinc/44/77/38/396447738.db2.gz LEWVCLFQMJCYOS-OCCSQVGLSA-N 1 0 307.369 0.810 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193403129 396450173 /nfs/dbraw/zinc/45/01/73/396450173.db2.gz NBTSBYYSVFSWLW-BDAKNGLRSA-N 1 0 318.420 0.811 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000193385669 396450221 /nfs/dbraw/zinc/45/02/21/396450221.db2.gz MYGKQCJEJHVVDE-GFCCVEGCSA-N 1 0 322.413 0.483 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)oc1C ZINC000193397271 396450323 /nfs/dbraw/zinc/45/03/23/396450323.db2.gz GDCZFURRTXIODJ-KWQFWETISA-N 1 0 316.379 0.651 10 0 DCAERO CC(=O)N(C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000371591010 396471783 /nfs/dbraw/zinc/47/17/83/396471783.db2.gz QOZYWFFSCVKXGT-OAHLLOKOSA-N 1 0 310.442 0.093 10 0 DCAERO 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CC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000601220163 397025722 /nfs/dbraw/zinc/02/57/22/397025722.db2.gz UWGPUQSCDJYEMX-HNNXBMFYSA-N 1 0 308.426 0.875 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000630567138 397048506 /nfs/dbraw/zinc/04/85/06/397048506.db2.gz JBFVGQBYUAVDCR-OAHLLOKOSA-N 1 0 302.378 0.741 10 0 DCAERO COc1ncnc(OC)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000592441700 397179712 /nfs/dbraw/zinc/17/97/12/397179712.db2.gz VXUFZTQRPKMLHO-UHFFFAOYSA-N 1 0 320.353 0.504 10 0 DCAERO Cc1noc(C2(C)CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000364696222 397235136 /nfs/dbraw/zinc/23/51/36/397235136.db2.gz LHCSJPAPNLYVLM-CQSZACIVSA-N 1 0 324.425 0.425 10 0 DCAERO C[C@H]1CCOCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000378519329 397250515 /nfs/dbraw/zinc/25/05/15/397250515.db2.gz MXYPPUNMSXZETF-AWEZNQCLSA-N 1 0 312.458 0.833 10 0 DCAERO Cc1nc(C)c(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)s1 ZINC000381784457 397271996 /nfs/dbraw/zinc/27/19/96/397271996.db2.gz FMXIDCBFRGUTON-JTQLQIEISA-N 1 0 305.425 0.168 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000381347988 397272508 /nfs/dbraw/zinc/27/25/08/397272508.db2.gz DOSJBQLAYZEWLQ-ZJUUUORDSA-N 1 0 316.345 0.579 10 0 DCAERO O=S(=O)(NC1CC1)[C@H]1CCN(Cc2c[nH]c3nccnc23)C1 ZINC000365618229 397300845 /nfs/dbraw/zinc/30/08/45/397300845.db2.gz HBHGFMFWBSCTNJ-LBPRGKRZSA-N 1 0 321.406 0.566 10 0 DCAERO CC(C)(NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1nccs1 ZINC000394083277 397308263 /nfs/dbraw/zinc/30/82/63/397308263.db2.gz MDULFQJNAIINOP-VIFPVBQESA-N 1 0 305.425 0.286 10 0 DCAERO CC(C)(C)c1nnnn1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000620883351 397313362 /nfs/dbraw/zinc/31/33/62/397313362.db2.gz OYHLESGHKBHYHR-UHFFFAOYSA-N 1 0 306.414 0.714 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106528 397338111 /nfs/dbraw/zinc/33/81/11/397338111.db2.gz UNPYYAWDVFCBAH-BDAKNGLRSA-N 1 0 318.420 0.954 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000408044758 397344882 /nfs/dbraw/zinc/34/48/82/397344882.db2.gz ORXDKSCWRFWRIH-BFHYXJOUSA-N 1 0 320.455 0.178 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)C2(S(C)(=O)=O)CCC2)CC[N@@H+]1C ZINC000408313671 397352387 /nfs/dbraw/zinc/35/23/87/397352387.db2.gz LMVSJBHZZIGRCC-VXGBXAGGSA-N 1 0 302.440 0.895 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)CN1Cc1ccccc1 ZINC000459706521 397435236 /nfs/dbraw/zinc/43/52/36/397435236.db2.gz VYNRBMIOUSQKJH-DJIMGWMZSA-N 1 0 315.421 0.892 10 0 DCAERO CN(CCCO)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000460039503 397442120 /nfs/dbraw/zinc/44/21/20/397442120.db2.gz XZCHMDAYRGYVNP-AWEZNQCLSA-N 1 0 311.426 0.304 10 0 DCAERO CCc1nncn1CCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000579425196 397564592 /nfs/dbraw/zinc/56/45/92/397564592.db2.gz DNHRCPQUDOIKOM-HNNXBMFYSA-N 1 0 306.414 0.578 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000579656526 397585982 /nfs/dbraw/zinc/58/59/82/397585982.db2.gz SICJJJFLNNIUTE-IINYFYTJSA-N 1 0 301.350 0.526 10 0 DCAERO O=C(NCCCC1CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000605978238 397676241 /nfs/dbraw/zinc/67/62/41/397676241.db2.gz YJWXKYHZOHYFLU-MRXNPFEDSA-N 1 0 324.469 0.882 10 0 DCAERO COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)N(C)CCC(C)C)C1 ZINC000065376322 292178969 /nfs/dbraw/zinc/17/89/69/292178969.db2.gz CCRCPLSUYIOOBV-CZUORRHYSA-N 1 0 311.426 0.185 10 0 DCAERO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408198908 289238466 /nfs/dbraw/zinc/23/84/66/289238466.db2.gz OZPQNAJDBIEZAT-STQMWFEESA-N 1 0 306.472 0.997 10 0 DCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[N@H+](C)CCOC ZINC000087087030 158091674 /nfs/dbraw/zinc/09/16/74/158091674.db2.gz OBCGIOVGSSMUTQ-GFCCVEGCSA-N 1 0 324.429 0.553 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCOC)C(=O)C1 ZINC000091701788 158109380 /nfs/dbraw/zinc/10/93/80/158109380.db2.gz HJWTUNSZLIODQZ-CYBMUJFWSA-N 1 0 314.430 0.217 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000105876692 158131119 /nfs/dbraw/zinc/13/11/19/158131119.db2.gz 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158145228 /nfs/dbraw/zinc/14/52/28/158145228.db2.gz VMQGOINWQFCRAA-CMPLNLGQSA-N 1 0 322.438 0.795 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000113233613 158145401 /nfs/dbraw/zinc/14/54/01/158145401.db2.gz MJJTVCBEMDMTOT-GHMZBOCLSA-N 1 0 308.382 0.012 10 0 DCAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2=NNC(=O)CC2)[C@H](C)C1 ZINC000115487416 158161209 /nfs/dbraw/zinc/16/12/09/158161209.db2.gz MVSCRKIFNCBXCG-OLZOCXBDSA-N 1 0 324.425 0.506 10 0 DCAERO NS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115632263 158162449 /nfs/dbraw/zinc/16/24/49/158162449.db2.gz BJMRBRMJRPBISQ-CQSZACIVSA-N 1 0 313.423 0.225 10 0 DCAERO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116467511 158166425 /nfs/dbraw/zinc/16/64/25/158166425.db2.gz FMYMAIQQLBZGDQ-DOMZBBRYSA-N 1 0 304.394 0.544 10 0 DCAERO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119175805 158183924 /nfs/dbraw/zinc/18/39/24/158183924.db2.gz ODZHVRUXGAFXOD-DGCLKSJQSA-N 1 0 320.393 0.014 10 0 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IYBDYSVKIMOGBL-NWDGAFQWSA-N 1 0 320.459 0.050 10 0 DCAERO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000130096118 158293402 /nfs/dbraw/zinc/29/34/02/158293402.db2.gz YZUUSMKKKCWCTH-CYBMUJFWSA-N 1 0 313.442 0.805 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000132679128 158313189 /nfs/dbraw/zinc/31/31/89/158313189.db2.gz CFXKVDSOLMXKQY-GFCCVEGCSA-N 1 0 301.416 0.244 10 0 DCAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134374234 158327481 /nfs/dbraw/zinc/32/74/81/158327481.db2.gz AOZASRCUYPSVJW-AWEZNQCLSA-N 1 0 319.453 0.926 10 0 DCAERO CS[C@H]1CCCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000134561977 158328673 /nfs/dbraw/zinc/32/86/73/158328673.db2.gz CSQKGSPOILZFOI-STQMWFEESA-N 1 0 313.467 0.928 10 0 DCAERO Cc1c(CCC(=O)NC[C@@H]2CN(C3CC3)CCO2)cnn1C ZINC000134813429 158331169 /nfs/dbraw/zinc/33/11/69/158331169.db2.gz LHEYGDWPWYEEJG-OAHLLOKOSA-N 1 0 306.410 0.641 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171038371 158379535 /nfs/dbraw/zinc/37/95/35/158379535.db2.gz JMMCXAOAMOVIFY-AAEUAGOBSA-N 1 0 308.430 0.931 10 0 DCAERO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000171380057 158381653 /nfs/dbraw/zinc/38/16/53/158381653.db2.gz HOWOUETUFXSXQW-KBPBESRZSA-N 1 0 310.394 0.366 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171387340 158382514 /nfs/dbraw/zinc/38/25/14/158382514.db2.gz PVXIBKCTYLNYHO-CYBMUJFWSA-N 1 0 311.426 0.472 10 0 DCAERO O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171474201 158383134 /nfs/dbraw/zinc/38/31/34/158383134.db2.gz JUYJITLYYOBNHV-UHFFFAOYSA-N 1 0 313.357 0.881 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171606486 158384312 /nfs/dbraw/zinc/38/43/12/158384312.db2.gz LFBACLOZOWBWES-UHFFFAOYSA-N 1 0 322.409 0.405 10 0 DCAERO CC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1CCOC ZINC000171573585 158384749 /nfs/dbraw/zinc/38/47/49/158384749.db2.gz LVLQLIJYYYESJB-GFCCVEGCSA-N 1 0 300.403 0.004 10 0 DCAERO CNC(=O)NC(=O)CC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000171624891 158384827 /nfs/dbraw/zinc/38/48/27/158384827.db2.gz TXBNBALXXGBIJM-UHFFFAOYSA-N 1 0 307.398 0.520 10 0 DCAERO NS(=O)(=O)CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000171821205 158387368 /nfs/dbraw/zinc/38/73/68/158387368.db2.gz HKAZOJDOKUHAFV-UHFFFAOYSA-N 1 0 323.422 0.587 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172035042 158389984 /nfs/dbraw/zinc/38/99/84/158389984.db2.gz GAAQKZCXGOJHAJ-NTQSIJHJSA-N 1 0 323.437 0.158 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000172038248 158390483 /nfs/dbraw/zinc/39/04/83/158390483.db2.gz FPRRFAHMTDMAHJ-CHWSQXEVSA-N 1 0 318.425 0.645 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)CCO1 ZINC000172131178 158391118 /nfs/dbraw/zinc/39/11/18/158391118.db2.gz DISODWUYUHOCDW-GFCCVEGCSA-N 1 0 314.430 0.121 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172583539 158396402 /nfs/dbraw/zinc/39/64/02/158396402.db2.gz 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/nfs/dbraw/zinc/79/71/31/158797131.db2.gz QBWPUJAEQDPFSY-CYBMUJFWSA-N 1 0 304.394 0.600 10 0 DCAERO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000262504546 158819398 /nfs/dbraw/zinc/81/93/98/158819398.db2.gz JAJDQLXCTFGPMV-YNEHKIRRSA-N 1 0 311.426 0.232 10 0 DCAERO O=C(NC1CC[NH2+]CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000262512925 158820615 /nfs/dbraw/zinc/82/06/15/158820615.db2.gz PFMYJOPEEPBMNJ-CYBMUJFWSA-N 1 0 311.451 0.946 10 0 DCAERO CSC[C@H](CCO)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262699606 158834335 /nfs/dbraw/zinc/83/43/35/158834335.db2.gz BWBOFLUXGRLKQA-NWDGAFQWSA-N 1 0 312.439 0.651 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]21 ZINC000329181931 159070841 /nfs/dbraw/zinc/07/08/41/159070841.db2.gz NPOGBIUGLVIZOU-HZPDHXFCSA-N 1 0 314.389 0.968 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000329368607 159086537 /nfs/dbraw/zinc/08/65/37/159086537.db2.gz ADCUVCXGBRGPFE-ZIAGYGMSSA-N 1 0 319.471 0.111 10 0 DCAERO C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000329787004 159119319 /nfs/dbraw/zinc/11/93/19/159119319.db2.gz QXMNDONYRARAPA-LBPRGKRZSA-N 1 0 303.428 0.013 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc3c2ncnc3N)CC[N@@H+]1C ZINC000329926255 159129710 /nfs/dbraw/zinc/12/97/10/159129710.db2.gz KMMLOXNOIKTXMA-MNOVXSKESA-N 1 0 317.397 0.350 10 0 DCAERO CO[C@]1(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCOC1 ZINC000329945228 159130973 /nfs/dbraw/zinc/13/09/73/159130973.db2.gz IWDXZMFXZHHVEC-CZUORRHYSA-N 1 0 312.410 0.504 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000330278208 159156316 /nfs/dbraw/zinc/15/63/16/159156316.db2.gz PICRIMDBPBQTGB-UHFFFAOYSA-N 1 0 304.803 0.542 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(Cc2ccon2)CC1 ZINC000330302467 159158168 /nfs/dbraw/zinc/15/81/68/159158168.db2.gz JMISDIZKADAJDQ-HNNXBMFYSA-N 1 0 304.394 0.946 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1=O ZINC000332838678 159214212 /nfs/dbraw/zinc/21/42/12/159214212.db2.gz 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10 0 DCAERO CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000408380202 160096025 /nfs/dbraw/zinc/09/60/25/160096025.db2.gz VHPYTTJZFXKBSR-IACUBPJLSA-N 1 0 308.426 0.779 10 0 DCAERO CC[NH+]1C[C@H](C)N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)[C@@H](C)C1 ZINC000408466181 160114270 /nfs/dbraw/zinc/11/42/70/160114270.db2.gz KPFFLQZSRFWMRI-OFQRWUPVSA-N 1 0 324.469 0.528 10 0 DCAERO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)CN1CCOCC1 ZINC000132660158 287006278 /nfs/dbraw/zinc/00/62/78/287006278.db2.gz FFGVKIRJSJGQHB-OAHLLOKOSA-N 1 0 312.410 0.730 10 0 DCAERO COCCN1CCN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1C ZINC000139357938 287029226 /nfs/dbraw/zinc/02/92/26/287029226.db2.gz GCTWFCNERBOVIU-ZDUSSCGKSA-N 1 0 309.414 0.697 10 0 DCAERO COC[C@@H](O)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152355012 287040993 /nfs/dbraw/zinc/04/09/93/287040993.db2.gz ZUUREPXHZKJPRN-KGLIPLIRSA-N 1 0 301.431 0.803 10 0 DCAERO CC(=O)N[C@@H](CC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000153046923 287046446 /nfs/dbraw/zinc/04/64/46/287046446.db2.gz DPSMHRSAMNJHMS-DOTOQJQBSA-N 1 0 321.421 0.683 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000153279405 287048680 /nfs/dbraw/zinc/04/86/80/287048680.db2.gz JISVKSORVGFFRW-NSHDSACASA-N 1 0 307.398 0.831 10 0 DCAERO CC[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153375531 287049917 /nfs/dbraw/zinc/04/99/17/287049917.db2.gz KQXPGFPFASFQOC-CYBMUJFWSA-N 1 0 319.396 0.897 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000180998208 287055976 /nfs/dbraw/zinc/05/59/76/287055976.db2.gz JSAOSPYCYONRJE-ZDUSSCGKSA-N 1 0 322.409 0.416 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424126 287069264 /nfs/dbraw/zinc/06/92/64/287069264.db2.gz JXCRVQAUCITWQR-GJZGRUSLSA-N 1 0 324.469 0.387 10 0 DCAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCOC1 ZINC000246473736 287083978 /nfs/dbraw/zinc/08/39/78/287083978.db2.gz FLHGJTCHDIGZIR-HOTGVXAUSA-N 1 0 319.405 0.494 10 0 DCAERO CC[C@@H]1CN(C(=O)NCC(C)(C)OC)CC[N@@H+]1C[C@H](C)O ZINC000248503312 287098059 /nfs/dbraw/zinc/09/80/59/287098059.db2.gz UWWMDGYPIKAWLC-QWHCGFSZSA-N 1 0 301.431 0.898 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C2CCOCC2)C[C@H]1C ZINC000248590498 287098198 /nfs/dbraw/zinc/09/81/98/287098198.db2.gz GZXXGNYEMJCXAV-RDBSUJKOSA-N 1 0 313.442 0.898 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249146340 287106886 /nfs/dbraw/zinc/10/68/86/287106886.db2.gz GLBJUHKBLXMRRN-MELADBBJSA-N 1 0 321.487 0.906 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)[C@H](C)CO1 ZINC000252466364 287120671 /nfs/dbraw/zinc/12/06/71/287120671.db2.gz YHVASBQBAMBFMY-UPJWGTAASA-N 1 0 305.444 0.366 10 0 DCAERO O=C(COc1ccc(F)cc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262057349 287127521 /nfs/dbraw/zinc/12/75/21/287127521.db2.gz AOVDFZPAQJSRBO-KCJUWKMLSA-N 1 0 302.733 0.554 10 0 DCAERO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179480718 287182446 /nfs/dbraw/zinc/18/24/46/287182446.db2.gz CNOZNBUGAWOHHB-VHDGCEQUSA-N 1 0 316.405 0.962 10 0 DCAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000036297135 415189797 /nfs/dbraw/zinc/18/97/97/415189797.db2.gz WFRPKFOKLTYYTN-VIFPVBQESA-N 1 0 311.363 0.129 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CO)C2CCCC2)C1 ZINC000352675317 415275897 /nfs/dbraw/zinc/27/58/97/415275897.db2.gz FVDYVLXSWGKZEN-JSGCOSHPSA-N 1 0 304.456 0.799 10 0 DCAERO NC(=O)c1ccc(C(=O)NCCCC[NH+]2CCOCC2)nc1 ZINC000063506141 415350935 /nfs/dbraw/zinc/35/09/35/415350935.db2.gz GFIBJQTYPPKRHL-UHFFFAOYSA-N 1 0 306.366 0.023 10 0 DCAERO C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000332348391 415354085 /nfs/dbraw/zinc/35/40/85/415354085.db2.gz UFNLRWDQTPJVKF-TYNCELHUSA-N 1 0 318.373 0.346 10 0 DCAERO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])[C@@H]1O ZINC000071607088 415410246 /nfs/dbraw/zinc/41/02/46/415410246.db2.gz VBMBXQGSXMXDJC-OUAUKWLOSA-N 1 0 316.398 0.883 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000075836350 415452148 /nfs/dbraw/zinc/45/21/48/415452148.db2.gz SGCLIEWIBMBWFQ-NSHDSACASA-N 1 0 310.398 0.307 10 0 DCAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1(C(N)=O)CCCC1 ZINC000093211946 415546435 /nfs/dbraw/zinc/54/64/35/415546435.db2.gz CSTNNVQKNASUTN-GFCCVEGCSA-N 1 0 317.455 0.388 10 0 DCAERO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CCO)C1 ZINC000095380206 415559219 /nfs/dbraw/zinc/55/92/19/415559219.db2.gz OWQOHQJBTJSQLD-AWEZNQCLSA-N 1 0 308.426 0.923 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333300003 415603316 /nfs/dbraw/zinc/60/33/16/415603316.db2.gz MDKRXPMXLRPOHI-ZIAGYGMSSA-N 1 0 320.441 0.537 10 0 DCAERO CCc1ncc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000285823239 415618362 /nfs/dbraw/zinc/61/83/62/415618362.db2.gz FKJLIBOJYXGARF-OLZOCXBDSA-N 1 0 305.382 0.976 10 0 DCAERO C[C@@H]1CN(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947433 415627298 /nfs/dbraw/zinc/62/72/98/415627298.db2.gz 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415733248 /nfs/dbraw/zinc/73/32/48/415733248.db2.gz KTPSUSMUYMMZRS-PRWKNARSSA-N 1 0 305.444 0.163 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1nc(C)no1 ZINC000111849186 415698554 /nfs/dbraw/zinc/69/85/54/415698554.db2.gz NLBDKHPCSVOBSC-GFCCVEGCSA-N 1 0 311.386 0.331 10 0 DCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000333645071 415704710 /nfs/dbraw/zinc/70/47/10/415704710.db2.gz XYVXPYOSMIGZGZ-MCIONIFRSA-N 1 0 307.398 0.691 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCc2ccnn2C)CC1 ZINC000120140916 415757826 /nfs/dbraw/zinc/75/78/26/415757826.db2.gz VQBNCRDXIFAKOY-HNNXBMFYSA-N 1 0 321.469 0.743 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CSCC(N)=O ZINC000124019298 415845416 /nfs/dbraw/zinc/84/54/16/415845416.db2.gz NKYOXAVUJAKLEK-CYBMUJFWSA-N 1 0 309.435 0.494 10 0 DCAERO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000123826296 415847403 /nfs/dbraw/zinc/84/74/03/415847403.db2.gz UAKCWTCQNGWJLX-ZIAGYGMSSA-N 1 0 312.458 0.831 10 0 DCAERO 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/nfs/dbraw/zinc/07/55/43/416075543.db2.gz QEEPRUSAQFHOPK-ZDUSSCGKSA-N 1 0 319.409 0.332 10 0 DCAERO CCONC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000166529224 416020674 /nfs/dbraw/zinc/02/06/74/416020674.db2.gz FQWRRFGGVILSBN-CQSZACIVSA-N 1 0 314.430 0.374 10 0 DCAERO Cc1noc(-c2cccnc2NC[C@H]2CN3CCN2CC3)n1 ZINC000301752354 416090878 /nfs/dbraw/zinc/09/08/78/416090878.db2.gz BLNKBXDNASYAFA-LBPRGKRZSA-N 1 0 300.366 0.852 10 0 DCAERO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000175210055 416099227 /nfs/dbraw/zinc/09/92/27/416099227.db2.gz QXYPBRRUFLOPDA-AWEZNQCLSA-N 1 0 319.405 0.899 10 0 DCAERO COC[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccco1 ZINC000175273868 416100699 /nfs/dbraw/zinc/10/06/99/416100699.db2.gz PSVVPQNFOSOKIK-STQMWFEESA-N 1 0 311.382 0.987 10 0 DCAERO O=C(CNC(=O)c1cccnc1)NCc1ccn2ccnc2c1 ZINC000178073734 416156051 /nfs/dbraw/zinc/15/60/51/416156051.db2.gz KQMRXHMUFVVMKG-UHFFFAOYSA-N 1 0 309.329 0.776 10 0 DCAERO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@](O)(CO)C1 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/nfs/dbraw/zinc/27/45/34/416274534.db2.gz KUSPLMIOIHOGSS-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000193476342 416317808 /nfs/dbraw/zinc/31/78/08/416317808.db2.gz HKZLKWWOGRCLBB-CYBMUJFWSA-N 1 0 320.393 0.426 10 0 DCAERO CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000358824123 416280328 /nfs/dbraw/zinc/28/03/28/416280328.db2.gz JSNSFXLREDCSMW-RWMBFGLXSA-N 1 0 313.442 0.763 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000190766352 416281601 /nfs/dbraw/zinc/28/16/01/416281601.db2.gz RVHQYQDVFYOOAY-RRFJBIMHSA-N 1 0 315.458 0.880 10 0 DCAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cnns1)c1ccccc1 ZINC000191973111 416292905 /nfs/dbraw/zinc/29/29/05/416292905.db2.gz XZYFPDIDDUBGLH-LLVKDONJSA-N 1 0 319.390 0.896 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248345268 416333428 /nfs/dbraw/zinc/33/34/28/416333428.db2.gz MOXPJTJGWMRDDY-UPJWGTAASA-N 1 0 317.393 0.458 10 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416611383 /nfs/dbraw/zinc/61/13/83/416611383.db2.gz CILXAIDKCXPORS-LSDHHAIUSA-N 1 0 324.469 0.833 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSC[C@@H]1CCO ZINC000538186604 416566004 /nfs/dbraw/zinc/56/60/04/416566004.db2.gz UCWXELYOBINSHW-OCCSQVGLSA-N 1 0 313.467 0.980 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000538918022 416574816 /nfs/dbraw/zinc/57/48/16/416574816.db2.gz PUMFEFDVKVLTIY-GOEBONIOSA-N 1 0 320.393 0.553 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCN2CCOC[C@@H]2C)CC1 ZINC000545150847 416662465 /nfs/dbraw/zinc/66/24/65/416662465.db2.gz YUSSOEUOJMVTPC-HNNXBMFYSA-N 1 0 310.442 0.658 10 0 DCAERO COc1cccc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000441474281 416674262 /nfs/dbraw/zinc/67/42/62/416674262.db2.gz GIRGUMZNAOQDTA-AWEZNQCLSA-N 1 0 322.409 0.605 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1CC(C)(C)O ZINC000369760818 416824286 /nfs/dbraw/zinc/82/42/86/416824286.db2.gz RJGXNRSOJWZMNI-WBMJQRKESA-N 1 0 311.426 0.206 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](C)O1 ZINC000631975868 416844595 /nfs/dbraw/zinc/84/45/95/416844595.db2.gz LRIGLAIBGXEJEE-FDYHWXHSSA-N 1 0 305.444 0.448 10 0 DCAERO Cc1nc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cn1C ZINC000631979965 416845703 /nfs/dbraw/zinc/84/57/03/416845703.db2.gz ZEUGLDMLNSIVRG-NSHDSACASA-N 1 0 300.428 0.785 10 0 DCAERO C=Cn1cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cn1 ZINC000623616756 416854370 /nfs/dbraw/zinc/85/43/70/416854370.db2.gz BYJNQHNMLSAOTJ-INIZCTEOSA-N 1 0 306.410 0.689 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCSCC1 ZINC000519724496 416932964 /nfs/dbraw/zinc/93/29/64/416932964.db2.gz LGNPNRYQDYUAAR-YPMHNXCESA-N 1 0 311.451 0.551 10 0 DCAERO CCn1cc(S(=O)(=O)N(C)CCOCC[NH2+]C)nc1C ZINC000624397071 417028877 /nfs/dbraw/zinc/02/88/77/417028877.db2.gz NYQGXRXXWXTKDD-UHFFFAOYSA-N 1 0 304.416 0.068 10 0 DCAERO c1n[nH]cc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000624212888 416981823 /nfs/dbraw/zinc/98/18/23/416981823.db2.gz BZXZSUGSQFOQEE-UHFFFAOYSA-N 1 0 301.398 0.502 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000568126782 417082010 /nfs/dbraw/zinc/08/20/10/417082010.db2.gz ZOAOQMREFLKBBX-MGPQQGTHSA-N 1 0 309.410 0.367 10 0 DCAERO O=C(N[C@@H]1CCc2ccccc2C1)C(=O)N1CCC[NH2+]CC1 ZINC000385927941 417089773 /nfs/dbraw/zinc/08/97/73/417089773.db2.gz ZQNYMLIUTIAORN-OAHLLOKOSA-N 1 0 301.390 0.482 10 0 DCAERO COc1cc[nH+]c(N2CCN(C(=O)C3CC(C)(O)C3)CC2)c1 ZINC000448914997 417108220 /nfs/dbraw/zinc/10/82/20/417108220.db2.gz YWHSAMZJNFJWRY-UHFFFAOYSA-N 1 0 305.378 0.900 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000405847571 417124968 /nfs/dbraw/zinc/12/49/68/417124968.db2.gz IFKNMGVDOOSDBU-PSASIEDQSA-N 1 0 322.818 0.058 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000408057631 417138568 /nfs/dbraw/zinc/13/85/68/417138568.db2.gz XDGRJLWKDQOGEO-HOCLYGCPSA-N 1 0 311.426 0.303 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)C1 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10 0 DCAERO CCOCC[C@@H](O)C[N@@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451130287 417303933 /nfs/dbraw/zinc/30/39/33/417303933.db2.gz DPNJHIFYRPERKP-CHWSQXEVSA-N 1 0 301.383 0.285 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COCC(C)C)CC12COC2 ZINC000451137510 417305383 /nfs/dbraw/zinc/30/53/83/417305383.db2.gz PCCQCXCKSIHOTM-ZIAGYGMSSA-N 1 0 315.410 0.531 10 0 DCAERO C[N@H+](C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000528777697 417389813 /nfs/dbraw/zinc/38/98/13/417389813.db2.gz BMKNNHWYBDAFDD-MCIONIFRSA-N 1 0 302.440 0.093 10 0 DCAERO CN(CC1CC1)C(=O)CN1CCCC[C@H]1CS(C)(=O)=O ZINC000451649194 417372324 /nfs/dbraw/zinc/37/23/24/417372324.db2.gz AIFYNXWTVYJMNJ-ZDUSSCGKSA-N 1 0 302.440 0.754 10 0 DCAERO CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC12COC2 ZINC000452265250 417464836 /nfs/dbraw/zinc/46/48/36/417464836.db2.gz PYUCOVNJXMTDGT-ZIAGYGMSSA-N 1 0 322.405 0.651 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@]2(O)CCO[C@H]2C)CC1 ZINC000576117893 417582565 /nfs/dbraw/zinc/58/25/65/417582565.db2.gz LHMYCPVSXWFTFD-XJKSGUPXSA-N 1 0 313.442 0.948 10 0 DCAERO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000532362022 417673975 /nfs/dbraw/zinc/67/39/75/417673975.db2.gz KSXLXRJFPDLFDS-KCQAQPDRSA-N 1 0 301.383 0.428 10 0 DCAERO C[C@@H](OCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750786 417887412 /nfs/dbraw/zinc/88/74/12/417887412.db2.gz GXMLAPLWPCGTCQ-LLVKDONJSA-N 1 0 316.361 0.862 10 0 DCAERO c1cc(N2CC([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)ncn1 ZINC000631748261 417932777 /nfs/dbraw/zinc/93/27/77/417932777.db2.gz AOIZKZYWNPSNMR-OAHLLOKOSA-N 1 0 303.410 0.508 10 0 DCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000648137741 418105317 /nfs/dbraw/zinc/10/53/17/418105317.db2.gz HDQBNETWOVAWTE-NXEZZACHSA-N 1 0 317.436 0.365 10 0 DCAERO N#Cc1ccccc1OCC[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299742441 229379635 /nfs/dbraw/zinc/37/96/35/229379635.db2.gz IARXYUAEFOLQGH-OAHLLOKOSA-N 1 0 303.362 0.495 10 0 DCAERO Cc1cc(C)n2c(C[NH2+][C@H]3COC[C@H]3n3ccnn3)cnc2n1 ZINC000299746709 229388513 /nfs/dbraw/zinc/38/85/13/229388513.db2.gz ZHPVKCZHLRXAFV-UONOGXRCSA-N 1 0 313.365 0.667 10 0 DCAERO CN(C(=O)N[C@H]1CCOC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000179159509 261111471 /nfs/dbraw/zinc/11/14/71/261111471.db2.gz XYCFZCMWFYNAQJ-AWEZNQCLSA-N 1 0 321.425 0.778 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000189301106 261131670 /nfs/dbraw/zinc/13/16/70/261131670.db2.gz IXBWJJRZPRZGEQ-QWHCGFSZSA-N 1 0 300.399 0.803 10 0 DCAERO COCCN1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000194186017 261144962 /nfs/dbraw/zinc/14/49/62/261144962.db2.gz GCEDAWAGZGNDFL-OAHLLOKOSA-N 1 0 314.474 0.936 10 0 DCAERO C/C=C\C[C@@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000354225883 261192443 /nfs/dbraw/zinc/19/24/43/261192443.db2.gz BQGMTEBTCSCHFQ-JZIMQPMSSA-N 1 0 318.421 0.890 10 0 DCAERO COC(=O)[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000362355581 262025398 /nfs/dbraw/zinc/02/53/98/262025398.db2.gz 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/nfs/dbraw/zinc/05/13/86/272051386.db2.gz IVZKNPPFXWVAKN-BPLDGKMQSA-N 1 0 323.389 0.916 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)C1(C(=O)NC2CC2)CCC1 ZINC000536015651 287848858 /nfs/dbraw/zinc/84/88/58/287848858.db2.gz CNJRHZUHEFFAOI-UHFFFAOYSA-N 1 0 302.378 0.481 10 0 DCAERO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]([NH3+])C1CC1)C2=O ZINC000236624086 275933619 /nfs/dbraw/zinc/93/36/19/275933619.db2.gz GNAVGXPWCJCIHJ-YZKWQOGNSA-N 1 0 322.409 0.341 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179066176 277019686 /nfs/dbraw/zinc/01/96/86/277019686.db2.gz NNHSWWGMZRVXGC-HZPDHXFCSA-N 1 0 301.390 0.780 10 0 DCAERO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cnsn3)C2)CC1 ZINC000175991026 277110571 /nfs/dbraw/zinc/11/05/71/277110571.db2.gz YVPFXVDPGTUYQD-GFCCVEGCSA-N 1 0 309.439 0.780 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)[C@@H]2C1 ZINC000332842374 277141343 /nfs/dbraw/zinc/14/13/43/277141343.db2.gz OIEMPAHWBISBOO-FRRDWIJNSA-N 1 0 304.398 0.849 10 0 DCAERO Cc1nnc2n1C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000543682834 287962273 /nfs/dbraw/zinc/96/22/73/287962273.db2.gz ZANSHVPALQZXKB-CYBMUJFWSA-N 1 0 308.430 0.742 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218911041 278113322 /nfs/dbraw/zinc/11/33/22/278113322.db2.gz PEISRLAFXYCDPG-XQQFMLRXSA-N 1 0 317.455 0.434 10 0 DCAERO CCc1nncn1CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000547382397 288041744 /nfs/dbraw/zinc/04/17/44/288041744.db2.gz OLQJCLDQXSODEF-UHFFFAOYSA-N 1 0 303.370 0.069 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000118881465 278969112 /nfs/dbraw/zinc/96/91/12/278969112.db2.gz ZXKAFGXUCGQDAI-NSHDSACASA-N 1 0 312.414 0.409 10 0 DCAERO CC(C)[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1cnn(C)c1 ZINC000096070065 279395759 /nfs/dbraw/zinc/39/57/59/279395759.db2.gz DNUKCXKEAXFNIT-KGLIPLIRSA-N 1 0 314.455 0.705 10 0 DCAERO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000548300347 288129837 /nfs/dbraw/zinc/12/98/37/288129837.db2.gz CAUBDQBNQFJPOY-NEPJUHHUSA-N 1 0 309.353 0.635 10 0 DCAERO OCC[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CCOCC1 ZINC000548406535 288140428 /nfs/dbraw/zinc/14/04/28/288140428.db2.gz AVKOVSOBHAZDQR-LSDHHAIUSA-N 1 0 303.399 0.016 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)[C@H](C)CO1 ZINC000173134592 288232680 /nfs/dbraw/zinc/23/26/80/288232680.db2.gz IJQFDBNZSZYRNT-UPJWGTAASA-N 1 0 305.444 0.366 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NCC(F)(F)F ZINC000113269922 288305088 /nfs/dbraw/zinc/30/50/88/288305088.db2.gz JOPJGRUBOMMWJT-NXEZZACHSA-N 1 0 322.331 0.543 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329245458 288309407 /nfs/dbraw/zinc/30/94/07/288309407.db2.gz AFDBGSBOIDJPNS-YJNKXOJESA-N 1 0 323.437 0.707 10 0 DCAERO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000252373398 281837697 /nfs/dbraw/zinc/83/76/97/281837697.db2.gz RBVVMXOWTJGDPJ-RVMXOQNASA-N 1 0 300.424 0.553 10 0 DCAERO 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/nfs/dbraw/zinc/05/48/04/297054804.db2.gz SMPMNTJIGAOEJD-UPJWGTAASA-N 1 0 303.428 0.026 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000333475150 297108871 /nfs/dbraw/zinc/10/88/71/297108871.db2.gz BJLVIYDCNIBEOT-QLFBSQMISA-N 1 0 310.442 0.491 10 0 DCAERO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)N1CCOCC1 ZINC000408445104 298050374 /nfs/dbraw/zinc/05/03/74/298050374.db2.gz XOCRHPVVKCKGFH-UONOGXRCSA-N 1 0 313.442 0.011 10 0 DCAERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408068758 298645080 /nfs/dbraw/zinc/64/50/80/298645080.db2.gz AQJFVDZHGPSLEU-MCIONIFRSA-N 1 0 319.471 0.157 10 0 DCAERO C[C@H](NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)C(=O)N(C)C ZINC000368527786 299056945 /nfs/dbraw/zinc/05/69/45/299056945.db2.gz VLTRTSNNKGYLTR-IHRRRGAJSA-N 1 0 310.442 0.138 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000262698677 300324948 /nfs/dbraw/zinc/32/49/48/300324948.db2.gz AFXIRSHNXQZTNP-NWDGAFQWSA-N 1 0 322.409 0.355 10 0 DCAERO 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FOQGMXKCOQUDBP-HNNXBMFYSA-N 1 0 313.442 0.278 10 0 DCAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)n1 ZINC000275728667 534196912 /nfs/dbraw/zinc/19/69/12/534196912.db2.gz ZQHJXNVXPDWVIT-LLVKDONJSA-N 1 0 315.377 0.743 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(C)c1 ZINC000129429730 519722191 /nfs/dbraw/zinc/72/21/91/519722191.db2.gz AUBWONVWETXNQU-CYBMUJFWSA-N 1 0 307.398 0.595 10 0 DCAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000156729387 519796344 /nfs/dbraw/zinc/79/63/44/519796344.db2.gz NACHCEGLTFBWCK-XQQFMLRXSA-N 1 0 307.460 0.646 10 0 DCAERO CC(C)[C@@H]([NH2+]CCN1CCOC[C@H]1C)C(=O)N1CCOCC1 ZINC000249636133 519799019 /nfs/dbraw/zinc/79/90/19/519799019.db2.gz WPGPPPILGWOVFK-HUUCEWRRSA-N 1 0 313.442 0.180 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246416260 521656513 /nfs/dbraw/zinc/65/65/13/521656513.db2.gz HLOYELASIJRHIK-CHWSQXEVSA-N 1 0 319.471 0.505 10 0 DCAERO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237043002 521674941 /nfs/dbraw/zinc/67/49/41/521674941.db2.gz DDASLGWQEJWZEF-AVGNSLFASA-N 1 0 317.455 0.353 10 0 DCAERO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249101160 522160059 /nfs/dbraw/zinc/16/00/59/522160059.db2.gz CVJNFCUMBAZLDT-ZIAGYGMSSA-N 1 0 311.426 0.472 10 0 DCAERO COC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000126683739 522785685 /nfs/dbraw/zinc/78/56/85/522785685.db2.gz LIUBBBGVZKRFPI-HZPDHXFCSA-N 1 0 324.421 0.051 10 0 DCAERO COC(=O)[C@H](C)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915230 523879540 /nfs/dbraw/zinc/87/95/40/523879540.db2.gz VASPOCIDCYQLPX-LSDHHAIUSA-N 1 0 313.442 0.275 10 0 DCAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163075304 524077433 /nfs/dbraw/zinc/07/74/33/524077433.db2.gz KTBSOKHCVGAFOH-JTQLQIEISA-N 1 0 302.338 0.374 10 0 DCAERO COc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CCC[NH2+]2)cc1O ZINC000262105710 524138371 /nfs/dbraw/zinc/13/83/71/524138371.db2.gz FJYXYZCUKGGALO-CHWSQXEVSA-N 1 0 308.378 0.420 10 0 DCAERO C[C@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)C[NH+]1CCCC1 ZINC000188445884 524459540 /nfs/dbraw/zinc/45/95/40/524459540.db2.gz KZYWQCLWICOALT-LLVKDONJSA-N 1 0 315.377 0.780 10 0 DCAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000156868028 524658581 /nfs/dbraw/zinc/65/85/81/524658581.db2.gz KNSGBBOMEQEKPM-CQSZACIVSA-N 1 0 303.406 0.816 10 0 DCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)Cc1ccccc1 ZINC000105933297 525507300 /nfs/dbraw/zinc/50/73/00/525507300.db2.gz KWENSGNUNWYYLZ-ZBFHGGJFSA-N 1 0 305.422 0.954 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000246581991 527365848 /nfs/dbraw/zinc/36/58/48/527365848.db2.gz VRAKTQPVSCGQTG-ZACQAIPSSA-N 1 0 317.433 0.992 10 0 DCAERO Cn1cnnc1SCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154522871 527528400 /nfs/dbraw/zinc/52/84/00/527528400.db2.gz FZYJFTMEZFWAMW-RYUDHWBXSA-N 1 0 309.439 0.850 10 0 DCAERO Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000189494487 527598449 /nfs/dbraw/zinc/59/84/49/527598449.db2.gz KAQVDKULTDAMKG-LBPRGKRZSA-N 1 0 302.382 0.738 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1CC ZINC000188465223 528734824 /nfs/dbraw/zinc/73/48/24/528734824.db2.gz DYAVXXAEHZQCFZ-OAHLLOKOSA-N 1 0 311.426 0.424 10 0 DCAERO CCOCCNC(=O)CN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000175960327 528764444 /nfs/dbraw/zinc/76/44/44/528764444.db2.gz GYNHYNOJHQQDTA-CQSZACIVSA-N 1 0 301.431 0.182 10 0 DCAERO CCOC(=O)CNC(=O)C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000161971483 528811730 /nfs/dbraw/zinc/81/17/30/528811730.db2.gz ZRHVYIPHYIPOOD-HNNXBMFYSA-N 1 0 300.399 0.539 10 0 DCAERO CC[C@](C)(CCO)NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000154159982 529356717 /nfs/dbraw/zinc/35/67/17/529356717.db2.gz WVZGICRJXGYBCX-UKRRQHHQSA-N 1 0 301.431 0.948 10 0 DCAERO CC(C)[NH2+][C@@H](Cn1cc(I)cn1)C(N)=O ZINC000070678723 545662734 /nfs/dbraw/zinc/66/27/34/545662734.db2.gz OBBHUNFUTWRUTO-QMMMGPOBSA-N 1 0 322.150 0.340 10 0 DCAERO C[C@@]1(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CCC[NH2+]1 ZINC000081134553 545692443 /nfs/dbraw/zinc/69/24/43/545692443.db2.gz HHMCTGFBAMLGSH-NSHDSACASA-N 1 0 303.288 0.781 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449137 545713564 /nfs/dbraw/zinc/71/35/64/545713564.db2.gz PXMIYNAELQDMFG-AAEUAGOBSA-N 1 0 311.407 0.325 10 0 DCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000092951879 545723597 /nfs/dbraw/zinc/72/35/97/545723597.db2.gz JGONNJANSWPSDE-OPQQBVKSSA-N 1 0 311.407 0.509 10 0 DCAERO C[C@@]1(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCC[NH2+]1 ZINC000136165923 545806304 /nfs/dbraw/zinc/80/63/04/545806304.db2.gz NPMIBVRHVFRMDI-YPMHNXCESA-N 1 0 303.428 0.059 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000154816503 545839526 /nfs/dbraw/zinc/83/95/26/545839526.db2.gz JNGGEKPWPLXVJS-NWDGAFQWSA-N 1 0 319.409 0.973 10 0 DCAERO C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000179300909 545897736 /nfs/dbraw/zinc/89/77/36/545897736.db2.gz DYEFKCTURFVQPJ-ZIAGYGMSSA-N 1 0 312.458 0.831 10 0 DCAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-n2cncn2)cc1 ZINC000181874677 545903844 /nfs/dbraw/zinc/90/38/44/545903844.db2.gz VSURFXYJNMKXEF-LLVKDONJSA-N 1 0 309.395 0.597 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(C)C ZINC000183634933 545908390 /nfs/dbraw/zinc/90/83/90/545908390.db2.gz AJZLGBLOVLHPAA-GZBFAFLISA-N 1 0 311.426 0.517 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000246110021 545963237 /nfs/dbraw/zinc/96/32/37/545963237.db2.gz ZRIFFZFVMWZORQ-RBSFLKMASA-N 1 0 318.483 0.779 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC(=O)NCc1cccnc1 ZINC000261733258 545977112 /nfs/dbraw/zinc/97/71/12/545977112.db2.gz LCKRTSHPXDYXJM-ZIAGYGMSSA-N 1 0 304.394 0.579 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cncc(Br)c1 ZINC000262080589 545978227 /nfs/dbraw/zinc/97/82/27/545978227.db2.gz CKGLKELLNHOBLY-WCBMZHEXSA-N 1 0 300.156 0.154 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccco2)[nH]c1=O ZINC000262133099 545979114 /nfs/dbraw/zinc/97/91/14/545979114.db2.gz GPYAQWBBWUUTEH-BXKDBHETSA-N 1 0 303.318 0.357 10 0 DCAERO CN(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000262142501 545979558 /nfs/dbraw/zinc/97/95/58/545979558.db2.gz HHQAOWOJDVRCJX-YUTCNCBUSA-N 1 0 311.813 0.639 10 0 DCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1OC ZINC000262109056 545979735 /nfs/dbraw/zinc/97/97/35/545979735.db2.gz FERNJHCCJXOZEU-ONGXEEELSA-N 1 0 310.350 0.023 10 0 DCAERO O=C(Cc1ccc(Br)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262204167 545980486 /nfs/dbraw/zinc/98/04/86/545980486.db2.gz IITZQNGFENUZCX-PWSUYJOCSA-N 1 0 313.195 0.688 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cn2)n1 ZINC000262246711 545981701 /nfs/dbraw/zinc/98/17/01/545981701.db2.gz LHFCACIAEQJBPA-KGLIPLIRSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cn2)n1 ZINC000262246713 545982125 /nfs/dbraw/zinc/98/21/25/545982125.db2.gz LHFCACIAEQJBPA-UONOGXRCSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)nnn1-c1ccc(C)cc1 ZINC000262296802 545982397 /nfs/dbraw/zinc/98/23/97/545982397.db2.gz PDRUKKGORLSYEA-OCCSQVGLSA-N 1 0 315.377 0.194 10 0 DCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N1CCc2ccccc2C1 ZINC000262334661 545983598 /nfs/dbraw/zinc/98/35/98/545983598.db2.gz SNNUJOKVFHQGBU-UHOFOFEASA-N 1 0 303.406 0.130 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000333287519 546076271 /nfs/dbraw/zinc/07/62/71/546076271.db2.gz NUFWKLPFOGZNAW-MELADBBJSA-N 1 0 305.426 0.623 10 0 DCAERO CN(C(=O)NC[C@H]1SCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333410243 546081146 /nfs/dbraw/zinc/08/11/46/546081146.db2.gz RDUVOHCHRJCWND-SOUVJXGZSA-N 1 0 321.446 0.991 10 0 DCAERO CN1C[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCC1=O ZINC000333685252 546088811 /nfs/dbraw/zinc/08/88/11/546088811.db2.gz ZZAYWRNIDMOTAT-SOUVJXGZSA-N 1 0 316.405 0.662 10 0 DCAERO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000333772554 546091964 /nfs/dbraw/zinc/09/19/64/546091964.db2.gz CFWGKQQIIPGYLW-SQNXGDPESA-N 1 0 322.413 0.725 10 0 DCAERO CCC[C@H](C)C(=O)N1C[C@H]2[C@@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072467 547659168 /nfs/dbraw/zinc/65/91/68/547659168.db2.gz CUVOKBXYSYJCPE-OBJOEFQTSA-N 1 0 302.440 0.787 10 0 DCAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000722313312 660701027 /nfs/dbraw/zinc/70/10/27/660701027.db2.gz XEQCSGRMAFXAQV-CMPLNLGQSA-N 1 0 300.380 0.974 10 0 DCAERO COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400378 661115808 /nfs/dbraw/zinc/11/58/08/661115808.db2.gz GSZGPSSXNDCBCY-VWYCJHECSA-N 1 0 301.305 0.710 10 0 DCAERO COCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400375 661115852 /nfs/dbraw/zinc/11/58/52/661115852.db2.gz GSZGPSSXNDCBCY-GMTAPVOTSA-N 1 0 301.305 0.710 10 0 DCAERO CCc1nnc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)nc1CC ZINC000888094187 661158117 /nfs/dbraw/zinc/15/81/17/661158117.db2.gz DNQJOZGMXDOSTD-KGLIPLIRSA-N 1 0 316.413 0.579 10 0 DCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000237939783 665416359 /nfs/dbraw/zinc/41/63/59/665416359.db2.gz UNZVDUIVAVFRMM-RYUDHWBXSA-N 1 0 311.407 0.209 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1C[C@H](C)O ZINC000246200811 657614931 /nfs/dbraw/zinc/61/49/31/657614931.db2.gz POMDVGUSAYXEAO-QWHCGFSZSA-N 1 0 307.460 0.348 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000725118318 658149307 /nfs/dbraw/zinc/14/93/07/658149307.db2.gz WKPLFMPUVRIGQH-GFCCVEGCSA-N 1 0 304.437 0.710 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000725117824 658149593 /nfs/dbraw/zinc/14/95/93/658149593.db2.gz ZBUIESMJHHIODJ-NSHDSACASA-N 1 0 303.453 0.628 10 0 DCAERO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428320 658312397 /nfs/dbraw/zinc/31/23/97/658312397.db2.gz SYFSJTRJCFRPAM-UONOGXRCSA-N 1 0 302.440 0.959 10 0 DCAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261912181 661820296 /nfs/dbraw/zinc/82/02/96/661820296.db2.gz JEBYAEJUYDFPHF-MCIONIFRSA-N 1 0 318.483 0.946 10 0 DCAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000721806192 662102147 /nfs/dbraw/zinc/10/21/47/662102147.db2.gz ZPKWOBRFZQLWGB-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000900603249 663260117 /nfs/dbraw/zinc/26/01/17/663260117.db2.gz MUINZCSAQIIFEE-FMKPAKJESA-N 1 0 306.410 0.810 10 0 DCAERO [NH2+]=C(NCCCNC(=O)c1cccs1)NC[C@@H]1CCCO1 ZINC000076105612 665976083 /nfs/dbraw/zinc/97/60/83/665976083.db2.gz JIJLUKPDIPORSC-NSHDSACASA-N 1 0 310.423 0.951 10 0 DCAERO CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccnn2CC[NH+](C)C)C1=O ZINC000908098081 663733244 /nfs/dbraw/zinc/73/32/44/663733244.db2.gz UGKLOWYWSWHMKF-TZMCWYRMSA-N 1 0 319.409 0.138 10 0 DCAERO C[NH+](C)C[C@H]1CN(Cn2ncc3ccccc3c2=O)CCO1 ZINC000152984398 664785708 /nfs/dbraw/zinc/78/57/08/664785708.db2.gz GZKSVUZNTZGBTF-AWEZNQCLSA-N 1 0 302.378 0.616 10 0 DCAERO C[NH+](C)CCCCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000733162461 665078097 /nfs/dbraw/zinc/07/80/97/665078097.db2.gz YJOLUYRXJFNRFS-UHFFFAOYSA-N 1 0 317.386 0.545 10 0 DCAERO COCC[N@@H+]1CCN(CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC000154811664 665183373 /nfs/dbraw/zinc/18/33/73/665183373.db2.gz VVAGUQDDMMQNRC-LLVKDONJSA-N 1 0 311.348 0.708 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700902114 666778890 /nfs/dbraw/zinc/77/88/90/666778890.db2.gz NILXMFOORSSWDP-MXWKQRLJSA-N 1 0 306.453 0.021 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700958899 666781995 /nfs/dbraw/zinc/78/19/95/666781995.db2.gz VWTKQLLEDZOXFY-DCAQKATOSA-N 1 0 306.453 0.150 10 0 DCAERO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702844017 667010367 /nfs/dbraw/zinc/01/03/67/667010367.db2.gz HRGXKFQMXNLGRJ-JQWIXIFHSA-N 1 0 311.386 0.133 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1 ZINC000862937721 667096767 /nfs/dbraw/zinc/09/67/67/667096767.db2.gz FNMBCXHXERMEAA-KGLIPLIRSA-N 1 0 315.381 0.014 10 0 DCAERO C[NH2+]CCOCCN(C)C(=O)c1cnn(C)c1Br ZINC000706741827 667422622 /nfs/dbraw/zinc/42/26/22/667422622.db2.gz IFBVSURRFIOTIP-UHFFFAOYSA-N 1 0 319.203 0.491 10 0 DCAERO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000710133324 667445922 /nfs/dbraw/zinc/44/59/22/667445922.db2.gz HTZHVQOIFIMXRT-GOSISDBHSA-N 1 0 311.473 0.798 10 0 DCAERO CC[S@](=O)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000739580705 667707907 /nfs/dbraw/zinc/70/79/07/667707907.db2.gz SYHSRTCGXZTEPG-NRFANRHFSA-N 1 0 316.467 0.906 10 0 DCAERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCn3ccnc32)OCCN1C ZINC000886085609 667730258 /nfs/dbraw/zinc/73/02/58/667730258.db2.gz VPCLVKXOGYFWEH-QEJZJMRPSA-N 1 0 316.409 0.723 10 0 DCAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC2(CO)COC2)C1 ZINC000717575499 667869323 /nfs/dbraw/zinc/86/93/23/667869323.db2.gz SZVAXQHFXZMEMA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/30/42/40/685304240.db2.gz CAIBMYJTRGUWBF-TUUUFIMRSA-N 1 0 304.481 0.731 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000720813408 685315473 /nfs/dbraw/zinc/31/54/73/685315473.db2.gz ZREKAAQNWANLJX-BBBLOLIVSA-N 1 0 316.345 0.564 10 0 DCAERO CO[C@@]1(C[NH2+]C2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000719304458 685309068 /nfs/dbraw/zinc/30/90/68/685309068.db2.gz YSIMBZSMYRVOTI-GFCCVEGCSA-N 1 0 308.469 0.522 10 0 DCAERO Cn1cc(CNC(=O)C23CC[NH+](CC2)C3)c(Br)n1 ZINC000720116187 685312554 /nfs/dbraw/zinc/31/25/54/685312554.db2.gz VWNOZDFESULDFE-UHFFFAOYSA-N 1 0 313.199 0.895 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720866947 685316551 /nfs/dbraw/zinc/31/65/51/685316551.db2.gz UNTAVSCISSKYCC-UBHSHLNASA-N 1 0 302.440 0.958 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246731346 685166344 /nfs/dbraw/zinc/16/63/44/685166344.db2.gz OQRHURPMHUSAQE-MGPQQGTHSA-N 1 0 311.451 0.851 10 0 DCAERO CC(C)CN1C(=O)C(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000247032532 685168962 /nfs/dbraw/zinc/16/89/62/685168962.db2.gz KGWLILRBTLCJMW-OLZOCXBDSA-N 1 0 322.409 0.559 10 0 DCAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1nnnn1C1CC1 ZINC000249396444 685179544 /nfs/dbraw/zinc/17/95/44/685179544.db2.gz GWPWFLTWICCJLE-YPMHNXCESA-N 1 0 319.413 0.949 10 0 DCAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252684540 685187292 /nfs/dbraw/zinc/18/72/92/685187292.db2.gz GMYSURMLHYTAFJ-JHJVBQTASA-N 1 0 307.460 0.694 10 0 DCAERO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H]1CCCCO1 ZINC000381993493 685240112 /nfs/dbraw/zinc/24/01/12/685240112.db2.gz HEHZLPYGBNFNHO-STQMWFEESA-N 1 0 306.428 0.196 10 0 DCAERO COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000381423598 685240124 /nfs/dbraw/zinc/24/01/24/685240124.db2.gz AZJBIUMDWOBLDG-ZJUUUORDSA-N 1 0 300.380 0.628 10 0 DCAERO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000152053019 1158376984 /nfs/dbraw/zinc/37/69/84/1158376984.db2.gz QFGXZUDNPIXMCI-CYBMUJFWSA-N 1 0 317.455 0.306 10 0 DCAERO COCCn1nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1=O ZINC000127845339 1177325986 /nfs/dbraw/zinc/32/59/86/1177325986.db2.gz BIZCFTBUPCTNEI-QWHCGFSZSA-N 1 0 322.409 0.444 10 0 DCAERO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC1C[NH2+]C1 ZINC000261956709 1185160789 /nfs/dbraw/zinc/16/07/89/1185160789.db2.gz QYNVYZFTVPOZFX-AWEZNQCLSA-N 1 0 307.369 0.916 10 0 DCAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)CCS1(=O)=O ZINC000394249141 1190701912 /nfs/dbraw/zinc/70/19/12/1190701912.db2.gz ZVPJERVNRKFYQH-JHJVBQTASA-N 1 0 303.424 0.880 10 0 DCAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)NC1CC1 ZINC000585226927 947836412 /nfs/dbraw/zinc/83/64/12/947836412.db2.gz RUOGLKRCRQAVLT-UHFFFAOYSA-N 1 0 309.410 0.272 10 0 DCAERO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000171906851 282113279 /nfs/dbraw/zinc/11/32/79/282113279.db2.gz DQDLASWJNLWECL-QWHCGFSZSA-N 1 0 304.398 0.391 10 0 DCAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)CCO1 ZINC000107305462 282140232 /nfs/dbraw/zinc/14/02/32/282140232.db2.gz IRFDCUVKMNTRKW-NSHDSACASA-N 1 0 324.450 0.833 10 0 DCAERO C[N@H+](CCO)C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000302072399 529920667 /nfs/dbraw/zinc/92/06/67/529920667.db2.gz WFYUMHRFOVYJSI-UHFFFAOYSA-N 1 0 302.382 0.555 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000084061075 192397660 /nfs/dbraw/zinc/39/76/60/192397660.db2.gz ZCGKQIJMHSZFEE-ZYHUDNBSSA-N 1 0 311.407 0.605 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000171084794 197877323 /nfs/dbraw/zinc/87/73/23/197877323.db2.gz WPDXXZAZUMQDBH-LLVKDONJSA-N 1 0 319.344 0.969 10 0 DCAERO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171471398 186165200 /nfs/dbraw/zinc/16/52/00/186165200.db2.gz KJAXRGFNUCNEDD-GFCCVEGCSA-N 1 0 315.377 0.180 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000171983552 198020565 /nfs/dbraw/zinc/02/05/65/198020565.db2.gz 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/nfs/dbraw/zinc/00/03/03/200000303.db2.gz FSHVYDUFDAYADT-ZYHUDNBSSA-N 1 0 322.434 0.927 10 0 DCAERO CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170859396 237129999 /nfs/dbraw/zinc/12/99/99/237129999.db2.gz BZDZHOYAJSJIHX-CYBMUJFWSA-N 1 0 317.455 0.211 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000186861144 200023800 /nfs/dbraw/zinc/02/38/00/200023800.db2.gz MYTZCTQKCKJORV-VXGBXAGGSA-N 1 0 322.409 0.355 10 0 DCAERO Cc1cccn2c(=O)c(C(=O)N3CC[C@@H]([NH+](C)C)C3)cnc12 ZINC000180029052 237253728 /nfs/dbraw/zinc/25/37/28/237253728.db2.gz XCUJYGPFCPGGMJ-GFCCVEGCSA-N 1 0 300.362 0.779 10 0 DCAERO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000178589692 237230482 /nfs/dbraw/zinc/23/04/82/237230482.db2.gz ZVMWTGZDMZKGRR-KBPBESRZSA-N 1 0 320.455 0.322 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)NCCNC(=O)C2CC2)CC1 ZINC000178632100 237236159 /nfs/dbraw/zinc/23/61/59/237236159.db2.gz MTDVJVLKAWTHRU-UHFFFAOYSA-N 1 0 310.442 0.932 10 0 DCAERO 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AWTHGOFCBSKVJC-OAHLLOKOSA-N 1 0 302.374 0.945 10 0 DCAERO Cc1cc(NCC(=O)N2CC[NH2+]CC2)ncc1Br ZINC000166142172 291248625 /nfs/dbraw/zinc/24/86/25/291248625.db2.gz BEZOHXJHEPZLHI-UHFFFAOYSA-N 1 0 313.199 0.996 10 0 DCAERO C[C@@H](C[S@](C)=O)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000168946109 291249375 /nfs/dbraw/zinc/24/93/75/291249375.db2.gz WDZOJYHOTKIISO-VVSNUNSYSA-N 1 0 307.419 0.921 10 0 DCAERO CC(=O)N[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C(C)C ZINC000566213197 291283257 /nfs/dbraw/zinc/28/32/57/291283257.db2.gz XKSKQZZMCDECFA-UYSNPLJNSA-N 1 0 324.469 0.480 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000566712445 291319480 /nfs/dbraw/zinc/31/94/80/291319480.db2.gz FNGPZSPKOZRKNB-HUUCEWRRSA-N 1 0 309.410 0.178 10 0 DCAERO CCOC1CC([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275490570 212367732 /nfs/dbraw/zinc/36/77/32/212367732.db2.gz IZCCRUBZFMEUDM-HSBZDZAISA-N 1 0 306.410 0.906 10 0 DCAERO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091366890 193048221 /nfs/dbraw/zinc/04/82/21/193048221.db2.gz QSONJSQZCGHFRY-GWCFXTLKSA-N 1 0 316.448 0.853 10 0 DCAERO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091409243 193051969 /nfs/dbraw/zinc/05/19/69/193051969.db2.gz TXHQALGOUAKWQR-ZYHUDNBSSA-N 1 0 302.396 0.382 10 0 DCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000091667041 193087603 /nfs/dbraw/zinc/08/76/03/193087603.db2.gz UPWLBXDMSDKDRN-DGCLKSJQSA-N 1 0 313.423 0.315 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000567680875 291369218 /nfs/dbraw/zinc/36/92/18/291369218.db2.gz GYPCCCSKQGGROW-SWLSCSKDSA-N 1 0 318.377 0.899 10 0 DCAERO O=C([C@H]1CCCC12OCCO2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367388658 296101366 /nfs/dbraw/zinc/10/13/66/296101366.db2.gz QNXGUQIPJXMVFI-LSDHHAIUSA-N 1 0 324.421 0.710 10 0 DCAERO CSc1ccccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000092231796 193177170 /nfs/dbraw/zinc/17/71/70/193177170.db2.gz XBZXWVQGDXFWMT-UHFFFAOYSA-N 1 0 307.419 0.912 10 0 DCAERO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247412911 284119844 /nfs/dbraw/zinc/11/98/44/284119844.db2.gz SYPRIRBICZNYMM-OLZOCXBDSA-N 1 0 304.398 0.473 10 0 DCAERO C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000251558590 296137901 /nfs/dbraw/zinc/13/79/01/296137901.db2.gz COPHCFHUZISYMJ-LPWJVIDDSA-N 1 0 305.444 0.318 10 0 DCAERO O=C(N[C@H]1CCCn2ncnc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245886352 284191056 /nfs/dbraw/zinc/19/10/56/284191056.db2.gz LWMSMZUOYBFPIJ-STQMWFEESA-N 1 0 304.398 0.993 10 0 DCAERO CNC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000264908218 204260456 /nfs/dbraw/zinc/26/04/56/204260456.db2.gz DQYGRPDXIDMWDJ-AAEUAGOBSA-N 1 0 302.378 0.750 10 0 DCAERO O=C(Nc1ccc(-n2nccn2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188391193 284297105 /nfs/dbraw/zinc/29/71/05/284297105.db2.gz PUTPLZDLKQWJEN-UHFFFAOYSA-N 1 0 309.333 0.888 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000020014704 182178380 /nfs/dbraw/zinc/17/83/80/182178380.db2.gz SOFKGNCWSIQRDD-SSDOTTSWSA-N 1 0 310.297 0.804 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cccs2)CC1 ZINC000037893428 182934384 /nfs/dbraw/zinc/93/43/84/182934384.db2.gz LYAARAQPAUDBGT-NSHDSACASA-N 1 0 304.437 0.795 10 0 DCAERO CC[NH+](CC)CCNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000134606512 284632146 /nfs/dbraw/zinc/63/21/46/284632146.db2.gz UXRONGFSSSAVNR-GFCCVEGCSA-N 1 0 324.429 0.900 10 0 DCAERO CCCC(=O)NCC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000105318432 194097155 /nfs/dbraw/zinc/09/71/55/194097155.db2.gz IKZSMROORVMRQC-AWEZNQCLSA-N 1 0 312.458 0.291 10 0 DCAERO CC[C@@H]1CN(Cc2nc(CCOC)no2)CC[N@@H+]1CCOC ZINC000105837418 194144306 /nfs/dbraw/zinc/14/43/06/194144306.db2.gz YKAWUDLPSNOTPU-CYBMUJFWSA-N 1 0 312.414 0.801 10 0 DCAERO CN(Cc1ccccc1)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105926915 194172688 /nfs/dbraw/zinc/17/26/88/194172688.db2.gz VHNCAIYRFRSBFN-INIZCTEOSA-N 1 0 305.422 0.907 10 0 DCAERO CC[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[N@@H+]1CCOC 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/nfs/dbraw/zinc/72/65/75/395726575.db2.gz BJSUAEJTSZVERC-LLVKDONJSA-N 1 0 313.375 0.743 10 0 DCAERO C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000040312334 395733239 /nfs/dbraw/zinc/73/32/39/395733239.db2.gz NWZITVVFNDIZBU-HNNXBMFYSA-N 1 0 303.406 0.755 10 0 DCAERO C[C@H](C(=O)N(C)C)S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000194033049 395786103 /nfs/dbraw/zinc/78/61/03/395786103.db2.gz NNTIUZAJDOEGRR-PNESKVBLSA-N 1 0 319.471 0.503 10 0 DCAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000101563274 395764972 /nfs/dbraw/zinc/76/49/72/395764972.db2.gz PTEWAWGARBMXBV-GFCCVEGCSA-N 1 0 310.398 0.309 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N1CCC(n2cncn2)CC1 ZINC000101793584 395767360 /nfs/dbraw/zinc/76/73/60/395767360.db2.gz ZZOQNNBBSZHOPR-UHFFFAOYSA-N 1 0 324.429 0.593 10 0 DCAERO CC(C)N(CC(N)=O)C(=O)c1ccccc1OCC[NH+](C)C ZINC000103427215 395773106 /nfs/dbraw/zinc/77/31/06/395773106.db2.gz BCEMBEVNCFBIHE-UHFFFAOYSA-N 1 0 307.394 0.963 10 0 DCAERO 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/nfs/dbraw/zinc/84/56/03/395845603.db2.gz CSTYGHRGMPKICZ-AWEZNQCLSA-N 1 0 317.389 0.974 10 0 DCAERO Cc1nn(C)c(Cl)c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116795926 395846269 /nfs/dbraw/zinc/84/62/69/395846269.db2.gz BJLZBPVCTOBTCH-SNVBAGLBSA-N 1 0 300.790 0.785 10 0 DCAERO Cc1cc(C)nc(SCC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000116792404 395846283 /nfs/dbraw/zinc/84/62/83/395846283.db2.gz NBAFFLAAPKRPCP-CYBMUJFWSA-N 1 0 324.450 0.975 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)s1 ZINC000051172606 395848231 /nfs/dbraw/zinc/84/82/31/395848231.db2.gz ZDVQIRHKDRLZLF-UHFFFAOYSA-N 1 0 301.799 0.905 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000194354434 395794787 /nfs/dbraw/zinc/79/47/87/395794787.db2.gz GYKFEDHMTXDWOK-UHFFFAOYSA-N 1 0 322.413 0.627 10 0 DCAERO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)N1CCOCC1 ZINC000109820738 395798730 /nfs/dbraw/zinc/79/87/30/395798730.db2.gz OSRGPNYGRMAYFN-HNNXBMFYSA-N 1 0 311.426 0.032 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C 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O=C(Cn1ncc(=O)c2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553246 395945713 /nfs/dbraw/zinc/94/57/13/395945713.db2.gz BGNLOAPWWNNPFM-GFCCVEGCSA-N 1 0 312.373 0.749 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000246405532 395948835 /nfs/dbraw/zinc/94/88/35/395948835.db2.gz QCTDNENMSFCNHO-CHWSQXEVSA-N 1 0 319.471 0.935 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246554319 395952810 /nfs/dbraw/zinc/95/28/10/395952810.db2.gz YNUZUJYKVIPKPQ-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246815410 395958793 /nfs/dbraw/zinc/95/87/93/395958793.db2.gz BZFVQFZKFFMWNX-REWJHTLYSA-N 1 0 319.471 0.659 10 0 DCAERO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000246892945 395960506 /nfs/dbraw/zinc/96/05/06/395960506.db2.gz NDERJNFUIYDWEF-RRFJBIMHSA-N 1 0 323.437 0.424 10 0 DCAERO C[C@@H](CO)[C@@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247178396 395968650 /nfs/dbraw/zinc/96/86/50/395968650.db2.gz LPAQHMFQDQSFPT-REWJHTLYSA-N 1 0 301.431 0.802 10 0 DCAERO COCCN1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1C ZINC000247200905 395968699 /nfs/dbraw/zinc/96/86/99/395968699.db2.gz OZPXWHXXHRMXNA-HRCADAONSA-N 1 0 316.442 0.195 10 0 DCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247215207 395970059 /nfs/dbraw/zinc/97/00/59/395970059.db2.gz VQPWEHPLQBLBGS-GDBMZVCRSA-N 1 0 322.453 0.587 10 0 DCAERO CCOCC[N@@H+]1CCN(C[C@@H](O)CN2CCCC2=O)C[C@H]1C ZINC000247376933 395972382 /nfs/dbraw/zinc/97/23/82/395972382.db2.gz FXIFHXMNMQGERP-HUUCEWRRSA-N 1 0 313.442 0.012 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000247560219 395976417 /nfs/dbraw/zinc/97/64/17/395976417.db2.gz ZYUGBCSHPLEXQT-NUEKZKHPSA-N 1 0 322.453 0.282 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)cnc4ccccc43)C[C@H]12 ZINC000248646854 395992740 /nfs/dbraw/zinc/99/27/40/395992740.db2.gz SSJBSWMBVDRNRV-RWMBFGLXSA-N 1 0 312.373 0.592 10 0 DCAERO C[C@@H]1CC[C@@H](C[NH+]2CCN(c3cncc4ncnn43)CC2)O1 ZINC000276416996 395994483 /nfs/dbraw/zinc/99/44/83/395994483.db2.gz NCRVTWKHEMUUHC-OLZOCXBDSA-N 1 0 302.382 0.814 10 0 DCAERO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@H]1CCC[NH2+]1 ZINC000153299194 396023155 /nfs/dbraw/zinc/02/31/55/396023155.db2.gz OFFSUPRWTCRXIK-GFCCVEGCSA-N 1 0 323.418 0.626 10 0 DCAERO Ic1cnc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000253180585 396025378 /nfs/dbraw/zinc/02/53/78/396025378.db2.gz SXDIHIKDDPOIDY-JIGDXULJSA-N 1 0 302.119 0.711 10 0 DCAERO Nc1nc2c(nnn2Cc2ccccc2)c(N2CC[NH2+]CC2)n1 ZINC000253568677 396031456 /nfs/dbraw/zinc/03/14/56/396031456.db2.gz LNHGMTWKYNQMTQ-UHFFFAOYSA-N 1 0 310.365 0.261 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1ncc2ccccc2c1=O ZINC000155060144 396046447 /nfs/dbraw/zinc/04/64/47/396046447.db2.gz CZEVMTDZNUUBDP-CHWSQXEVSA-N 1 0 314.389 0.948 10 0 DCAERO [NH3+][C@@H](C(=O)NC[C@H]1COc2ccccc2O1)C1CCOCC1 ZINC000261607621 396048792 /nfs/dbraw/zinc/04/87/92/396048792.db2.gz 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/nfs/dbraw/zinc/00/38/52/396003852.db2.gz FKPOSECGYSGQJN-STQMWFEESA-N 1 0 305.382 0.444 10 0 DCAERO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249832613 396012677 /nfs/dbraw/zinc/01/26/77/396012677.db2.gz PLWSSKXXSOSNIJ-KBPBESRZSA-N 1 0 317.389 0.935 10 0 DCAERO CN1c2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)ccc2OCC1=O ZINC000261833954 396071016 /nfs/dbraw/zinc/07/10/16/396071016.db2.gz QFIPEAHAMNCSTR-HNNXBMFYSA-N 1 0 319.361 0.734 10 0 DCAERO [NH3+]CC1(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CCOCC1 ZINC000261975725 396085878 /nfs/dbraw/zinc/08/58/78/396085878.db2.gz RAVXKYXGBYCTFA-UHFFFAOYSA-N 1 0 324.402 0.710 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000261980183 396086879 /nfs/dbraw/zinc/08/68/79/396086879.db2.gz BYIWUPSZRQDAGX-KBPBESRZSA-N 1 0 323.441 0.723 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000261989473 396087241 /nfs/dbraw/zinc/08/72/41/396087241.db2.gz MRRFIYRXTFKIFM-NXEZZACHSA-N 1 0 323.315 0.020 10 0 DCAERO COC(=O)c1cn([C@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984071 396087350 /nfs/dbraw/zinc/08/73/50/396087350.db2.gz JMMIQLFHQPPHFL-SWLSCSKDSA-N 1 0 307.398 0.701 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](O)C2CCCCC2)cn1 ZINC000262037198 396092362 /nfs/dbraw/zinc/09/23/62/396092362.db2.gz YBEPQHQRTAZRIL-OWCLPIDISA-N 1 0 320.437 0.781 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277889252 396093196 /nfs/dbraw/zinc/09/31/96/396093196.db2.gz QJVSXSMAIYGTKY-GFCCVEGCSA-N 1 0 305.378 0.640 10 0 DCAERO [NH3+][C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C1CCOCC1 ZINC000262080529 396097476 /nfs/dbraw/zinc/09/74/76/396097476.db2.gz TVPMGTLDPJSWGE-OAHLLOKOSA-N 1 0 320.393 0.611 10 0 DCAERO CCOc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170859615 396099883 /nfs/dbraw/zinc/09/98/83/396099883.db2.gz FMIHWKDXIKDKME-AWEZNQCLSA-N 1 0 319.405 0.978 10 0 DCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000071330526 396112606 /nfs/dbraw/zinc/11/26/06/396112606.db2.gz FQKMMAMGSHBDNP-FRRDWIJNSA-N 1 0 305.444 0.414 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310390 396112924 /nfs/dbraw/zinc/11/29/24/396112924.db2.gz YQRSENWINAFQMP-JTQLQIEISA-N 1 0 316.379 0.665 10 0 DCAERO CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171623533 396120748 /nfs/dbraw/zinc/12/07/48/396120748.db2.gz XCEXCRJWIWIRNQ-GFCCVEGCSA-N 1 0 320.397 0.223 10 0 DCAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000171883622 396127916 /nfs/dbraw/zinc/12/79/16/396127916.db2.gz DJQFHFOQOFEGMX-KBPBESRZSA-N 1 0 311.426 0.303 10 0 DCAERO CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000262342817 396128036 /nfs/dbraw/zinc/12/80/36/396128036.db2.gz HFFQSVZGJBSYAB-AVGNSLFASA-N 1 0 302.440 0.800 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1cc(=O)[nH]c2ccccc12 ZINC000262354401 396129550 /nfs/dbraw/zinc/12/95/50/396129550.db2.gz GQOMLZDEIPYWQD-LBPRGKRZSA-N 1 0 301.346 0.935 10 0 DCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262392541 396135114 /nfs/dbraw/zinc/13/51/14/396135114.db2.gz BKPKTTIKHBTGEF-DSZLRUIBSA-N 1 0 312.410 0.786 10 0 DCAERO [NH3+][C@@H](C(=O)NC[C@H]1CCCN1c1cccnn1)C1CCOCC1 ZINC000261868463 396073911 /nfs/dbraw/zinc/07/39/11/396073911.db2.gz STYAQBQLTYAISX-UKRRQHHQSA-N 1 0 319.409 0.316 10 0 DCAERO COCCN(CC(C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261884105 396075757 /nfs/dbraw/zinc/07/57/57/396075757.db2.gz FSLCPRIOTINVHX-CABCVRRESA-N 1 0 308.426 0.854 10 0 DCAERO Cc1cc(C)cc(-n2ncc(CNC[C@@H]3C[NH2+]C[C@@H]3O)n2)c1 ZINC000263221699 396206937 /nfs/dbraw/zinc/20/69/37/396206937.db2.gz LZHNDVROOQSTEJ-CJNGLKHVSA-N 1 0 301.394 0.554 10 0 DCAERO COc1ncc(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175999917 396147895 /nfs/dbraw/zinc/14/78/95/396147895.db2.gz WRHPGZWZTGCLSS-LLVKDONJSA-N 1 0 306.366 0.500 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176206113 396151750 /nfs/dbraw/zinc/15/17/50/396151750.db2.gz UXHMBLZUJRMVRN-ZDUSSCGKSA-N 1 0 309.410 0.955 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270661 396210032 /nfs/dbraw/zinc/21/00/32/396210032.db2.gz SDGMUVDVCPHOGP-ZBFHGGJFSA-N 1 0 304.369 0.740 10 0 DCAERO Cc1nn(C)cc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176444254 396155420 /nfs/dbraw/zinc/15/54/20/396155420.db2.gz MNZIHEQPEMLYAQ-LBPRGKRZSA-N 1 0 308.426 0.893 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176635612 396158070 /nfs/dbraw/zinc/15/80/70/396158070.db2.gz STEDORGQEXYIRA-FRRDWIJNSA-N 1 0 317.455 0.244 10 0 DCAERO NC(=O)c1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000176638761 396158388 /nfs/dbraw/zinc/15/83/88/396158388.db2.gz NWBZTDCMJGQXEL-NSHDSACASA-N 1 0 324.381 0.025 10 0 DCAERO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C1C[NH2+]C1 ZINC000262595536 396159487 /nfs/dbraw/zinc/15/94/87/396159487.db2.gz WZHGDVWOOOZPFD-WFASDCNBSA-N 1 0 301.390 0.759 10 0 DCAERO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccccn1 ZINC000176855655 396161735 /nfs/dbraw/zinc/16/17/35/396161735.db2.gz DKHMVFIYJTVHNH-CYBMUJFWSA-N 1 0 322.409 0.284 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000262619654 396162497 /nfs/dbraw/zinc/16/24/97/396162497.db2.gz HPTRYZIYXIWOBK-TVQRCGJNSA-N 1 0 304.354 0.983 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(S(C)(=O)=O)c2)n1 ZINC000263263067 396210572 /nfs/dbraw/zinc/21/05/72/396210572.db2.gz RFDGTOBVLOHUEU-GFCCVEGCSA-N 1 0 322.390 0.716 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H]1CC ZINC000263279521 396211293 /nfs/dbraw/zinc/21/12/93/396211293.db2.gz UCQWMHLIRLPFPV-STQMWFEESA-N 1 0 319.396 0.943 10 0 DCAERO C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177801480 396183851 /nfs/dbraw/zinc/18/38/51/396183851.db2.gz WPVGAQPJKXCSEW-NEPJUHHUSA-N 1 0 307.394 0.820 10 0 DCAERO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCCN2c2cccnn2)co1 ZINC000262807206 396183990 /nfs/dbraw/zinc/18/39/90/396183990.db2.gz TUYCGBZGIPUEHT-LBPRGKRZSA-N 1 0 301.350 0.927 10 0 DCAERO Cc1nccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)n1 ZINC000262837984 396186096 /nfs/dbraw/zinc/18/60/96/396186096.db2.gz SUAHTXRGEHRLHQ-ZDUSSCGKSA-N 1 0 300.366 0.836 10 0 DCAERO C(CN1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000075968720 396191104 /nfs/dbraw/zinc/19/11/04/396191104.db2.gz GKWQUGUWKJBOQF-KRWDZBQOSA-N 1 0 311.470 0.895 10 0 DCAERO Cn1c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc(=O)n(C)c1=O ZINC000178505107 396197389 /nfs/dbraw/zinc/19/73/89/396197389.db2.gz OVVBDVJFYOMUNU-LLVKDONJSA-N 1 0 323.393 0.248 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000263041727 396199329 /nfs/dbraw/zinc/19/93/29/396199329.db2.gz DTJKENGTYUBAMR-IAQYHMDHSA-N 1 0 314.389 0.590 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263066521 396200115 /nfs/dbraw/zinc/20/01/15/396200115.db2.gz WAHZDDVDGJLHTP-YOEHRIQHSA-N 1 0 324.469 0.517 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(c2ccc(C(=O)N(C)C)cn2)CC1 ZINC000078523959 396246637 /nfs/dbraw/zinc/24/66/37/396246637.db2.gz IYSVIGZOAAMSKS-CQSZACIVSA-N 1 0 306.410 0.676 10 0 DCAERO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000264033917 396250672 /nfs/dbraw/zinc/25/06/72/396250672.db2.gz SZQNKRYBFBWJPD-SNVBAGLBSA-N 1 0 315.395 0.306 10 0 DCAERO CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCC[NH3+])c1 ZINC000183114505 396261275 /nfs/dbraw/zinc/26/12/75/396261275.db2.gz LXOJAVTZNLMSCL-UHFFFAOYSA-N 1 0 304.343 0.630 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183783296 396274643 /nfs/dbraw/zinc/27/46/43/396274643.db2.gz JSETXOPOVZTJBS-ZIAGYGMSSA-N 1 0 308.426 0.781 10 0 DCAERO O=C(CNC(=O)N1CC[NH+](C2CCCC2)CC1)NCC1CC1 ZINC000183791936 396275576 /nfs/dbraw/zinc/27/55/76/396275576.db2.gz YGSIPAGPTMATRH-UHFFFAOYSA-N 1 0 308.426 0.782 10 0 DCAERO CN(C)c1ccncc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000183983547 396279943 /nfs/dbraw/zinc/27/99/43/396279943.db2.gz YGNFCXNNKXECRC-CYBMUJFWSA-N 1 0 306.410 0.724 10 0 DCAERO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000179677272 396229037 /nfs/dbraw/zinc/22/90/37/396229037.db2.gz GRFLPURZSDHGRO-ZDUSSCGKSA-N 1 0 301.456 0.581 10 0 DCAERO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180117975 396230632 /nfs/dbraw/zinc/23/06/32/396230632.db2.gz XGBGYCBXTRSUCY-FZMZJTMJSA-N 1 0 316.423 0.772 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNC(=O)OCC(F)(F)F)C[C@H]12 ZINC000184944761 396311893 /nfs/dbraw/zinc/31/18/93/396311893.db2.gz POZXSMBYBDRTPJ-LPEHRKFASA-N 1 0 323.315 0.861 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184227681 396288345 /nfs/dbraw/zinc/28/83/45/396288345.db2.gz AAMUMYMAYDEUKV-LBPRGKRZSA-N 1 0 309.414 0.775 10 0 DCAERO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)C(N)=O ZINC000081625584 396305723 /nfs/dbraw/zinc/30/57/23/396305723.db2.gz MXQBWXZFGFNHJJ-MBNYWOFBSA-N 1 0 311.426 0.646 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCOCC2CC2)C[C@H]1C ZINC000185263037 396324085 /nfs/dbraw/zinc/32/40/85/396324085.db2.gz PLGPVFFWIMYERN-ZIAGYGMSSA-N 1 0 313.442 0.900 10 0 DCAERO O[C@@H](CN1CCOCC1)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185464510 396328426 /nfs/dbraw/zinc/32/84/26/396328426.db2.gz DZFJJTIGYMZLOX-QGZVFWFLSA-N 1 0 320.433 0.663 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000186152143 396342716 /nfs/dbraw/zinc/34/27/16/396342716.db2.gz USXWKPDHBDQYEU-CYBMUJFWSA-N 1 0 310.398 0.359 10 0 DCAERO CNC(=O)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000187023365 396361749 /nfs/dbraw/zinc/36/17/49/396361749.db2.gz LMQKIMQDJOPAQV-CQSZACIVSA-N 1 0 318.421 0.449 10 0 DCAERO C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000186483256 396350755 /nfs/dbraw/zinc/35/07/55/396350755.db2.gz XXQQWONQQLHVEH-ABAIWWIYSA-N 1 0 318.377 0.346 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000188654244 396384346 /nfs/dbraw/zinc/38/43/46/396384346.db2.gz JWPWMMFUVFVCMZ-UHFFFAOYSA-N 1 0 322.409 0.404 10 0 DCAERO 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396670463 /nfs/dbraw/zinc/67/04/63/396670463.db2.gz AFUIXFHKRUPCGU-KRWDZBQOSA-N 1 0 317.389 0.564 10 0 DCAERO C[C@@H]([N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)O ZINC000295216909 396685993 /nfs/dbraw/zinc/68/59/93/396685993.db2.gz VHHOYPQAWZNJKF-NEPJUHHUSA-N 1 0 320.389 0.735 10 0 DCAERO Cc1nccc(CN2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000375634302 396786862 /nfs/dbraw/zinc/78/68/62/396786862.db2.gz HQUVVZUWMFGCFB-UHFFFAOYSA-N 1 0 317.437 0.915 10 0 DCAERO CN(C(=O)Cn1cnc(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745221 396759338 /nfs/dbraw/zinc/75/93/38/396759338.db2.gz XIKJQYAHOAMROI-CQSZACIVSA-N 1 0 314.393 0.593 10 0 DCAERO Cc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)nn1C ZINC000328654390 396830449 /nfs/dbraw/zinc/83/04/49/396830449.db2.gz XIYODDOIEVUHIS-AWEZNQCLSA-N 1 0 306.410 0.911 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2COCCN2C)c1 ZINC000629599594 396804016 /nfs/dbraw/zinc/80/40/16/396804016.db2.gz JVVNOWBUMPMSJQ-CVEARBPZSA-N 1 0 322.405 0.549 10 0 DCAERO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755653 396909140 /nfs/dbraw/zinc/90/91/40/396909140.db2.gz DSXAKFMOQBRAEM-UHXUPSOCSA-N 1 0 300.424 0.410 10 0 DCAERO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000571824779 396991382 /nfs/dbraw/zinc/99/13/82/396991382.db2.gz UGYWDNNKQMNNHX-FQKPHLNHSA-N 1 0 312.410 0.129 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])c1 ZINC000630363436 396994834 /nfs/dbraw/zinc/99/48/34/396994834.db2.gz NAOGHYGVOLIPQA-ZYHUDNBSSA-N 1 0 302.400 0.030 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)Cc2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630368220 396998514 /nfs/dbraw/zinc/99/85/14/396998514.db2.gz QZPHXPBNBWGDNO-NWDGAFQWSA-N 1 0 303.384 0.251 10 0 DCAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1C[C@@H](O)C1 ZINC000626043037 397059223 /nfs/dbraw/zinc/05/92/23/397059223.db2.gz DWIFDFUSMPXUOW-XQQFMLRXSA-N 1 0 318.373 0.346 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000379940704 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CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000368323638 397418713 /nfs/dbraw/zinc/41/87/13/397418713.db2.gz IEMBAGJZBLVYMT-CABCVRRESA-N 1 0 310.442 0.444 10 0 DCAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000593876102 397465152 /nfs/dbraw/zinc/46/51/52/397465152.db2.gz VBNKSQSPUAMGAO-IJLUTSLNSA-N 1 0 310.398 0.354 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cncc3nncn32)CC1 ZINC000370611791 397509017 /nfs/dbraw/zinc/50/90/17/397509017.db2.gz DMTUJPBSUBMIMT-AWEZNQCLSA-N 1 0 315.425 0.731 10 0 DCAERO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(-c2ccncc2)n1 ZINC000599948337 397550645 /nfs/dbraw/zinc/55/06/45/397550645.db2.gz AZOVQYJBFIZEQM-OAHLLOKOSA-N 1 0 312.421 0.927 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000603509464 397614538 /nfs/dbraw/zinc/61/45/38/397614538.db2.gz FYYWNNSXHUIIAC-GJZGRUSLSA-N 1 0 324.425 0.084 10 0 DCAERO O=C(Nc1ccc2nccn2c1)N1CCCS(=O)(=O)CC1 ZINC000606582504 397684084 /nfs/dbraw/zinc/68/40/84/397684084.db2.gz ROSNFORHSZSBRF-UHFFFAOYSA-N 1 0 308.363 0.987 10 0 DCAERO COC(=O)c1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000608878308 397758157 /nfs/dbraw/zinc/75/81/57/397758157.db2.gz CHYKLXRIUZJNSW-UHFFFAOYSA-N 1 0 317.349 0.879 10 0 DCAERO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@H](C)CO)C1 ZINC000610369884 397816890 /nfs/dbraw/zinc/81/68/90/397816890.db2.gz MOIHOPNBXYWXPN-STQMWFEESA-N 1 0 300.399 0.348 10 0 DCAERO COc1cc(N2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)ncn1 ZINC000096160187 286229954 /nfs/dbraw/zinc/22/99/54/286229954.db2.gz NOELUWUBYDORSX-CZUORRHYSA-N 1 0 322.409 0.801 10 0 DCAERO COc1ccc(C)cc1N1C(=O)C[C@H](N2CC[NH2+]CC2)C1=O ZINC000032500281 286293272 /nfs/dbraw/zinc/29/32/72/286293272.db2.gz GJNWYQONXJNOGS-ZDUSSCGKSA-N 1 0 303.362 0.541 10 0 DCAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C3CC3)C(=O)C2)C1(C)C ZINC000261720671 286502119 /nfs/dbraw/zinc/50/21/19/286502119.db2.gz FBEKKJQYFXIWKI-BLLLJJGKSA-N 1 0 309.410 0.352 10 0 DCAERO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261771115 286622959 /nfs/dbraw/zinc/62/29/59/286622959.db2.gz OHPCFMNJJOCCMH-XQHKEYJVSA-N 1 0 317.455 0.196 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000182637540 286625984 /nfs/dbraw/zinc/62/59/84/286625984.db2.gz RKHNAJDQRZVIBV-CHWSQXEVSA-N 1 0 318.439 0.181 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000060079782 158027178 /nfs/dbraw/zinc/02/71/78/158027178.db2.gz IYYCPKLDPQRSJL-SNVBAGLBSA-N 1 0 318.830 0.932 10 0 DCAERO O=C(CSc1nnnn1C1CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604762 158028362 /nfs/dbraw/zinc/02/83/62/158028362.db2.gz WELPQNYLUQTUJF-UHFFFAOYSA-N 1 0 322.438 0.797 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCSc1nnnn1C ZINC000068224421 158042175 /nfs/dbraw/zinc/04/21/75/158042175.db2.gz JGKMTIAYLNVSAT-LLVKDONJSA-N 1 0 314.459 0.785 10 0 DCAERO COCCCNC(=O)CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000071997590 158051083 /nfs/dbraw/zinc/05/10/83/158051083.db2.gz GREMEVVFRJACSB-CQSZACIVSA-N 1 0 313.442 0.324 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000084935769 158088588 /nfs/dbraw/zinc/08/85/88/158088588.db2.gz RCJKOPDZIWDQMQ-STQMWFEESA-N 1 0 307.460 0.662 10 0 DCAERO [NH3+]CC(=O)NCC(=O)Nc1cc(Br)ccc1O ZINC000094573617 158122655 /nfs/dbraw/zinc/12/26/55/158122655.db2.gz MVJHVVJEMBXEQM-UHFFFAOYSA-N 1 0 302.128 0.168 10 0 DCAERO CN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000096780299 158124025 /nfs/dbraw/zinc/12/40/25/158124025.db2.gz HWBYIMYPXJDGEW-UHFFFAOYSA-N 1 0 303.410 0.221 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC000105885332 158132008 /nfs/dbraw/zinc/13/20/08/158132008.db2.gz AYWSLDUOQMGJSP-CQSZACIVSA-N 1 0 319.409 0.756 10 0 DCAERO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)N(C)C(C)C)C2)CC1 ZINC000106894133 158133416 /nfs/dbraw/zinc/13/34/16/158133416.db2.gz DUQWEPJGIOENIB-CQSZACIVSA-N 1 0 318.487 0.283 10 0 DCAERO CC(C)n1nnnc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201809 158141936 /nfs/dbraw/zinc/14/19/36/158141936.db2.gz HAJLYBZLUCKGCK-AWEZNQCLSA-N 1 0 308.430 0.798 10 0 DCAERO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(N)=O ZINC000114801206 158158136 /nfs/dbraw/zinc/15/81/36/158158136.db2.gz QQXSKKCTFGYAOA-AWEZNQCLSA-N 1 0 304.394 0.778 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000116784225 158167417 /nfs/dbraw/zinc/16/74/17/158167417.db2.gz JPEQHLPUNVZRPV-ZFWWWQNUSA-N 1 0 323.437 0.567 10 0 DCAERO Cc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C(N)=O ZINC000118816911 158179323 /nfs/dbraw/zinc/17/93/23/158179323.db2.gz NCYUUOMKXNSFKQ-ZDUSSCGKSA-N 1 0 320.393 0.888 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC000124221172 158239821 /nfs/dbraw/zinc/23/98/21/158239821.db2.gz FZJMKMWTSNOTOD-WDEREUQCSA-N 1 0 310.398 0.258 10 0 DCAERO CC[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[NH+](C)C ZINC000124649877 158245099 /nfs/dbraw/zinc/24/50/99/158245099.db2.gz QJEPKHCFOJVFIW-KGLIPLIRSA-N 1 0 311.426 0.424 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1CCOCC1 ZINC000124842920 158247769 /nfs/dbraw/zinc/24/77/69/158247769.db2.gz VVTYNJMWXADJEN-CQSZACIVSA-N 1 0 300.447 0.594 10 0 DCAERO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000125955494 158260181 /nfs/dbraw/zinc/26/01/81/158260181.db2.gz ZPGWOSOMPIDWLB-GXFFZTMASA-N 1 0 311.407 0.338 10 0 DCAERO CC(C)[N@H+](C)CC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126348744 158265394 /nfs/dbraw/zinc/26/53/94/158265394.db2.gz UQBUAFXNNNELIR-UHFFFAOYSA-N 1 0 308.426 0.922 10 0 DCAERO COc1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1O ZINC000127225122 158271085 /nfs/dbraw/zinc/27/10/85/158271085.db2.gz VYCTUEJDQTXDOL-LBPRGKRZSA-N 1 0 306.362 0.994 10 0 DCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CCO)CCOC1 ZINC000128256214 158280295 /nfs/dbraw/zinc/28/02/95/158280295.db2.gz MLZSKXHWSKPRRH-GDBMZVCRSA-N 1 0 313.442 0.949 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000129597742 158289504 /nfs/dbraw/zinc/28/95/04/158289504.db2.gz SZFBNIRZCPJQJH-KFWWJZLASA-N 1 0 321.425 0.776 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000130014510 158292174 /nfs/dbraw/zinc/29/21/74/158292174.db2.gz QVLNLLMHEJCNLP-QWHCGFSZSA-N 1 0 320.441 0.748 10 0 DCAERO COCC(=O)N(C)CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000131949947 158306994 /nfs/dbraw/zinc/30/69/94/158306994.db2.gz SUVTWENEQQPDSG-CQSZACIVSA-N 1 0 311.426 0.568 10 0 DCAERO Cc1c(CNC(=O)NCC2CC[NH+](CCO)CC2)cnn1C ZINC000132256178 158308936 /nfs/dbraw/zinc/30/89/36/158308936.db2.gz FOCPDYLDORQVLX-UHFFFAOYSA-N 1 0 309.414 0.232 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000133765834 158321403 /nfs/dbraw/zinc/32/14/03/158321403.db2.gz RWMMVQDOBIZXMC-AWEZNQCLSA-N 1 0 312.391 0.879 10 0 DCAERO CN1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1=O ZINC000134148349 158324201 /nfs/dbraw/zinc/32/42/01/158324201.db2.gz IKOOLLKUNPRKSF-CQSZACIVSA-N 1 0 323.437 0.759 10 0 DCAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000134208416 158325775 /nfs/dbraw/zinc/32/57/75/158325775.db2.gz 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158387226 /nfs/dbraw/zinc/38/72/26/158387226.db2.gz JDJRAGDVPTTXIE-MBVDDHJVSA-N 1 0 314.389 0.761 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C(C)C ZINC000171944866 158388282 /nfs/dbraw/zinc/38/82/82/158388282.db2.gz AOIBWPSIBFUXDE-HIFRSBDPSA-N 1 0 301.431 0.803 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@](C)(O)C(C)C ZINC000171944860 158388549 /nfs/dbraw/zinc/38/85/49/158388549.db2.gz AOIBWPSIBFUXDE-ZFWWWQNUSA-N 1 0 301.431 0.803 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172583535 158396327 /nfs/dbraw/zinc/39/63/27/158396327.db2.gz XKNXTLDRGFEITE-MRXNPFEDSA-N 1 0 324.469 0.977 10 0 DCAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189054800 158549821 /nfs/dbraw/zinc/54/98/21/158549821.db2.gz ZGVRGBOSTOIMSV-HNNXBMFYSA-N 1 0 323.437 0.517 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000262105355 158772983 /nfs/dbraw/zinc/77/29/83/158772983.db2.gz FATUENPJBZQZPS-AMIZOPFISA-N 1 0 305.309 0.390 10 0 DCAERO 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/nfs/dbraw/zinc/10/81/94/416108194.db2.gz WIIIJUXLUSBTJS-NTZNESFSSA-N 1 0 303.380 0.322 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN1C(=O)N[C@@](C)(CC)C1=O ZINC000175544022 416108779 /nfs/dbraw/zinc/10/87/79/416108779.db2.gz AWTPWVBEBJQRGH-WBMJQRKESA-N 1 0 324.425 0.650 10 0 DCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000175795142 416114806 /nfs/dbraw/zinc/11/48/06/416114806.db2.gz WKDABLRBMHDYPC-LSDHHAIUSA-N 1 0 313.442 0.226 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000176361471 416124283 /nfs/dbraw/zinc/12/42/83/416124283.db2.gz UHBVQSYGKPTGSY-RYUDHWBXSA-N 1 0 305.444 0.545 10 0 DCAERO CC(C)NC(=O)C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176633391 416130738 /nfs/dbraw/zinc/13/07/38/416130738.db2.gz LVWJZMNHAQSMAD-GFCCVEGCSA-N 1 0 305.444 0.114 10 0 DCAERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357780305 416131908 /nfs/dbraw/zinc/13/19/08/416131908.db2.gz MUFBWDTXZMYXSJ-AWEZNQCLSA-N 1 0 316.409 0.608 10 0 DCAERO 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416567282 /nfs/dbraw/zinc/56/72/82/416567282.db2.gz NQNMPYFEHAHYAD-LBPRGKRZSA-N 1 0 320.455 0.379 10 0 DCAERO Cc1oc(C(=O)N(C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000539416068 416579152 /nfs/dbraw/zinc/57/91/52/416579152.db2.gz AHBDLRSPPVJHRU-UHFFFAOYSA-N 1 0 303.384 0.259 10 0 DCAERO Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CCC[NH+](C)C ZINC000539417329 416580484 /nfs/dbraw/zinc/58/04/84/416580484.db2.gz HSSXCGYHMAEBRH-UHFFFAOYSA-N 1 0 306.366 0.859 10 0 DCAERO C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000547691695 416682040 /nfs/dbraw/zinc/68/20/40/416682040.db2.gz NGPUPIFZLISNFK-AVGNSLFASA-N 1 0 308.382 0.940 10 0 DCAERO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CC=CCC2)c(=O)n(C)c1=O ZINC000542248110 416621419 /nfs/dbraw/zinc/62/14/19/416621419.db2.gz HHNKARBDNNRGIG-NSHDSACASA-N 1 0 320.393 0.137 10 0 DCAERO CC(=O)N1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000542518287 416626577 /nfs/dbraw/zinc/62/65/77/416626577.db2.gz JEFQNVAHRHGYBL-KRWDZBQOSA-N 1 0 316.405 0.813 10 0 DCAERO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544319246 416654205 /nfs/dbraw/zinc/65/42/05/416654205.db2.gz QUGGNBHLQUHFPA-NSHDSACASA-N 1 0 310.402 0.875 10 0 DCAERO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)CCCO ZINC000440962353 416654999 /nfs/dbraw/zinc/65/49/99/416654999.db2.gz CQDNEDREILWEAY-OAHLLOKOSA-N 1 0 320.389 0.427 10 0 DCAERO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)CCCO)CC1 ZINC000440953798 416655881 /nfs/dbraw/zinc/65/58/81/416655881.db2.gz HRJNHKWZCVMPNB-UHFFFAOYSA-N 1 0 313.442 0.406 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000425528997 416714330 /nfs/dbraw/zinc/71/43/30/416714330.db2.gz VBNWIZJGELYODR-RFGFWPKPSA-N 1 0 302.440 0.361 10 0 DCAERO CC(=O)N1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)c2ccccc21 ZINC000516275578 416719535 /nfs/dbraw/zinc/71/95/35/416719535.db2.gz SYHOZAKRGRBGFX-OAHLLOKOSA-N 1 0 317.389 0.979 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000631954236 416828925 /nfs/dbraw/zinc/82/89/25/416828925.db2.gz FVQLFGPOYWLNMZ-UTUOFQBUSA-N 1 0 306.453 0.275 10 0 DCAERO COC[C@@H](C)S(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000631964882 416836998 /nfs/dbraw/zinc/83/69/98/416836998.db2.gz OCYFBCFXNSHHRH-TZMCWYRMSA-N 1 0 300.424 0.901 10 0 DCAERO C=Cn1cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cn1 ZINC000623616757 416853612 /nfs/dbraw/zinc/85/36/12/416853612.db2.gz BYJNQHNMLSAOTJ-MRXNPFEDSA-N 1 0 306.410 0.689 10 0 DCAERO O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000518438310 416856826 /nfs/dbraw/zinc/85/68/26/416856826.db2.gz NZCJOCPBUHNYPD-KBPBESRZSA-N 1 0 321.421 0.511 10 0 DCAERO COc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000624386678 417025777 /nfs/dbraw/zinc/02/57/77/417025777.db2.gz SVLPOHFQTLPUGD-UHFFFAOYSA-N 1 0 300.380 0.481 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000624395342 417026637 /nfs/dbraw/zinc/02/66/37/417026637.db2.gz SNXNTSHOHGMDOB-UHFFFAOYSA-N 1 0 302.396 0.518 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000523703399 417093515 /nfs/dbraw/zinc/09/35/15/417093515.db2.gz ZDMHCLKWDJUPFD-UHFFFAOYSA-N 1 0 317.437 0.975 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400096983 417111113 /nfs/dbraw/zinc/11/11/13/417111113.db2.gz FZGXPXYANGUZCV-FIYWTHMPSA-N 1 0 302.440 0.691 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404206617 417117398 /nfs/dbraw/zinc/11/73/98/417117398.db2.gz QRZRXHWKSGCTKK-LLVKDONJSA-N 1 0 304.188 0.814 10 0 DCAERO C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1CO ZINC000408005135 417132991 /nfs/dbraw/zinc/13/29/91/417132991.db2.gz OYUXATMMWVAMHA-ZFWWWQNUSA-N 1 0 323.437 0.160 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000408053567 417136738 /nfs/dbraw/zinc/13/67/38/417136738.db2.gz YKZISNYVDMVJTO-XNRPHZJLSA-N 1 0 311.426 0.301 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1C[NH3+] ZINC000261570765 287358415 /nfs/dbraw/zinc/35/84/15/287358415.db2.gz PHCPPKPPMSPYDG-SCZZXKLOSA-N 1 0 306.819 0.821 10 0 DCAERO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000408047904 417137756 /nfs/dbraw/zinc/13/77/56/417137756.db2.gz JUIHQIKTUHSNLN-INIZCTEOSA-N 1 0 309.410 0.058 10 0 DCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408045255 299022285 /nfs/dbraw/zinc/02/22/85/299022285.db2.gz YPXSVSXZRSFRST-RWMBFGLXSA-N 1 0 311.426 0.469 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000449749022 417174748 /nfs/dbraw/zinc/17/47/48/417174748.db2.gz OGIZKKAUVYGDBL-LBPRGKRZSA-N 1 0 311.407 0.465 10 0 DCAERO C[C@H](O)CCN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000450909206 417284172 /nfs/dbraw/zinc/28/41/72/417284172.db2.gz WDWJSPNUWKKBNI-GUYCJALGSA-N 1 0 317.389 0.954 10 0 DCAERO CCC[C@H](O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000451042603 417294803 /nfs/dbraw/zinc/29/48/03/417294803.db2.gz WJXYHNXDNMKKFS-OLZOCXBDSA-N 1 0 304.456 0.941 10 0 DCAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000450728101 417261751 /nfs/dbraw/zinc/26/17/51/417261751.db2.gz JSDUDDVEXLOUPW-ZENOOKHLSA-N 1 0 306.406 0.909 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)Cc2ccccc2F)CCOCC1 ZINC000528053789 417297358 /nfs/dbraw/zinc/29/73/58/417297358.db2.gz ZVTQNUCVPDHPDB-UHFFFAOYSA-N 1 0 302.371 0.753 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCC(=O)N2CCC[C@H]2C)CC12COC2 ZINC000451131967 417301078 /nfs/dbraw/zinc/30/10/78/417301078.db2.gz HYPBRIODKAPXRD-ZIAGYGMSSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCC(C)CC2)CC12COC2 ZINC000451139204 417304725 /nfs/dbraw/zinc/30/47/25/417304725.db2.gz RRUFEEUMZKYICK-CQSZACIVSA-N 1 0 324.421 0.756 10 0 DCAERO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCCOC)CC1 ZINC000452047884 417437032 /nfs/dbraw/zinc/43/70/32/417437032.db2.gz LHFBNFSTLVFGKY-UHFFFAOYSA-N 1 0 321.487 0.358 10 0 DCAERO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c[nH]1 ZINC000452343461 417469087 /nfs/dbraw/zinc/46/90/87/417469087.db2.gz KZPMVVKHWLDLEC-LBPRGKRZSA-N 1 0 309.366 0.378 10 0 DCAERO CC(C)(C[NH2+][C@@H]1CCCS(=O)(=O)CC1)N1CCOCC1 ZINC000634950655 417548034 /nfs/dbraw/zinc/54/80/34/417548034.db2.gz ZQJWBJCCOYJRCH-CYBMUJFWSA-N 1 0 304.456 0.654 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C)c2)CC12COC2 ZINC000455042192 417591935 /nfs/dbraw/zinc/59/19/35/417591935.db2.gz OIEZDFKDEGFMOL-ZDUSSCGKSA-N 1 0 319.361 0.855 10 0 DCAERO CCn1cc(O[C@@H]2C[N@H+](Cc3nc(C)ccc3O)C[C@H]2O)cn1 ZINC000628375483 417610797 /nfs/dbraw/zinc/61/07/97/417610797.db2.gz GYJXNUKRUPJSAE-HZPDHXFCSA-N 1 0 318.377 0.936 10 0 DCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000531807104 417639695 /nfs/dbraw/zinc/63/96/95/417639695.db2.gz NTWUDFVOYIYZJZ-GFCCVEGCSA-N 1 0 309.418 0.329 10 0 DCAERO NC(=O)c1cncc(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000580810146 417723158 /nfs/dbraw/zinc/72/31/58/417723158.db2.gz AEQKYWQEYILNFZ-UHFFFAOYSA-N 1 0 305.382 0.124 10 0 DCAERO Cn1nc(C2CC2)nc1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000648787292 418157105 /nfs/dbraw/zinc/15/71/05/418157105.db2.gz LWRZGENJCOQXEU-GFCCVEGCSA-N 1 0 307.398 0.024 10 0 DCAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459703227 287503226 /nfs/dbraw/zinc/50/32/26/287503226.db2.gz RZNURSDOUSSJDQ-TZMCWYRMSA-N 1 0 318.377 0.979 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(c3ccncc3C(N)=O)CC2)CCO1 ZINC000302020179 230040192 /nfs/dbraw/zinc/04/01/92/230040192.db2.gz HMXQJHCYXVMRTJ-GFCCVEGCSA-N 1 0 304.394 0.870 10 0 DCAERO CCCCOCCNC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924219 261107966 /nfs/dbraw/zinc/10/79/66/261107966.db2.gz IORWPOUCVOAWHG-CQSZACIVSA-N 1 0 301.431 0.182 10 0 DCAERO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000184342326 261118617 /nfs/dbraw/zinc/11/86/17/261118617.db2.gz OUAWUCQQZWLYQK-UHFFFAOYSA-N 1 0 323.418 0.827 10 0 DCAERO CCCc1cc(N2CC[N@H+](CCO)[C@H](C)C2)n2ncnc2n1 ZINC000189401549 261131833 /nfs/dbraw/zinc/13/18/33/261131833.db2.gz HOWHUAIMYWZBGW-GFCCVEGCSA-N 1 0 304.398 0.580 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000194145471 261145173 /nfs/dbraw/zinc/14/51/73/261145173.db2.gz HPKKVTLXVICQND-CQSZACIVSA-N 1 0 319.409 0.595 10 0 DCAERO Cn1c2ccccc2n(CCC(=O)NC[C@@H]2CCC[N@@H+]2C)c1=O ZINC000194713953 261147587 /nfs/dbraw/zinc/14/75/87/261147587.db2.gz OVNCOENXPQZNJT-ZDUSSCGKSA-N 1 0 316.405 0.941 10 0 DCAERO CCO[C@@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)[C@H]1OC ZINC000362110320 262000531 /nfs/dbraw/zinc/00/05/31/262000531.db2.gz RMVGECIONOFAGQ-MGPQQGTHSA-N 1 0 308.382 0.407 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000362349406 262024487 /nfs/dbraw/zinc/02/44/87/262024487.db2.gz APHPZUVVQOYIQC-JKSUJKDBSA-N 1 0 322.453 0.236 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000394762396 262162734 /nfs/dbraw/zinc/16/27/34/262162734.db2.gz GKLJHWAPWWBIBN-SNVBAGLBSA-N 1 0 322.333 0.734 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397351083 262164045 /nfs/dbraw/zinc/16/40/45/262164045.db2.gz UKYQWLWREBVSRK-WOPDTQHZSA-N 1 0 300.428 0.897 10 0 DCAERO 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/nfs/dbraw/zinc/81/50/52/275815052.db2.gz KEDCRGUSOMAIPZ-CYBMUJFWSA-N 1 0 303.410 0.903 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1cccnc1 ZINC000164967108 275900158 /nfs/dbraw/zinc/90/01/58/275900158.db2.gz YTSKZWLHRHXZSV-AWEZNQCLSA-N 1 0 306.410 0.904 10 0 DCAERO C[C@H](C(=O)N(C)CCC[NH+](C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000537215481 287864472 /nfs/dbraw/zinc/86/44/72/287864472.db2.gz HNDZVOTZAIJLQO-MGPQQGTHSA-N 1 0 323.437 0.960 10 0 DCAERO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)CCC[NH+](C)C)C1 ZINC000539419540 287891181 /nfs/dbraw/zinc/89/11/81/287891181.db2.gz UBRKKSFIYGNSPH-CYBMUJFWSA-N 1 0 319.471 0.458 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261744607 277013859 /nfs/dbraw/zinc/01/38/59/277013859.db2.gz OIIIHYPMVPWDJI-OAHLLOKOSA-N 1 0 321.446 0.938 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](C)S1(=O)=O ZINC000333712265 287941094 /nfs/dbraw/zinc/94/10/94/287941094.db2.gz SMTUGSVYPGBSBK-UTUOFQBUSA-N 1 0 303.428 0.346 10 0 DCAERO 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/nfs/dbraw/zinc/02/90/26/288029026.db2.gz TWEINQPOXCCBKV-CYBMUJFWSA-N 1 0 308.430 0.245 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)S1(=O)=O ZINC000333712263 278660086 /nfs/dbraw/zinc/66/00/86/278660086.db2.gz SMTUGSVYPGBSBK-TUAOUCFPSA-N 1 0 303.428 0.346 10 0 DCAERO Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cnnn2C)on1 ZINC000548022820 288102763 /nfs/dbraw/zinc/10/27/63/288102763.db2.gz QLLWIRLBPPNOMG-RYUDHWBXSA-N 1 0 308.361 0.814 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1CCCS1(=O)=O ZINC000120963054 279122343 /nfs/dbraw/zinc/12/23/43/279122343.db2.gz FFLPFGVLBYDHRC-GFCCVEGCSA-N 1 0 305.444 0.114 10 0 DCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163021960 279218615 /nfs/dbraw/zinc/21/86/15/279218615.db2.gz RDEKPHQJRDMYEX-CKYFFXLPSA-N 1 0 308.382 0.045 10 0 DCAERO C[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C1=CC[N@H+](C)CC1 ZINC000548720274 288170644 /nfs/dbraw/zinc/17/06/44/288170644.db2.gz CGDWLVZVUYWXFJ-CXAGYDPISA-N 1 0 319.405 0.366 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000172356113 280206956 /nfs/dbraw/zinc/20/69/56/280206956.db2.gz RWHNBDPTILOOSK-CYBMUJFWSA-N 1 0 310.398 0.700 10 0 DCAERO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000175980522 280323501 /nfs/dbraw/zinc/32/35/01/280323501.db2.gz NPMGYEWZWHISEK-OAHLLOKOSA-N 1 0 319.453 0.971 10 0 DCAERO C[C@@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)[NH+]1CCCC1 ZINC000552703284 288279161 /nfs/dbraw/zinc/27/91/61/288279161.db2.gz RGNITBDCEXHXKT-LBPRGKRZSA-N 1 0 315.377 0.873 10 0 DCAERO CC1(C)CN(C(=O)CCC2CC[NH2+]CC2)CCS1(=O)=O ZINC000236634168 281163000 /nfs/dbraw/zinc/16/30/00/281163000.db2.gz MTZCTGWYNKSMGJ-UHFFFAOYSA-N 1 0 302.440 0.802 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)CC ZINC000136939700 281188924 /nfs/dbraw/zinc/18/89/24/281188924.db2.gz WSOBOAZMQJFKHG-NWDGAFQWSA-N 1 0 303.428 0.011 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)N1CCCC1 ZINC000175034054 281193953 /nfs/dbraw/zinc/19/39/53/281193953.db2.gz UDWMUUSKLOCMJV-LSDHHAIUSA-N 1 0 322.453 0.284 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000246945122 281196573 /nfs/dbraw/zinc/19/65/73/281196573.db2.gz LCJBMIZMWVJQCQ-RYUDHWBXSA-N 1 0 322.409 0.402 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000262429695 281461335 /nfs/dbraw/zinc/46/13/35/281461335.db2.gz FSLMVJTZNJKWQQ-AXAPSJFSSA-N 1 0 304.394 0.758 10 0 DCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333876175 289045525 /nfs/dbraw/zinc/04/55/25/289045525.db2.gz VJZBUDAAUUKGDU-GDBMZVCRSA-N 1 0 322.453 0.801 10 0 DCAERO CN(CCS(C)(=O)=O)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228929059 289683629 /nfs/dbraw/zinc/68/36/29/289683629.db2.gz SIQMYZFYNWCSKD-COPLHBTASA-N 1 0 318.439 0.022 10 0 DCAERO Cn1ccc(N2CCC[C@H](N3CC[N@@H+]4CCC[C@H]4C3)C2=O)n1 ZINC000247230126 294348021 /nfs/dbraw/zinc/34/80/21/294348021.db2.gz WUDLPYGQAMPWMJ-KBPBESRZSA-N 1 0 303.410 0.696 10 0 DCAERO COc1ccccc1[C@@H]1C[NH2+]CCN1CCC(=O)NC(N)=O ZINC000262232582 295393717 /nfs/dbraw/zinc/39/37/17/295393717.db2.gz ODPLAZHNISQRLD-LBPRGKRZSA-N 1 0 306.366 0.227 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000113579093 297093257 /nfs/dbraw/zinc/09/32/57/297093257.db2.gz JITIJBKVYRIPNQ-HUUCEWRRSA-N 1 0 324.469 0.975 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000262781840 297109826 /nfs/dbraw/zinc/10/98/26/297109826.db2.gz PCSSXWRUDGJWLS-QMTHXVAHSA-N 1 0 323.418 0.249 10 0 DCAERO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000369304101 298120796 /nfs/dbraw/zinc/12/07/96/298120796.db2.gz XSCWKKLIUKTGRP-BMIGLBTASA-N 1 0 310.398 0.211 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000262781838 300326166 /nfs/dbraw/zinc/32/61/66/300326166.db2.gz PCSSXWRUDGJWLS-IINYFYTJSA-N 1 0 323.418 0.249 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cn4c(n3)CCCC4)C[C@H]12 ZINC000261994057 303474448 /nfs/dbraw/zinc/47/44/48/303474448.db2.gz FHDBLVOAMJFXAH-SDDRHHMPSA-N 1 0 310.423 0.577 10 0 DCAERO O=S(=O)(c1ccccc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000570787689 332816168 /nfs/dbraw/zinc/81/61/68/332816168.db2.gz SOCHNCIVRKOHEL-WDEREUQCSA-N 1 0 302.783 0.701 10 0 DCAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000187959966 333002221 /nfs/dbraw/zinc/00/22/21/333002221.db2.gz DNXSIIKFIHQVHD-BBRMVZONSA-N 1 0 308.426 0.861 10 0 DCAERO Cn1nncc1C[NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000276289392 534363124 /nfs/dbraw/zinc/36/31/24/534363124.db2.gz HIKMFABCTLVLAW-QWHCGFSZSA-N 1 0 319.413 0.908 10 0 DCAERO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C[NH3+])c(F)cc1F ZINC000161527060 518770696 /nfs/dbraw/zinc/77/06/96/518770696.db2.gz NIUANKDWRFSUQU-UHFFFAOYSA-N 1 0 321.349 0.939 10 0 DCAERO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000246240861 519514902 /nfs/dbraw/zinc/51/49/02/519514902.db2.gz UUWMGHMNVICRRE-INIZCTEOSA-N 1 0 322.453 0.284 10 0 DCAERO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1=O ZINC000246590983 519667232 /nfs/dbraw/zinc/66/72/32/519667232.db2.gz IMTALCAXQOVSRI-NDBYEHHHSA-N 1 0 307.394 0.559 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000119201874 520622799 /nfs/dbraw/zinc/62/27/99/520622799.db2.gz RJCUALSFDLVORU-BETUJISGSA-N 1 0 307.460 0.662 10 0 DCAERO CC[NH+](CC)CCN(CCOC)c1nc2c(cnn2C)c(N)n1 ZINC000192741668 520644646 /nfs/dbraw/zinc/64/46/46/520644646.db2.gz CJTGVRJYKCQXGS-UHFFFAOYSA-N 1 0 321.429 0.740 10 0 DCAERO CC1CC[NH+](CCNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000368898484 521011673 /nfs/dbraw/zinc/01/16/73/521011673.db2.gz ZAOPCRIZADNCMM-OAHLLOKOSA-N 1 0 310.442 0.444 10 0 DCAERO CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)CC1 ZINC000267624024 521572710 /nfs/dbraw/zinc/57/27/10/521572710.db2.gz ORUBLUJYYNATNG-OAHLLOKOSA-N 1 0 321.425 0.987 10 0 DCAERO COCCSCCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000365133635 521775872 /nfs/dbraw/zinc/77/58/72/521775872.db2.gz OKLLKVCZGXPRBB-ZDUSSCGKSA-N 1 0 301.412 0.430 10 0 DCAERO C[NH+](C)CCOc1ccccc1CNC(=O)N1CC(CO)C1 ZINC000187932673 521805334 /nfs/dbraw/zinc/80/53/34/521805334.db2.gz NFULGFMVLCORGW-UHFFFAOYSA-N 1 0 307.394 0.761 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000156628708 522088823 /nfs/dbraw/zinc/08/88/23/522088823.db2.gz QFHFIRZRKYUKJE-GFCCVEGCSA-N 1 0 311.407 0.419 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(Cc2nccc(OC)c2OC)CC1 ZINC000190605388 522814302 /nfs/dbraw/zinc/81/43/02/522814302.db2.gz WZJHJGYAOJUUEF-ZDUSSCGKSA-N 1 0 309.410 0.987 10 0 DCAERO COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)Cc1ccc(O)cc1 ZINC000237081285 523581431 /nfs/dbraw/zinc/58/14/31/523581431.db2.gz ZLGGCOQDXBZVHE-OCCSQVGLSA-N 1 0 308.378 0.823 10 0 DCAERO CO[C@@H]1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000365090430 523698015 /nfs/dbraw/zinc/69/80/15/523698015.db2.gz RADPFIWAZDDWED-OWCLPIDISA-N 1 0 324.469 0.975 10 0 DCAERO COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)Cc1ccc(O)cc1 ZINC000237111829 523903401 /nfs/dbraw/zinc/90/34/01/523903401.db2.gz ZLGGCOQDXBZVHE-JSGCOSHPSA-N 1 0 308.378 0.823 10 0 DCAERO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000158354518 524082381 /nfs/dbraw/zinc/08/23/81/524082381.db2.gz MVWZHFRZOBFNQY-STQMWFEESA-N 1 0 312.414 0.017 10 0 DCAERO Cc1cccc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000163646247 524397052 /nfs/dbraw/zinc/39/70/52/524397052.db2.gz IWPKQIVPZAJQKZ-CVEARBPZSA-N 1 0 303.406 0.362 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3C[NH+](C)C)nc2n1 ZINC000267512865 524565548 /nfs/dbraw/zinc/56/55/48/524565548.db2.gz JCWXLFXZBKHYGS-GFCCVEGCSA-N 1 0 302.382 0.907 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000155149000 524566030 /nfs/dbraw/zinc/56/60/30/524566030.db2.gz UYMJWFPJOZDTJB-RYUDHWBXSA-N 1 0 315.373 0.834 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)CS(C)(=O)=O ZINC000246566396 524613633 /nfs/dbraw/zinc/61/36/33/524613633.db2.gz FHLFXRLRUQKKEH-QWHCGFSZSA-N 1 0 300.428 0.671 10 0 DCAERO Cc1cc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000365185907 524649462 /nfs/dbraw/zinc/64/94/62/524649462.db2.gz TXMRKSRCTDFZJK-ZIAGYGMSSA-N 1 0 308.382 0.988 10 0 DCAERO C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000262341002 524984853 /nfs/dbraw/zinc/98/48/53/524984853.db2.gz YKWDVFYOICOFRQ-SNVBAGLBSA-N 1 0 319.361 0.940 10 0 DCAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCOCC1 ZINC000262378553 525079616 /nfs/dbraw/zinc/07/96/16/525079616.db2.gz LBKUJAIDUZDNJZ-HOCLYGCPSA-N 1 0 318.417 0.882 10 0 DCAERO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[NH2+]2)s1 ZINC000237743658 525571889 /nfs/dbraw/zinc/57/18/89/525571889.db2.gz AYKVKEILUYJYJE-SNVBAGLBSA-N 1 0 317.436 0.203 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnn2c1CCCC2 ZINC000128334246 526572722 /nfs/dbraw/zinc/57/27/22/526572722.db2.gz SFLBTOJDNSDNDI-ZDUSSCGKSA-N 1 0 306.410 0.796 10 0 DCAERO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000364198383 527219591 /nfs/dbraw/zinc/21/95/91/527219591.db2.gz ZFJDJFMWURHDEG-CYBMUJFWSA-N 1 0 306.362 0.577 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCCC[C@H]2O)cn1 ZINC000262103712 527321731 /nfs/dbraw/zinc/32/17/31/527321731.db2.gz DWGIBTUSJJSDKN-PMOUVXMZSA-N 1 0 306.410 0.390 10 0 DCAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000105903372 527631323 /nfs/dbraw/zinc/63/13/23/527631323.db2.gz DVXLVFZLENGCMW-MRXNPFEDSA-N 1 0 324.469 0.940 10 0 DCAERO CC(C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000328603583 527735321 /nfs/dbraw/zinc/73/53/21/527735321.db2.gz GSNHZJJLCUMZAQ-AWEZNQCLSA-N 1 0 319.453 0.831 10 0 DCAERO CC(C)OCC[NH+]1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000175291313 527963951 /nfs/dbraw/zinc/96/39/51/527963951.db2.gz QXURHUWSBHZABP-HNNXBMFYSA-N 1 0 313.442 0.012 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246720908 528022248 /nfs/dbraw/zinc/02/22/48/528022248.db2.gz ADCPNLUPGCLGGC-GJZGRUSLSA-N 1 0 312.458 0.594 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)c2cc(O)ccc2OC)CC1 ZINC000186909254 529145939 /nfs/dbraw/zinc/14/59/39/529145939.db2.gz QVXZLMPVTDZVTH-UHFFFAOYSA-N 1 0 307.394 0.768 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163802106 535572138 /nfs/dbraw/zinc/57/21/38/535572138.db2.gz SQWSOJRRCGTSFQ-NSHDSACASA-N 1 0 320.397 0.082 10 0 DCAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094293804 545727920 /nfs/dbraw/zinc/72/79/20/545727920.db2.gz AVVHAULWSIYXRV-JTQLQIEISA-N 1 0 311.407 0.783 10 0 DCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000136403502 545806825 /nfs/dbraw/zinc/80/68/25/545806825.db2.gz AVDGIAFLDAOXOZ-QWHCGFSZSA-N 1 0 319.471 0.680 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2CO)C1 ZINC000157108040 545849396 /nfs/dbraw/zinc/84/93/96/545849396.db2.gz FFZBHZRJHHHJEM-ZIAGYGMSSA-N 1 0 304.456 0.895 10 0 DCAERO NC(=O)C[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)C1CCCCC1 ZINC000182062183 545904742 /nfs/dbraw/zinc/90/47/42/545904742.db2.gz IFVAADLOQLPZII-UONOGXRCSA-N 1 0 311.426 0.384 10 0 DCAERO Cn1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1N ZINC000183655483 545907999 /nfs/dbraw/zinc/90/79/99/545907999.db2.gz ONCYDJDAHGPFSG-CYBMUJFWSA-N 1 0 301.394 0.905 10 0 DCAERO CCOc1cnc(C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC000188334303 545917197 /nfs/dbraw/zinc/91/71/97/545917197.db2.gz MPFDXMWNUBAHEC-UHFFFAOYSA-N 1 0 308.382 0.718 10 0 DCAERO CCOc1cnc(C(=O)N2CCN(CCOC)[C@@H](C)C2)cn1 ZINC000189660275 545921308 /nfs/dbraw/zinc/92/13/08/545921308.db2.gz VTRSAXBREQKRQR-LBPRGKRZSA-N 1 0 308.382 0.668 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCC[C@H]3C[NH3+])n2)cc1 ZINC000237814495 545958001 /nfs/dbraw/zinc/95/80/01/545958001.db2.gz XJGYKGQHDAEZKA-KBPBESRZSA-N 1 0 314.393 0.892 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2ccc(F)cc2)CCOCC1 ZINC000262091054 545978474 /nfs/dbraw/zinc/97/84/74/545978474.db2.gz CZVPBHKULVGWOZ-SWLSCSKDSA-N 1 0 322.380 0.570 10 0 DCAERO CCOc1c(CNC[C@@H]2C[NH2+]C[C@H]2O)c(C)nn1CC(C)C ZINC000262087882 545978703 /nfs/dbraw/zinc/97/87/03/545978703.db2.gz GJPTWFNIWQHKGV-UKRRQHHQSA-N 1 0 310.442 0.916 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000262105359 545979591 /nfs/dbraw/zinc/97/95/91/545979591.db2.gz FATUENPJBZQZPS-SDBXPKJASA-N 1 0 305.309 0.390 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1-c1ccccc1C ZINC000262201027 545980386 /nfs/dbraw/zinc/98/03/86/545980386.db2.gz IFIDRMCBHKAUHR-CZUORRHYSA-N 1 0 314.389 0.799 10 0 DCAERO O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262230446 545981109 /nfs/dbraw/zinc/98/11/09/545981109.db2.gz KFEYUTUCZJMMLM-GXFFZTMASA-N 1 0 318.402 0.444 10 0 DCAERO CCN(CC)C(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262227562 545981264 /nfs/dbraw/zinc/98/12/64/545981264.db2.gz KAQKPAWJVHCAHU-CABCVRRESA-N 1 0 319.405 0.479 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000262326404 545983499 /nfs/dbraw/zinc/98/34/99/545983499.db2.gz RWAXNOFWBKGQHA-BPUTZDHNSA-N 1 0 320.389 0.555 10 0 DCAERO CCOc1ccc(SCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262364787 545984406 /nfs/dbraw/zinc/98/44/06/545984406.db2.gz VMGRHLUPETXKSD-BXUZGUMPSA-N 1 0 310.419 0.874 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(NC(=O)C2CC2)c1 ZINC000262397177 545984960 /nfs/dbraw/zinc/98/49/60/545984960.db2.gz YJSZCKNTURIDQG-JSGCOSHPSA-N 1 0 303.362 0.345 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000329097690 546043603 /nfs/dbraw/zinc/04/36/03/546043603.db2.gz LSHBOSVOHBIEFU-BETUJISGSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333563470 546084490 /nfs/dbraw/zinc/08/44/90/546084490.db2.gz LHRSUFMWSOAQKN-CABNGKKXSA-N 1 0 307.398 0.690 10 0 DCAERO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000358089032 546189641 /nfs/dbraw/zinc/18/96/41/546189641.db2.gz BHFRTUSPOTXVPZ-LBPRGKRZSA-N 1 0 323.441 0.613 10 0 DCAERO C[C@H](OCc1ccccc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405344914 546229751 /nfs/dbraw/zinc/22/97/51/546229751.db2.gz FQSKFPAWIXNUKZ-CWRNSKLLSA-N 1 0 304.390 0.869 10 0 DCAERO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000671492745 547225265 /nfs/dbraw/zinc/22/52/65/547225265.db2.gz IYCUTDUOEADUTC-OAHLLOKOSA-N 1 0 314.349 0.898 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cncn1C)C2 ZINC000888095343 661166212 /nfs/dbraw/zinc/16/62/12/661166212.db2.gz WHRSVJQZOCCBIZ-XKVFNRALSA-N 1 0 306.410 0.630 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC000888095474 661166469 /nfs/dbraw/zinc/16/64/69/661166469.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 0 321.425 0.333 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000337165503 661251005 /nfs/dbraw/zinc/25/10/05/661251005.db2.gz XQKPJPGQQFPHEG-OZVIIMIRSA-N 1 0 322.409 0.306 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261599896 658212134 /nfs/dbraw/zinc/21/21/34/658212134.db2.gz VUXRRHJBGBUHPE-GMSGAONNSA-N 1 0 316.379 0.651 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)N[C@](C)(COC)C1=O ZINC000177159620 658706741 /nfs/dbraw/zinc/70/67/41/658706741.db2.gz WGOVETGJGVKPFM-IUODEOHRSA-N 1 0 312.414 0.317 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000177157643 658706864 /nfs/dbraw/zinc/70/68/64/658706864.db2.gz STRIIBLCOZHJQM-CYBMUJFWSA-N 1 0 324.425 0.807 10 0 DCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)/C=C\c1ccccc1 ZINC000096859362 658747075 /nfs/dbraw/zinc/74/70/75/658747075.db2.gz ICVRSBAQEHRAFK-XRMAHGQMSA-N 1 0 309.391 0.135 10 0 DCAERO O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723660352 658892515 /nfs/dbraw/zinc/89/25/15/658892515.db2.gz OYUULUVAGLBFST-HZSPNIEDSA-N 1 0 302.440 0.817 10 0 DCAERO CCC(=O)N1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722217332 659371063 /nfs/dbraw/zinc/37/10/63/659371063.db2.gz MSFIPHBAHBEFDD-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CC2CC2)CC1 ZINC000124200715 659658748 /nfs/dbraw/zinc/65/87/48/659658748.db2.gz ZGLAVUQSQVTMPC-HUUCEWRRSA-N 1 0 303.406 0.923 10 0 DCAERO O=S(=O)(/C=C/c1ccccc1)NCCCN1CC[NH2+]CC1 ZINC000036300265 661412323 /nfs/dbraw/zinc/41/23/23/661412323.db2.gz RVNLBMIRQYGTSK-VGOFMYFVSA-N 1 0 309.435 0.872 10 0 DCAERO NC(=O)N1CCC[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261743028 661598997 /nfs/dbraw/zinc/59/89/97/661598997.db2.gz OERWKYUQSLIEFE-HNNXBMFYSA-N 1 0 318.421 0.807 10 0 DCAERO COc1ccc2nnc(C(=O)N[C@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000222561039 661620751 /nfs/dbraw/zinc/62/07/51/661620751.db2.gz BAYSKJZEBJPPKP-AWEZNQCLSA-N 1 0 313.361 0.857 10 0 DCAERO CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178886293 661682851 /nfs/dbraw/zinc/68/28/51/661682851.db2.gz DPNYMGAJGFHRJC-INIZCTEOSA-N 1 0 323.416 0.508 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000338678885 661757131 /nfs/dbraw/zinc/75/71/31/661757131.db2.gz YVDGWPGMTZUUPW-KBPBESRZSA-N 1 0 311.451 0.995 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000338678886 661757246 /nfs/dbraw/zinc/75/72/46/661757246.db2.gz YVDGWPGMTZUUPW-KGLIPLIRSA-N 1 0 311.451 0.995 10 0 DCAERO COC(=O)CCCCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261865629 661763103 /nfs/dbraw/zinc/76/31/03/661763103.db2.gz SOFUBPRRCRXOSP-CQSZACIVSA-N 1 0 300.399 0.980 10 0 DCAERO COc1ccc([C@H]2[C@@H](C(=O)NCC3C[NH2+]C3)CC(=O)N2C)cc1 ZINC000261940320 661893179 /nfs/dbraw/zinc/89/31/79/661893179.db2.gz GXFSCNKAIYZYGC-HOCLYGCPSA-N 1 0 317.389 0.550 10 0 DCAERO Cc1csc(NCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000909445944 662097218 /nfs/dbraw/zinc/09/72/18/662097218.db2.gz ROTVFWTXCRGCLI-VXGBXAGGSA-N 1 0 310.423 0.843 10 0 DCAERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCO[C@H](c2nccs2)C1 ZINC000896287024 662257629 /nfs/dbraw/zinc/25/76/29/662257629.db2.gz YSHFWRRHIIYKKT-STQMWFEESA-N 1 0 323.418 0.764 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)NCCS(C)(=O)=O)CC1 ZINC000727937289 662320480 /nfs/dbraw/zinc/32/04/80/662320480.db2.gz ZBSDKFAJCMHMIL-UHFFFAOYSA-N 1 0 319.471 0.794 10 0 DCAERO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915526 663114181 /nfs/dbraw/zinc/11/41/81/663114181.db2.gz POXCFEXHLUVBTE-CHWSQXEVSA-N 1 0 303.362 0.930 10 0 DCAERO CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000900605143 663259878 /nfs/dbraw/zinc/25/98/78/663259878.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 1 0 323.437 0.568 10 0 DCAERO CN(C)c1nn(CN2CCO[C@H](C[NH+](C)C)C2)c(=S)s1 ZINC000153001200 664787257 /nfs/dbraw/zinc/78/72/57/664787257.db2.gz CJOHHKOCWJWFHU-SNVBAGLBSA-N 1 0 317.484 0.960 10 0 DCAERO C[NH+](C)[C@@H]1CCN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)C1 ZINC000170842738 665328646 /nfs/dbraw/zinc/32/86/46/665328646.db2.gz JYHAJHFKVVVUFS-CYBMUJFWSA-N 1 0 306.410 0.690 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422628246 666280401 /nfs/dbraw/zinc/28/04/01/666280401.db2.gz TVDBZDPJCQXBLY-TZMCWYRMSA-N 1 0 305.403 0.824 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000700954518 666781796 /nfs/dbraw/zinc/78/17/96/666781796.db2.gz GWNVHCDAUGCDEA-WCQYABFASA-N 1 0 303.428 0.140 10 0 DCAERO COC1CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 ZINC000702830167 667001418 /nfs/dbraw/zinc/00/14/18/667001418.db2.gz JFIOVIZPJRVHMJ-XVSSEFHLSA-N 1 0 300.399 0.981 10 0 DCAERO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1 ZINC000702846691 667010703 /nfs/dbraw/zinc/01/07/03/667010703.db2.gz RMZLYTYPVIGKDD-ZYHUDNBSSA-N 1 0 311.386 0.133 10 0 DCAERO NS(=O)(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000735882939 667051860 /nfs/dbraw/zinc/05/18/60/667051860.db2.gz CPAINGJIBZGWCE-CQSZACIVSA-N 1 0 303.472 0.863 10 0 DCAERO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000862943047 667099827 /nfs/dbraw/zinc/09/98/27/667099827.db2.gz LQAKSJXAFGFVJD-KGLIPLIRSA-N 1 0 317.397 0.174 10 0 DCAERO CCn1ncc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000863398054 667139210 /nfs/dbraw/zinc/13/92/10/667139210.db2.gz LPNRLOOVJHSKHR-BZPMIXESSA-N 1 0 307.398 0.670 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@H](C)C1 ZINC000120699617 667340206 /nfs/dbraw/zinc/34/02/06/667340206.db2.gz JOVFWFIXEKZLKB-OLZOCXBDSA-N 1 0 319.471 0.793 10 0 DCAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)C[NH+](C)C ZINC000707339307 667437848 /nfs/dbraw/zinc/43/78/48/667437848.db2.gz HJNBSVMCKHQKTP-AWEZNQCLSA-N 1 0 307.394 0.467 10 0 DCAERO COC[C@]1(C(=O)NCCC2SCCS2)C[NH2+]CCO1 ZINC000710726668 667446172 /nfs/dbraw/zinc/44/61/72/667446172.db2.gz RTQSEHMKVKBBOM-LBPRGKRZSA-N 1 0 306.453 0.304 10 0 DCAERO COC[C@@]1(C(=O)N[C@H](C)COCc2ccccc2)C[NH2+]CCO1 ZINC000710691400 667446217 /nfs/dbraw/zinc/44/62/17/667446217.db2.gz QCFJKEVXQVBJFS-RHSMWYFYSA-N 1 0 322.405 0.713 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000717359231 667640535 /nfs/dbraw/zinc/64/05/35/667640535.db2.gz JYESRJZTQIIYNC-WUHRBBMRSA-N 1 0 302.415 0.963 10 0 DCAERO Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000886034978 667725891 /nfs/dbraw/zinc/72/58/91/667725891.db2.gz LNJCKBYWDKQBHI-SMDDNHRTSA-N 1 0 318.381 0.924 10 0 DCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2nnnn2C2CC2)C1 ZINC000886082606 667730373 /nfs/dbraw/zinc/73/03/73/667730373.db2.gz WOQLKJRGJTXNFN-MCIONIFRSA-N 1 0 306.414 0.739 10 0 DCAERO C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3cn[nH]n3)C2)ccn1 ZINC000886088856 667730571 /nfs/dbraw/zinc/73/05/71/667730571.db2.gz ZDIDLBKUVDWBJN-HNNXBMFYSA-N 1 0 302.382 0.915 10 0 DCAERO C[C@@H](O)[C@@H](O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000717363981 667733123 /nfs/dbraw/zinc/73/31/23/667733123.db2.gz GBYQUFJRLIWIMG-YPMHNXCESA-N 1 0 302.415 0.965 10 0 DCAERO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000124918047 668161355 /nfs/dbraw/zinc/16/13/55/668161355.db2.gz RJRDPXOSMKZFJC-UONOGXRCSA-N 1 0 301.408 0.730 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717080024 668408513 /nfs/dbraw/zinc/40/85/13/668408513.db2.gz JEENEUFRSFJJDQ-SFYZADRCSA-N 1 0 312.317 0.618 10 0 DCAERO 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301.456 0.941 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C3OCCO3)C2)C1 ZINC000718972522 685306352 /nfs/dbraw/zinc/30/63/52/685306352.db2.gz DQVIUKWVLULHTJ-STQMWFEESA-N 1 0 318.439 0.353 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@H]1C(F)(F)F ZINC000720809319 685315640 /nfs/dbraw/zinc/31/56/40/685315640.db2.gz GMEUMXUYQIXLNO-VHSXEESVSA-N 1 0 315.361 0.786 10 0 DCAERO Cn1nccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720808561 685315669 /nfs/dbraw/zinc/31/56/69/685315669.db2.gz XDTYQIVBJHCBSZ-SFYZADRCSA-N 1 0 312.317 0.178 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720747500 685314863 /nfs/dbraw/zinc/31/48/63/685314863.db2.gz MEEIIJJBGAAWRY-SECBINFHSA-N 1 0 318.420 0.893 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2CCOC3(CCC3)C2)CCS(=O)(=O)C1 ZINC000720930201 685317249 /nfs/dbraw/zinc/31/72/49/685317249.db2.gz GCVAYUJNUJGSPH-OCCSQVGLSA-N 1 0 303.424 0.881 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000720927346 685317642 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CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236934126 202078910 /nfs/dbraw/zinc/07/89/10/202078910.db2.gz JDMUEQASOGFQEB-RDBSUJKOSA-N 1 0 308.426 0.781 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)NCC[NH+](C)C)C2=O)n(C)n1 ZINC000179219458 199000181 /nfs/dbraw/zinc/00/01/81/199000181.db2.gz LSFUKUNSNFZGAK-GFCCVEGCSA-N 1 0 322.413 0.085 10 0 DCAERO CN(C)C(=O)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180293716 199142668 /nfs/dbraw/zinc/14/26/68/199142668.db2.gz MNIDQVIBIDTMKF-UHFFFAOYSA-N 1 0 304.394 0.893 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)n1 ZINC000171604489 237134890 /nfs/dbraw/zinc/13/48/90/237134890.db2.gz CZYLFKLLKHNTQV-CYBMUJFWSA-N 1 0 315.443 0.286 10 0 DCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]12 ZINC000186910335 200029640 /nfs/dbraw/zinc/02/96/40/200029640.db2.gz RJZXTKDKEKPZIK-CUOATXAZSA-N 1 0 323.343 0.890 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)C[N@@H+]1C1CC1 ZINC000187489516 237351837 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CC[C@H](C)NC(=O)CC[NH2+]C[C@H](O)COCCOC(C)C ZINC000038014392 182964440 /nfs/dbraw/zinc/96/44/40/182964440.db2.gz FTRAECUKMZWDFB-KBPBESRZSA-N 1 0 304.431 0.683 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000104779956 194038636 /nfs/dbraw/zinc/03/86/36/194038636.db2.gz GRZXGRNUVHYYIK-ZDUSSCGKSA-N 1 0 312.458 0.925 10 0 DCAERO CN(C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1)C1CC1 ZINC000105807359 194134211 /nfs/dbraw/zinc/13/42/11/194134211.db2.gz QIBZCDJJRALKTH-UHFFFAOYSA-N 1 0 303.410 0.998 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873785 194153735 /nfs/dbraw/zinc/15/37/35/194153735.db2.gz LMZMUVWVTQCDGN-UWVGGRQHSA-N 1 0 308.386 0.150 10 0 DCAERO C[NH+](C)C[C@H]1CN(CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000105925420 194171018 /nfs/dbraw/zinc/17/10/18/194171018.db2.gz RFHLUYUPOYFFEF-ZDUSSCGKSA-N 1 0 317.389 0.545 10 0 DCAERO CC[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[N@@H+]1CCOC ZINC000106114870 194188217 /nfs/dbraw/zinc/18/82/17/194188217.db2.gz QPXDRCFXXGDHCP-GFCCVEGCSA-N 1 0 323.445 0.062 10 0 DCAERO C[NH+](C)CC(=O)N1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000106382674 194204244 /nfs/dbraw/zinc/20/42/44/194204244.db2.gz AACIJJJBMGLQQU-QGZVFWFLSA-N 1 0 305.422 0.600 10 0 DCAERO CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814101 194289021 /nfs/dbraw/zinc/28/90/21/194289021.db2.gz FLIJCGNJRWBUGW-CYBMUJFWSA-N 1 0 318.377 0.569 10 0 DCAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110648315 194345720 /nfs/dbraw/zinc/34/57/20/194345720.db2.gz SSTSCLDELFDDNR-GRYCIOLGSA-N 1 0 305.444 0.400 10 0 DCAERO C[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000408182698 296316815 /nfs/dbraw/zinc/31/68/15/296316815.db2.gz LQCIQUUVLPKJOW-CHWSQXEVSA-N 1 0 305.444 0.368 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063175316 184276043 /nfs/dbraw/zinc/27/60/43/184276043.db2.gz JIGKYNDNFWTVDW-JGVFFNPUSA-N 1 0 304.393 0.693 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(S(N)(=O)=O)o1 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/nfs/dbraw/zinc/86/54/03/395865403.db2.gz QYYDWDUPUDGHIW-KRWDZBQOSA-N 1 0 319.449 1.000 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000226464400 395865704 /nfs/dbraw/zinc/86/57/04/395865704.db2.gz XWXMMVQDSUHLQE-FRRDWIJNSA-N 1 0 305.444 0.414 10 0 DCAERO CCN(CC)C(=O)CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246129452 395942252 /nfs/dbraw/zinc/94/22/52/395942252.db2.gz CJBDKNAPKJLPAA-KGLIPLIRSA-N 1 0 313.442 0.549 10 0 DCAERO COC(=O)[C@H]1C[C@H](O)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000248894453 395999426 /nfs/dbraw/zinc/99/94/26/395999426.db2.gz JFBGIGHAZGTDAD-LSDHHAIUSA-N 1 0 310.369 0.866 10 0 DCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246260915 395945819 /nfs/dbraw/zinc/94/58/19/395945819.db2.gz OEBHFKQGBKVVKJ-NEPJUHHUSA-N 1 0 308.444 0.176 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000246349549 395947865 /nfs/dbraw/zinc/94/78/65/395947865.db2.gz MITXXFAJXGXEQE-AWEZNQCLSA-N 1 0 308.426 0.925 10 0 DCAERO 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/nfs/dbraw/zinc/97/00/70/395970070.db2.gz SJUZFJQPQJOEBI-CHWSQXEVSA-N 1 0 314.430 0.263 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000150776574 395972880 /nfs/dbraw/zinc/97/28/80/395972880.db2.gz NDIZUHSZMBDONJ-YPMHNXCESA-N 1 0 320.393 0.874 10 0 DCAERO CC[C@H]1CN([C@H](C)C(=O)NCCCOC)CC[N@@H+]1CCOC ZINC000247438610 395973154 /nfs/dbraw/zinc/97/31/54/395973154.db2.gz ZOPFTRATHFRKGX-CABCVRRESA-N 1 0 315.458 0.570 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)C[C@H]1C ZINC000249004094 396000937 /nfs/dbraw/zinc/00/09/37/396000937.db2.gz NQCWKOXQWZDXPO-OLZOCXBDSA-N 1 0 319.409 0.962 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000248046710 395982057 /nfs/dbraw/zinc/98/20/57/395982057.db2.gz VGOFPZWHXKOCLF-CPUCHLNUSA-N 1 0 323.437 0.337 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCOC2)[C@H]1c1ccccc1 ZINC000248139931 395983696 /nfs/dbraw/zinc/98/36/96/395983696.db2.gz YGCGVOBBOJBXHV-UXLLHSPISA-N 1 0 319.405 0.882 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccnc2)C1 ZINC000151299090 395983971 /nfs/dbraw/zinc/98/39/71/395983971.db2.gz WZVYFBKSSNOACE-CYBMUJFWSA-N 1 0 304.394 0.660 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248673112 395993694 /nfs/dbraw/zinc/99/36/94/395993694.db2.gz VPTGOPFNGZISJS-BFHYXJOUSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(NC(N)=O)CC1 ZINC000248727804 395995307 /nfs/dbraw/zinc/99/53/07/395995307.db2.gz CYAZTJXJGXVWPA-TZMCWYRMSA-N 1 0 316.405 0.824 10 0 DCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000261845962 396071975 /nfs/dbraw/zinc/07/19/75/396071975.db2.gz CYZMQJNORNKENJ-HZPDHXFCSA-N 1 0 303.406 0.490 10 0 DCAERO [NH3+][C@H](C(=O)NCCC(=O)NCc1ccccc1)C1CCOCC1 ZINC000261640882 396051485 /nfs/dbraw/zinc/05/14/85/396051485.db2.gz DNCBTMOPGZDSJR-INIZCTEOSA-N 1 0 319.405 0.563 10 0 DCAERO C[NH2+][C@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000261667715 396053915 /nfs/dbraw/zinc/05/39/15/396053915.db2.gz FZADRLGIDAMBEY-LBPRGKRZSA-N 1 0 314.389 0.686 10 0 DCAERO CN(C(=O)CNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261784884 396065827 /nfs/dbraw/zinc/06/58/27/396065827.db2.gz NFCSSZFVNJGEBO-OAHLLOKOSA-N 1 0 311.426 0.648 10 0 DCAERO Cc1cccc(OCCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261814166 396068687 /nfs/dbraw/zinc/06/86/87/396068687.db2.gz ADCHUHMELHJIQW-UHFFFAOYSA-N 1 0 319.405 0.654 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249147171 396003770 /nfs/dbraw/zinc/00/37/70/396003770.db2.gz GOEVNJAMBONFAP-PWSUYJOCSA-N 1 0 305.382 0.362 10 0 DCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249421682 396008103 /nfs/dbraw/zinc/00/81/03/396008103.db2.gz DIIGNRXRGGOXQJ-CKYFFXLPSA-N 1 0 321.343 0.902 10 0 DCAERO Cc1cccc(C(=O)NCCNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261825338 396070539 /nfs/dbraw/zinc/07/05/39/396070539.db2.gz KNPVUCFWPRTPIC-UHFFFAOYSA-N 1 0 305.378 0.349 10 0 DCAERO O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000249828704 396012905 /nfs/dbraw/zinc/01/29/05/396012905.db2.gz MIPMQDVSQLRMLD-WDEREUQCSA-N 1 0 319.327 0.704 10 0 DCAERO C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000250523211 396015151 /nfs/dbraw/zinc/01/51/51/396015151.db2.gz OTASNRLTKJJSTP-SGMGOOAPSA-N 1 0 305.378 0.438 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262003981 396089176 /nfs/dbraw/zinc/08/91/76/396089176.db2.gz BHZZPPUOZODICG-ZFWWWQNUSA-N 1 0 317.389 0.677 10 0 DCAERO CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859585 396099793 /nfs/dbraw/zinc/09/97/93/396099793.db2.gz MZCFKOOZLDJFHP-CYBMUJFWSA-N 1 0 319.405 0.978 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000070187975 396100349 /nfs/dbraw/zinc/10/03/49/396100349.db2.gz NNMUNLJGHCNUKF-RYUDHWBXSA-N 1 0 305.444 0.401 10 0 DCAERO COCC[NH2+]CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000262188940 396108660 /nfs/dbraw/zinc/10/86/60/396108660.db2.gz YDGKUJMHPMHKRX-ZDUSSCGKSA-N 1 0 323.418 0.842 10 0 DCAERO 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WJELYSWLIXDDRG-UHFFFAOYSA-N 1 0 313.317 0.871 10 0 DCAERO C[C@@H]1CN(C(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000261886403 396075836 /nfs/dbraw/zinc/07/58/36/396075836.db2.gz ZBLCWLSXZNKJKY-LZWOXQAQSA-N 1 0 318.421 0.664 10 0 DCAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)N1CCCC[C@@H]1C ZINC000261900615 396077063 /nfs/dbraw/zinc/07/70/63/396077063.db2.gz WMFNXXGFTWGXJC-OBJOEFQTSA-N 1 0 311.426 0.646 10 0 DCAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C(=O)N1CCCC[C@H]1C ZINC000261900611 396077299 /nfs/dbraw/zinc/07/72/99/396077299.db2.gz WMFNXXGFTWGXJC-MBNYWOFBSA-N 1 0 311.426 0.646 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175609199 396140697 /nfs/dbraw/zinc/14/06/97/396140697.db2.gz RXKZYKGABZVTDW-CABCVRRESA-N 1 0 312.458 0.690 10 0 DCAERO [NH3+][C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000261966439 396085174 /nfs/dbraw/zinc/08/51/74/396085174.db2.gz SRTPCMNFJGQVRM-AWEZNQCLSA-N 1 0 305.378 0.985 10 0 DCAERO CCCCn1nccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178881067 396213025 /nfs/dbraw/zinc/21/30/25/396213025.db2.gz MXUBTMYHYJFOIQ-CYBMUJFWSA-N 1 0 319.409 0.928 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262480550 396145167 /nfs/dbraw/zinc/14/51/67/396145167.db2.gz ZOAKFGNGFOLHNF-NEPJUHHUSA-N 1 0 324.812 0.808 10 0 DCAERO CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1 ZINC000176204165 396151420 /nfs/dbraw/zinc/15/14/20/396151420.db2.gz VFYLAGLAMARIBB-UHFFFAOYSA-N 1 0 302.382 0.970 10 0 DCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262563575 396156241 /nfs/dbraw/zinc/15/62/41/396156241.db2.gz XDNRNKVZNSUNRW-FXUDXRNXSA-N 1 0 304.390 0.824 10 0 DCAERO Cn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ccc1=O ZINC000262569290 396156758 /nfs/dbraw/zinc/15/67/58/396156758.db2.gz XGDXDYDJQASUCR-AXAPSJFSSA-N 1 0 305.378 0.856 10 0 DCAERO COC(=O)COc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c(C)c1 ZINC000262568623 396157036 /nfs/dbraw/zinc/15/70/36/396157036.db2.gz YMJNPRUEPNISHB-GWCFXTLKSA-N 1 0 308.334 0.208 10 0 DCAERO COCC[NH2+]CC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262647247 396167501 /nfs/dbraw/zinc/16/75/01/396167501.db2.gz VLOJRNOIVFUFFZ-GFCCVEGCSA-N 1 0 308.382 0.889 10 0 DCAERO COCC[NH2+]CCNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000262663976 396169782 /nfs/dbraw/zinc/16/97/82/396169782.db2.gz NXSSDENUXSDRLO-ZDUSSCGKSA-N 1 0 306.410 0.894 10 0 DCAERO C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000177236821 396170350 /nfs/dbraw/zinc/17/03/50/396170350.db2.gz WTVBZZNRKAWDQL-BBRMVZONSA-N 1 0 303.406 0.938 10 0 DCAERO CNC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000074750770 396171498 /nfs/dbraw/zinc/17/14/98/396171498.db2.gz KFEWZLYTXZVLMJ-ZDUSSCGKSA-N 1 0 319.409 0.385 10 0 DCAERO COC(=O)C[C@@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262753316 396178437 /nfs/dbraw/zinc/17/84/37/396178437.db2.gz KQENFCWRHJFMAV-STQMWFEESA-N 1 0 320.393 0.975 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000262836305 396186418 /nfs/dbraw/zinc/18/64/18/396186418.db2.gz QUXDUCQWECEWML-FVCCEPFGSA-N 1 0 307.394 0.276 10 0 DCAERO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178284461 396192680 /nfs/dbraw/zinc/19/26/80/396192680.db2.gz ZDHOJLGHFMNOTO-CYBMUJFWSA-N 1 0 303.362 0.931 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000178284358 396192755 /nfs/dbraw/zinc/19/27/55/396192755.db2.gz HUGWSTDFBUMCMB-CYBMUJFWSA-N 1 0 317.393 0.254 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CC(=O)Nc2ccccc21 ZINC000178627085 396201865 /nfs/dbraw/zinc/20/18/65/396201865.db2.gz JVQNWAYXORWQFG-CYBMUJFWSA-N 1 0 314.389 0.752 10 0 DCAERO CCOC(=O)COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263298495 396212573 /nfs/dbraw/zinc/21/25/73/396212573.db2.gz WRPIKFQPUIJNFT-ZFWWWQNUSA-N 1 0 308.378 0.298 10 0 DCAERO CNC(=O)[C@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000181658096 396240561 /nfs/dbraw/zinc/24/05/61/396240561.db2.gz PQJRCTDWBZOXEZ-CHWSQXEVSA-N 1 0 314.430 0.119 10 0 DCAERO COCC[N@H+](C)CCNC(=O)c1cnc2c(cnn2C)c1OC ZINC000182341894 396249477 /nfs/dbraw/zinc/24/94/77/396249477.db2.gz RNJPMMWEINNRBE-UHFFFAOYSA-N 1 0 321.381 0.285 10 0 DCAERO C[NH+](C)C1(CNC(=O)NCCCn2ccnn2)CCOCC1 ZINC000182729610 396253205 /nfs/dbraw/zinc/25/32/05/396253205.db2.gz BBUDEUAEVDFIPO-UHFFFAOYSA-N 1 0 310.402 0.078 10 0 DCAERO C[C@H](C[S@@](C)=O)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182765356 396254172 /nfs/dbraw/zinc/25/41/72/396254172.db2.gz QAGRFIQXCIIXHL-VERVWZFWSA-N 1 0 324.450 0.330 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1nccn(C)c1=O ZINC000183861661 396276483 /nfs/dbraw/zinc/27/64/83/396276483.db2.gz KWABNTYXAMUXRB-NSHDSACASA-N 1 0 309.370 0.013 10 0 DCAERO COc1ccc(-c2noc(CN3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171861 396223475 /nfs/dbraw/zinc/22/34/75/396223475.db2.gz SLKMKSRGMDQKLC-VXGBXAGGSA-N 1 0 305.334 0.673 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC000179395225 396226688 /nfs/dbraw/zinc/22/66/88/396226688.db2.gz ZDGBHULLXWIBBU-CQSZACIVSA-N 1 0 313.442 0.550 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000179416045 396226753 /nfs/dbraw/zinc/22/67/53/396226753.db2.gz VEVKIPMGXWEGSV-CQSZACIVSA-N 1 0 313.442 0.454 10 0 DCAERO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180108846 396231018 /nfs/dbraw/zinc/23/10/18/396231018.db2.gz GDPRKDORWJBTFY-TZMCWYRMSA-N 1 0 311.407 0.097 10 0 DCAERO Cn1nnc2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc21 ZINC000185013177 396314388 /nfs/dbraw/zinc/31/43/88/396314388.db2.gz JVZTYLPVEMRZIQ-UHFFFAOYSA-N 1 0 317.393 0.811 10 0 DCAERO CNC(=O)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185141761 396319286 /nfs/dbraw/zinc/31/92/86/396319286.db2.gz GYPLEZXOKNKZMV-HNNXBMFYSA-N 1 0 303.406 0.803 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nc2ccccn2n1 ZINC000184323691 396290993 /nfs/dbraw/zinc/29/09/93/396290993.db2.gz QQLJOQLMHJEUAO-GFCCVEGCSA-N 1 0 318.381 0.962 10 0 DCAERO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184718147 396302103 /nfs/dbraw/zinc/30/21/03/396302103.db2.gz NWAKWKFAKAWZBK-CHWSQXEVSA-N 1 0 308.378 0.841 10 0 DCAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCCCN1CCCC1=O ZINC000185338822 396325278 /nfs/dbraw/zinc/32/52/78/396325278.db2.gz RSHRAECWRAIKON-AWEZNQCLSA-N 1 0 313.442 0.454 10 0 DCAERO Cn1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000185519076 396329385 /nfs/dbraw/zinc/32/93/85/396329385.db2.gz XLVNSECXWCBMFE-SECBINFHSA-N 1 0 300.309 0.942 10 0 DCAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000185925640 396336872 /nfs/dbraw/zinc/33/68/72/396336872.db2.gz OYAIXYMPZPEIBA-CHWSQXEVSA-N 1 0 319.796 0.933 10 0 DCAERO C[NH+](C)CCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185796360 396335330 /nfs/dbraw/zinc/33/53/30/396335330.db2.gz MRGXQLSEKPOOBP-UHFFFAOYSA-N 1 0 308.386 0.400 10 0 DCAERO CCN(C)C(=O)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000186192593 396343782 /nfs/dbraw/zinc/34/37/82/396343782.db2.gz BWABZKUKASHHGY-UHFFFAOYSA-N 1 0 310.442 0.982 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000187490239 396370392 /nfs/dbraw/zinc/37/03/92/396370392.db2.gz JBCABFKTCILHLS-CMPLNLGQSA-N 1 0 306.410 0.532 10 0 DCAERO CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000187586332 396371526 /nfs/dbraw/zinc/37/15/26/396371526.db2.gz RWCDKIAOKDOKFX-XJKSGUPXSA-N 1 0 311.426 0.195 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)O1 ZINC000186488969 396350537 /nfs/dbraw/zinc/35/05/37/396350537.db2.gz WKRBPDDWBVXUGN-UONOGXRCSA-N 1 0 305.378 0.511 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CCO1 ZINC000188514213 396382866 /nfs/dbraw/zinc/38/28/66/396382866.db2.gz VKOAYMJOSRDDHP-CYBMUJFWSA-N 1 0 303.362 0.584 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]3CCC2CC3)o1 ZINC000188607007 396383654 /nfs/dbraw/zinc/38/36/54/396383654.db2.gz KCIFRKZXUJLLEE-UHFFFAOYSA-N 1 0 313.379 0.108 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2([C@@H](O)c3ccccc3)CC2)C1 ZINC000189305461 396393545 /nfs/dbraw/zinc/39/35/45/396393545.db2.gz UFSHFZVLVIQYAL-ZNMIVQPWSA-N 1 0 304.390 0.993 10 0 DCAERO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC1CC(O)C1 ZINC000190227508 396403592 /nfs/dbraw/zinc/40/35/92/396403592.db2.gz LPVIUQUUGZTHSS-UEJVZZJDSA-N 1 0 311.304 0.466 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000190677682 396410263 /nfs/dbraw/zinc/41/02/63/396410263.db2.gz BJZJBGBVOSKQDL-QWHCGFSZSA-N 1 0 301.431 0.898 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[C@H](O)C3)ccn2)CC1 ZINC000191155157 396415783 /nfs/dbraw/zinc/41/57/83/396415783.db2.gz OLYDOZPXOPYVLL-ZFWWWQNUSA-N 1 0 318.421 0.724 10 0 DCAERO C[C@@H]1C(=O)NCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000191246334 396417345 /nfs/dbraw/zinc/41/73/45/396417345.db2.gz AHBFUVQDLKZHFY-CYBMUJFWSA-N 1 0 312.414 0.019 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000191835793 396425321 /nfs/dbraw/zinc/42/53/21/396425321.db2.gz SFZKUHWRTWHOEC-HNNXBMFYSA-N 1 0 322.453 0.141 10 0 DCAERO Cc1cc(N2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)n2ncnc2n1 ZINC000192107276 396429942 /nfs/dbraw/zinc/42/99/42/396429942.db2.gz DRULKCWWXFAPMZ-NEPJUHHUSA-N 1 0 317.397 0.065 10 0 DCAERO NC(=O)CC[C@H]([NH3+])C(=O)N1CCC(COc2ccccc2)CC1 ZINC000193218903 396446491 /nfs/dbraw/zinc/44/64/91/396446491.db2.gz CZAAMZRTCOUOLS-HNNXBMFYSA-N 1 0 319.405 0.897 10 0 DCAERO COc1ccc(F)cc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000187894624 396375803 /nfs/dbraw/zinc/37/58/03/396375803.db2.gz SJDVGUBPQSFQLY-HNNXBMFYSA-N 1 0 313.373 0.946 10 0 DCAERO Cc1nc(CN2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cs1 ZINC000188182051 396379810 /nfs/dbraw/zinc/37/98/10/396379810.db2.gz WNXVXERLTWYCPQ-WCQYABFASA-N 1 0 312.414 0.796 10 0 DCAERO CC(C)c1n[nH]cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000193402003 396450287 /nfs/dbraw/zinc/45/02/87/396450287.db2.gz YXEQBJFABQBWSA-UHFFFAOYSA-N 1 0 307.398 0.379 10 0 DCAERO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)n1 ZINC000372395612 396514356 /nfs/dbraw/zinc/51/43/56/396514356.db2.gz BIOGCLHGFHAJIA-MCIONIFRSA-N 1 0 320.393 0.887 10 0 DCAERO CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000371647321 396473227 /nfs/dbraw/zinc/47/32/27/396473227.db2.gz RPIWSVXAWZRSTA-NEPJUHHUSA-N 1 0 315.439 0.087 10 0 DCAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn2cccnc2n1 ZINC000530999808 396586827 /nfs/dbraw/zinc/58/68/27/396586827.db2.gz LROAHLQKVGGKLN-LBPRGKRZSA-N 1 0 305.382 0.816 10 0 DCAERO C[C@@H](CN1CCOCC1)N(C)C(=O)c1cn2cccnc2n1 ZINC000581877429 396588437 /nfs/dbraw/zinc/58/84/37/396588437.db2.gz MDQOXNYWJUUMKQ-LBPRGKRZSA-N 1 0 303.366 0.522 10 0 DCAERO C[C@H]([N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)O ZINC000295216920 396686176 /nfs/dbraw/zinc/68/61/76/396686176.db2.gz VHHOYPQAWZNJKF-RYUDHWBXSA-N 1 0 320.389 0.735 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cccc(Cl)c1 ZINC000311596825 396761622 /nfs/dbraw/zinc/76/16/22/396761622.db2.gz HQZLYDADLKJXID-LBPRGKRZSA-N 1 0 304.799 0.748 10 0 DCAERO 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/nfs/dbraw/zinc/29/70/91/397297091.db2.gz TUGMQYDJVRGHCH-SDDRHHMPSA-N 1 0 308.469 0.568 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000613735491 397310217 /nfs/dbraw/zinc/31/02/17/397310217.db2.gz KXTCVALYOPMWQN-UHFFFAOYSA-N 1 0 311.382 0.618 10 0 DCAERO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000574306021 397256064 /nfs/dbraw/zinc/25/60/64/397256064.db2.gz PDDJVTKMYKZRPX-XHDPSFHLSA-N 1 0 308.382 0.061 10 0 DCAERO CC(=O)NC(C)(C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000593272494 397346327 /nfs/dbraw/zinc/34/63/27/397346327.db2.gz NCYNBPVEZLDBPW-HNNXBMFYSA-N 1 0 324.469 0.530 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408065027 397346365 /nfs/dbraw/zinc/34/63/65/397346365.db2.gz XHCKOWIQKZAKGZ-BARDWOONSA-N 1 0 323.437 0.742 10 0 DCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)O1 ZINC000408130911 397348078 /nfs/dbraw/zinc/34/80/78/397348078.db2.gz CSLPMJLFTWFVAP-ZIAGYGMSSA-N 1 0 312.410 0.240 10 0 DCAERO 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CC[N@@H+]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1 ZINC000101694857 158126669 /nfs/dbraw/zinc/12/66/69/158126669.db2.gz UCSQMEILRVUHIZ-UHFFFAOYSA-N 1 0 316.409 0.838 10 0 DCAERO CN(C(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000105804152 158130971 /nfs/dbraw/zinc/13/09/71/158130971.db2.gz IFAZJEOVWSKMRN-AWEZNQCLSA-N 1 0 303.410 0.998 10 0 DCAERO NC(=O)NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307429 158139986 /nfs/dbraw/zinc/13/99/86/158139986.db2.gz INRYDUXGCTZFDO-UHFFFAOYSA-N 1 0 316.405 0.956 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C)COC2)CC1=O ZINC000112729110 158143686 /nfs/dbraw/zinc/14/36/86/158143686.db2.gz AXFPSWZUMWCJSG-KGLIPLIRSA-N 1 0 323.437 0.472 10 0 DCAERO COCCN1C[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1=O ZINC000113228816 158144797 /nfs/dbraw/zinc/14/47/97/158144797.db2.gz NYZJIIYFZIYDHN-MGPQQGTHSA-N 1 0 309.410 0.176 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1nnnn1C1CC1 ZINC000113222960 158145535 /nfs/dbraw/zinc/14/55/35/158145535.db2.gz 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/nfs/dbraw/zinc/17/88/86/158178886.db2.gz JDHGQNDVIXKNCD-UHFFFAOYSA-N 1 0 324.425 0.555 10 0 DCAERO CCn1cc(C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000120919985 158205133 /nfs/dbraw/zinc/20/51/33/158205133.db2.gz XNRRWHNOIOQGPC-UHFFFAOYSA-N 1 0 319.453 0.856 10 0 DCAERO COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1C ZINC000121028927 158206740 /nfs/dbraw/zinc/20/67/40/158206740.db2.gz AXIJVVOTTRWWJR-NEPJUHHUSA-N 1 0 321.377 0.573 10 0 DCAERO CC(C)NS(=O)(=O)[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000121670866 158213090 /nfs/dbraw/zinc/21/30/90/158213090.db2.gz NZDJYYWFOFECQK-IUCAKERBSA-N 1 0 304.334 0.312 10 0 DCAERO COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000124560284 158244024 /nfs/dbraw/zinc/24/40/24/158244024.db2.gz JJFSVCZJSSRPHA-GUTXKFCHSA-N 1 0 313.442 0.715 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1F ZINC000124828996 158247503 /nfs/dbraw/zinc/24/75/03/158247503.db2.gz UIYKFSKKPSUWKR-UHFFFAOYSA-N 1 0 313.760 0.983 10 0 DCAERO CN1CCO[C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000125030178 158250939 /nfs/dbraw/zinc/25/09/39/158250939.db2.gz UHLVEVGNHOHKDE-OAHLLOKOSA-N 1 0 312.458 0.833 10 0 DCAERO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH2+]C[C@H]1C)C2=O ZINC000125380232 158255475 /nfs/dbraw/zinc/25/54/75/158255475.db2.gz VLXHBRURABJPJZ-BWBHSNQOSA-N 1 0 322.409 0.307 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[NH2+]C1 ZINC000127739635 158275560 /nfs/dbraw/zinc/27/55/60/158275560.db2.gz OBCHEDJYLXHPIG-JTQLQIEISA-N 1 0 302.783 0.592 10 0 DCAERO Cc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1C(N)=O ZINC000133752968 158321982 /nfs/dbraw/zinc/32/19/82/158321982.db2.gz QZZOCDDWVUEGBU-AWEZNQCLSA-N 1 0 311.407 0.500 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000133768084 158322099 /nfs/dbraw/zinc/32/20/99/158322099.db2.gz LMKVOLBNGQJMGE-CQSZACIVSA-N 1 0 312.391 0.879 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171641943 158385909 /nfs/dbraw/zinc/38/59/09/158385909.db2.gz 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Cc1cc(N2CC[C@H](N3CCC[C@H]([NH+](C)C)C3)C2=O)n(C)n1 ZINC000173627989 416061943 /nfs/dbraw/zinc/06/19/43/416061943.db2.gz ZEPUFWIKDUXSBM-KBPBESRZSA-N 1 0 305.426 0.860 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000159151228 416007369 /nfs/dbraw/zinc/00/73/69/416007369.db2.gz OOJOTZFLTAJZNY-ZDUSSCGKSA-N 1 0 307.398 0.629 10 0 DCAERO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000163868922 416016809 /nfs/dbraw/zinc/01/68/09/416016809.db2.gz GWGLHKQAGIMMJZ-RDJZCZTQSA-N 1 0 321.396 0.878 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000170990508 416035669 /nfs/dbraw/zinc/03/56/69/416035669.db2.gz JHSSWFBCSXMFRH-STQMWFEESA-N 1 0 306.428 0.196 10 0 DCAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCOC1 ZINC000171612173 416040339 /nfs/dbraw/zinc/04/03/39/416040339.db2.gz KVJDTRFVCYMSCZ-AWEZNQCLSA-N 1 0 312.458 0.833 10 0 DCAERO O=c1[nH]ncc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1Cl ZINC000301720530 416089623 /nfs/dbraw/zinc/08/96/23/416089623.db2.gz 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/nfs/dbraw/zinc/27/11/48/416271148.db2.gz NDPCNNMQENUWHF-QGZVFWFLSA-N 1 0 321.421 0.994 10 0 DCAERO O=C(NCCCn1cccn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192803858 416311470 /nfs/dbraw/zinc/31/14/70/416311470.db2.gz NTRVSWNTARFCKL-AWEZNQCLSA-N 1 0 309.414 0.419 10 0 DCAERO CN(C)c1noc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000192765208 416311681 /nfs/dbraw/zinc/31/16/81/416311681.db2.gz IHTFDQFTEBKPEL-AWEZNQCLSA-N 1 0 322.457 0.738 10 0 DCAERO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000193813385 416320368 /nfs/dbraw/zinc/32/03/68/416320368.db2.gz VBDBJMGPHSWLOH-CQSZACIVSA-N 1 0 313.442 0.716 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)CCOC)CC1 ZINC000358862571 416287371 /nfs/dbraw/zinc/28/73/71/416287371.db2.gz APSJVMYCPBMDBZ-ZDUSSCGKSA-N 1 0 313.442 0.766 10 0 DCAERO O=C(NCCCN1CCCC1=O)N1CC[NH+](CC2CC2)CC1 ZINC000194142914 416321825 /nfs/dbraw/zinc/32/18/25/416321825.db2.gz GBIQXHOYNNNOCW-UHFFFAOYSA-N 1 0 308.426 0.736 10 0 DCAERO 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/nfs/dbraw/zinc/35/20/66/416352066.db2.gz NBROYFKELMQSEA-KBMXLJTQSA-N 1 0 309.454 0.896 10 0 DCAERO [NH3+][C@@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000237987074 416329575 /nfs/dbraw/zinc/32/95/75/416329575.db2.gz IJNOYUKSJPRQLD-LBPRGKRZSA-N 1 0 316.810 0.967 10 0 DCAERO C[NH+]1CCC(O)(CNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360487780 416392448 /nfs/dbraw/zinc/39/24/48/416392448.db2.gz ADQPMZXKRVYJEB-UHFFFAOYSA-N 1 0 317.393 0.819 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000533126396 416477077 /nfs/dbraw/zinc/47/70/77/416477077.db2.gz ACMDQNVTXKTORI-GFCCVEGCSA-N 1 0 319.471 0.841 10 0 DCAERO Cc1noc(COCC(=O)N2C[C@@H]([NH3+])CC[C@@H]2C(F)(F)F)n1 ZINC000583619793 416480300 /nfs/dbraw/zinc/48/03/00/416480300.db2.gz IETFJMQUWPFXJW-DTWKUNHWSA-N 1 0 322.287 0.775 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000436288755 416553231 /nfs/dbraw/zinc/55/32/31/416553231.db2.gz FXBOXXNYYHAHHA-CZUORRHYSA-N 1 0 307.394 0.200 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)[NH+](C)C ZINC000459049136 416519996 /nfs/dbraw/zinc/51/99/96/416519996.db2.gz YQFRBMOFLXZJJV-MJBXVCDLSA-N 1 0 313.442 0.803 10 0 DCAERO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)[nH]1 ZINC000540866382 416594885 /nfs/dbraw/zinc/59/48/85/416594885.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 0 324.425 0.849 10 0 DCAERO C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1[NH3+] ZINC000423942768 416597668 /nfs/dbraw/zinc/59/76/68/416597668.db2.gz FTVRGCUGPPABLL-WPRPVWTQSA-N 1 0 314.183 0.416 10 0 DCAERO CS(=O)(=O)NCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000365072785 416599070 /nfs/dbraw/zinc/59/90/70/416599070.db2.gz RTYFLUZWOLDPLT-OAHLLOKOSA-N 1 0 312.435 0.605 10 0 DCAERO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CCCO ZINC000440935457 416653652 /nfs/dbraw/zinc/65/36/52/416653652.db2.gz AIBCURWRTKUTDS-KBPBESRZSA-N 1 0 322.405 0.988 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(C(N)=O)nc2)CC1 ZINC000545169769 416664192 /nfs/dbraw/zinc/66/41/92/416664192.db2.gz 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ZINC000534528588 287817231 /nfs/dbraw/zinc/81/72/31/287817231.db2.gz PSNMXQXXNUFUCB-UHFFFAOYSA-N 1 0 302.382 0.765 10 0 DCAERO C[C@H](C(=O)N(C)CCC[NH+](C)C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000537215479 287864428 /nfs/dbraw/zinc/86/44/28/287864428.db2.gz HNDZVOTZAIJLQO-MCIONIFRSA-N 1 0 323.437 0.960 10 0 DCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000262787502 276356442 /nfs/dbraw/zinc/35/64/42/276356442.db2.gz MYCJHYSBQAGBAV-LGSVPQMISA-N 1 0 311.426 0.679 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173899406 276375247 /nfs/dbraw/zinc/37/52/47/276375247.db2.gz OHCVAFVPJNWRRK-GJZGRUSLSA-N 1 0 310.442 0.587 10 0 DCAERO CC(=O)N1c2ccc(S(=O)(=O)NCCC[NH3+])cc2C[C@@H]1C ZINC000237579019 277021631 /nfs/dbraw/zinc/02/16/31/277021631.db2.gz CLROGNOQKKYBGX-JTQLQIEISA-N 1 0 311.407 0.611 10 0 DCAERO CN1CCC[N@H+](C[C@@H]2CN(c3ncccn3)C[C@@H]2CO)CC1 ZINC000092077090 277051780 /nfs/dbraw/zinc/05/17/80/277051780.db2.gz DMYSTWPMADXYDG-HUUCEWRRSA-N 1 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CC1(C)NC(=O)N(CCC[NH+]2CCC(n3cncn3)CC2)C1=O ZINC000156555231 520600997 /nfs/dbraw/zinc/60/09/97/520600997.db2.gz DBIRYGQGMDITKM-UHFFFAOYSA-N 1 0 320.397 0.636 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CCOC)[C@H](C)C2)C1 ZINC000117483652 521644160 /nfs/dbraw/zinc/64/41/60/521644160.db2.gz RBQVQMVXQQUJGA-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)CC)[C@@H](C)C1 ZINC000245634215 521718123 /nfs/dbraw/zinc/71/81/23/521718123.db2.gz IXPWSZFVQQFYHN-RYUDHWBXSA-N 1 0 305.444 0.114 10 0 DCAERO CNC(=O)c1cccc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000364932434 521861003 /nfs/dbraw/zinc/86/10/03/521861003.db2.gz FBTCDAAOIUHEGW-CYBMUJFWSA-N 1 0 319.405 0.575 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000132350178 522561629 /nfs/dbraw/zinc/56/16/29/522561629.db2.gz CRMWQYRFLLNJEL-AAEUAGOBSA-N 1 0 319.409 0.822 10 0 DCAERO C[N@H+](CCNC(=O)CNC(=O)c1cccnc1)C1CCCC1 ZINC000163914292 522847636 /nfs/dbraw/zinc/84/76/36/522847636.db2.gz 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/nfs/dbraw/zinc/27/26/63/529272663.db2.gz GKJIVCAXDOXFBY-KGLIPLIRSA-N 1 0 301.431 0.898 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000120588311 535451100 /nfs/dbraw/zinc/45/11/00/535451100.db2.gz CDXYGHGQMDXXOT-UHFFFAOYSA-N 1 0 306.410 0.976 10 0 DCAERO C[N@H+](CCC1CCOCC1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000120389058 536326254 /nfs/dbraw/zinc/32/62/54/536326254.db2.gz GAMYATLTJHCTEU-CQSZACIVSA-N 1 0 311.426 0.459 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)cc4n[nH]nc43)[C@H]2C1 ZINC000284928611 536479558 /nfs/dbraw/zinc/47/95/58/536479558.db2.gz IXYYKOVLHFEOKM-QWHCGFSZSA-N 1 0 319.340 0.642 10 0 DCAERO COC(=O)c1cc(C)cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000457564571 536881131 /nfs/dbraw/zinc/88/11/31/536881131.db2.gz SPAQMZOKTSAZET-OAHLLOKOSA-N 1 0 319.405 0.757 10 0 DCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000092951880 545724476 /nfs/dbraw/zinc/72/44/76/545724476.db2.gz JGONNJANSWPSDE-OUJBWJOFSA-N 1 0 311.407 0.509 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000094646849 545727896 /nfs/dbraw/zinc/72/78/96/545727896.db2.gz TWNNRFQLHZPDLF-MFKMUULPSA-N 1 0 311.407 0.338 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccccc1OC)C(C)C ZINC000183668435 545908533 /nfs/dbraw/zinc/90/85/33/545908533.db2.gz BSKXNRSQGKDDSR-OAHLLOKOSA-N 1 0 307.394 0.672 10 0 DCAERO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189170990 545920907 /nfs/dbraw/zinc/92/09/07/545920907.db2.gz RGAJLCRFSDGFMY-UHFFFAOYSA-N 1 0 317.393 0.978 10 0 DCAERO CC(C)NC(=O)Nc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262094580 545978262 /nfs/dbraw/zinc/97/82/62/545978262.db2.gz DHAHNRVNPZKDRN-GXTWGEPZSA-N 1 0 320.393 0.527 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Oc2cnccn2)c1 ZINC000262099960 545979386 /nfs/dbraw/zinc/97/93/86/545979386.db2.gz DPKWISPKLBLIGL-TZMCWYRMSA-N 1 0 314.345 0.579 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H](c1ccccc1)n1cccn1 ZINC000262144256 545979508 /nfs/dbraw/zinc/97/95/08/545979508.db2.gz HISUWZJFVNKSEN-SOUVJXGZSA-N 1 0 300.362 0.169 10 0 DCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)c(OC(F)F)c1 ZINC000262102473 545979566 /nfs/dbraw/zinc/97/95/66/545979566.db2.gz IZIQPGLHXLRAIT-CMPLNLGQSA-N 1 0 302.321 0.967 10 0 DCAERO O=C(Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1)NC1CC1 ZINC000262227461 545981239 /nfs/dbraw/zinc/98/12/39/545981239.db2.gz JZKBCVBMDDJHPX-RISCZKNCSA-N 1 0 318.377 0.281 10 0 DCAERO O=C(COc1ccc(F)c(Cl)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262215540 545981272 /nfs/dbraw/zinc/98/12/72/545981272.db2.gz JDDNAEZJEYWIBG-PRHODGIISA-N 1 0 302.733 0.554 10 0 DCAERO CCCc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)[nH]c(C)c1C(C)=O ZINC000262248612 545981911 /nfs/dbraw/zinc/98/19/11/545981911.db2.gz LJOQWNCJLZAFJZ-WCQYABFASA-N 1 0 307.394 0.788 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cnn1-c1ccccc1F ZINC000262268071 545981983 /nfs/dbraw/zinc/98/19/83/545981983.db2.gz MSMSVHCTMNTOKT-XHDPSFHLSA-N 1 0 318.352 0.630 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262280215 545982968 /nfs/dbraw/zinc/98/29/68/545982968.db2.gz NTWATFHWGFQLBW-YGRLFVJLSA-N 1 0 320.780 0.836 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000262326326 545983696 /nfs/dbraw/zinc/98/36/96/545983696.db2.gz RUVMMRJZVXXTJX-HTRCEHHLSA-N 1 0 305.256 0.116 10 0 DCAERO O=C(Cc1csc(-c2ccoc2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262330275 545983920 /nfs/dbraw/zinc/98/39/20/545983920.db2.gz SDYIMTSSKYWFOD-PWSUYJOCSA-N 1 0 307.375 0.642 10 0 DCAERO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262360570 545984505 /nfs/dbraw/zinc/98/45/05/545984505.db2.gz VDWHIJXXJRXPKE-FZMZJTMJSA-N 1 0 316.361 0.395 10 0 DCAERO Cc1nnc2n1C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000332884106 546064223 /nfs/dbraw/zinc/06/42/23/546064223.db2.gz IKUISVBSOPEQJX-CHWSQXEVSA-N 1 0 306.414 0.494 10 0 DCAERO CN(C(=O)NC[C@@H]1SCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333410242 546081044 /nfs/dbraw/zinc/08/10/44/546081044.db2.gz RDUVOHCHRJCWND-KKUMJFAQSA-N 1 0 321.446 0.991 10 0 DCAERO O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333441051 546081667 /nfs/dbraw/zinc/08/16/67/546081667.db2.gz WBKONOFRFXRJJX-CQSZACIVSA-N 1 0 316.405 0.649 10 0 DCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333563474 546084614 /nfs/dbraw/zinc/08/46/14/546084614.db2.gz LHRSUFMWSOAQKN-ZRJCITRHSA-N 1 0 307.398 0.690 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333802826 546093071 /nfs/dbraw/zinc/09/30/71/546093071.db2.gz IBSPFZZDVBVQOA-NUEKZKHPSA-N 1 0 324.469 0.879 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)C1 ZINC000334132454 546097734 /nfs/dbraw/zinc/09/77/34/546097734.db2.gz VMOODWYYHDTSNY-UPJWGTAASA-N 1 0 322.413 0.679 10 0 DCAERO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000710135782 667445955 /nfs/dbraw/zinc/44/59/55/667445955.db2.gz SNFBOLICKODCOM-YPMLDQLKSA-N 1 0 311.473 0.798 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2c[nH]c3nccnc23)C[C@@H]1n1ccnn1 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ZINC000702397763 666944678 /nfs/dbraw/zinc/94/46/78/666944678.db2.gz WZPGCZSLSWZSIF-RISCZKNCSA-N 1 0 300.424 0.711 10 0 DCAERO O=C(CCCn1ccccc1=O)NCCNc1cc[nH+]cc1 ZINC000735114771 666955168 /nfs/dbraw/zinc/95/51/68/666955168.db2.gz OASAEKBNVHVUKK-UHFFFAOYSA-N 1 0 300.362 0.674 10 0 DCAERO CN(CCS(C)(=O)=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119127952 667087536 /nfs/dbraw/zinc/08/75/36/667087536.db2.gz HDOURIMRRKWLRU-UHFFFAOYSA-N 1 0 319.471 0.793 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000355325933 667115556 /nfs/dbraw/zinc/11/55/56/667115556.db2.gz VZCAMMKTSIPHCL-CYBMUJFWSA-N 1 0 301.456 0.954 10 0 DCAERO C[NH2+]CCOCCNC(=O)c1cnn(C)c1Br ZINC000705979005 667397403 /nfs/dbraw/zinc/39/74/03/667397403.db2.gz HWVNYAGRPFLYSQ-UHFFFAOYSA-N 1 0 305.176 0.148 10 0 DCAERO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000710135778 667445902 /nfs/dbraw/zinc/44/59/02/667445902.db2.gz SNFBOLICKODCOM-XTZNXHDOSA-N 1 0 311.473 0.798 10 0 DCAERO 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672109615 /nfs/dbraw/zinc/10/96/15/672109615.db2.gz ODFJGSLEJDUFKF-UTLUCORTSA-N 1 0 302.362 0.879 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000718092185 685304327 /nfs/dbraw/zinc/30/43/27/685304327.db2.gz SBIAVFMCHXZAKN-MCIGGMRASA-N 1 0 303.428 0.044 10 0 DCAERO C[C@H](COCc1ccccc1)CN1CCOC[C@]1(C[NH3+])CO ZINC000719410292 685310356 /nfs/dbraw/zinc/31/03/56/685310356.db2.gz IGCGJZVZIJGELD-RDJZCZTQSA-N 1 0 308.422 0.861 10 0 DCAERO COC(=O)c1cn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000246252027 685163178 /nfs/dbraw/zinc/16/31/78/685163178.db2.gz FMUUDCQSFAYPHW-WFASDCNBSA-N 1 0 319.409 0.971 10 0 DCAERO CO[C@H]1CCN(S(=O)(=O)c2ccccc2F)[C@@H](C[NH3+])C1 ZINC000226417019 1157564139 /nfs/dbraw/zinc/56/41/39/1157564139.db2.gz ALIIVAAVUDYQND-MNOVXSKESA-N 1 0 302.371 0.953 10 0 DCAERO COCCn1nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1=O ZINC000127845561 1177325831 /nfs/dbraw/zinc/32/58/31/1177325831.db2.gz BIZCFTBUPCTNEI-OLZOCXBDSA-N 1 0 322.409 0.444 10 0 DCAERO COCCn1nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1=O ZINC000127845111 1177326081 /nfs/dbraw/zinc/32/60/81/1177326081.db2.gz BIZCFTBUPCTNEI-CHWSQXEVSA-N 1 0 322.409 0.444 10 0 DCAERO NS(=O)(=O)CCC[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC000176381851 1184166582 /nfs/dbraw/zinc/16/65/82/1184166582.db2.gz VHWYVAKIRQYADU-UHFFFAOYSA-N 1 0 303.428 0.094 10 0 DCAERO Cc1cc(=O)n2nc(CN3CCC([NH+](C)C)CC3)sc2n1 ZINC000193812775 1188094153 /nfs/dbraw/zinc/09/41/53/1188094153.db2.gz FLUPRDDBEALFIQ-UHFFFAOYSA-N 1 0 307.423 0.985 10 0 DCAERO O=C(/C=C\c1cncc(O)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000588410140 747251859 /nfs/dbraw/zinc/25/18/59/747251859.db2.gz ZWCVBTGZTBSLOZ-XVWMLYKFSA-N 1 0 305.378 0.763 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000186314890 759656719 /nfs/dbraw/zinc/65/67/19/759656719.db2.gz DIXJKLLSKQFVCX-GFCCVEGCSA-N 1 0 310.398 0.261 10 0 DCAERO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCNC2=O)c2cccs2)CCO1 ZINC000246187117 771530836 /nfs/dbraw/zinc/53/08/36/771530836.db2.gz 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O=C(C[NH+]1CCC(Cn2cccn2)CC1)NC[C@H]1CCCO1 ZINC000090473352 185298445 /nfs/dbraw/zinc/29/84/45/185298445.db2.gz QFUSDPAXBOGHLO-OAHLLOKOSA-N 1 0 306.410 0.890 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCC3(CCO)CC3)ccn2)CC1 ZINC000188049713 529776470 /nfs/dbraw/zinc/77/64/70/529776470.db2.gz XFZGZFFZGIWKHM-UHFFFAOYSA-N 1 0 318.421 0.726 10 0 DCAERO NC(=O)c1cccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171906715 198005762 /nfs/dbraw/zinc/00/57/62/198005762.db2.gz UUOBICFVWYUYHJ-OAHLLOKOSA-N 1 0 316.405 0.818 10 0 DCAERO CN(C)C(=O)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172077150 198035986 /nfs/dbraw/zinc/03/59/86/198035986.db2.gz KJNVRIOWJQOCQQ-UHFFFAOYSA-N 1 0 310.373 0.775 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000172291431 198071748 /nfs/dbraw/zinc/07/17/48/198071748.db2.gz IJJCQVCBXYDBDO-ZDUSSCGKSA-N 1 0 303.362 0.940 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172529116 198110837 /nfs/dbraw/zinc/11/08/37/198110837.db2.gz 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199044206 /nfs/dbraw/zinc/04/42/06/199044206.db2.gz DMYBZADKRVMYOM-CABCVRRESA-N 1 0 319.405 0.740 10 0 DCAERO O=C(NC[C@H](O)c1ccc(F)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188358852 200233050 /nfs/dbraw/zinc/23/30/50/200233050.db2.gz AHHLZHUNLWLCMS-ZDUSSCGKSA-N 1 0 304.325 0.658 10 0 DCAERO CCC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)[NH+](C)C ZINC000153921916 291209097 /nfs/dbraw/zinc/20/90/97/291209097.db2.gz XLRONSMCIQUUMJ-RWMBFGLXSA-N 1 0 319.471 0.551 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCOCCOC ZINC000155356859 291219127 /nfs/dbraw/zinc/21/91/27/291219127.db2.gz MAXYMFGBICFINI-ZDUSSCGKSA-N 1 0 308.444 0.395 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000156279616 291224273 /nfs/dbraw/zinc/22/42/73/291224273.db2.gz GKBOGDJKACCBDS-LSDHHAIUSA-N 1 0 314.474 0.984 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)OCC(=O)N2 ZINC000566213625 291283010 /nfs/dbraw/zinc/28/30/10/291283010.db2.gz YSZYINUGUJLVDI-NSHDSACASA-N 1 0 305.334 0.126 10 0 DCAERO 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ZINC000334069808 252789173 /nfs/dbraw/zinc/78/91/73/252789173.db2.gz GJGLOLZVCLXHOJ-MELADBBJSA-N 1 0 322.413 0.344 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000094071355 296393564 /nfs/dbraw/zinc/39/35/64/296393564.db2.gz ZWEFQAGQVIQDRD-CYBMUJFWSA-N 1 0 319.471 0.793 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000175361553 285239793 /nfs/dbraw/zinc/23/97/93/285239793.db2.gz BIKAMPIZUZSQDN-SNVBAGLBSA-N 1 0 324.347 0.791 10 0 DCAERO CN(C)C(=O)CN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC000247996722 257111423 /nfs/dbraw/zinc/11/14/23/257111423.db2.gz MTVDHTJFCKVLKU-CVEARBPZSA-N 1 0 315.417 0.993 10 0 DCAERO Cc1ccc(C[N@H+]2C[C@H]3CCN(CC(=O)N(C)C)C(=O)[C@@H]3C2)o1 ZINC000248006301 257112381 /nfs/dbraw/zinc/11/23/81/257112381.db2.gz OPSSPJRQESIOHR-UKRRQHHQSA-N 1 0 319.405 0.957 10 0 DCAERO COCCNC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000247889972 257114935 /nfs/dbraw/zinc/11/49/35/257114935.db2.gz SWJXHPYKLCZEQB-HOCLYGCPSA-N 1 0 305.378 0.293 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/nfs/dbraw/zinc/50/48/93/296504893.db2.gz QRSNOYFXHNSRGG-VXGBXAGGSA-N 1 0 302.440 0.787 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154714664 289066347 /nfs/dbraw/zinc/06/63/47/289066347.db2.gz KPJFAFAIPXZURD-GFCCVEGCSA-N 1 0 319.471 0.503 10 0 DCAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000016339800 395690360 /nfs/dbraw/zinc/69/03/60/395690360.db2.gz NPGAEFXXNPPRES-LLVKDONJSA-N 1 0 312.414 0.409 10 0 DCAERO C1CCN(c2nc(N3CCCCC3)nc(N3CC[NH2+]CC3)n2)C1 ZINC000002576280 395681686 /nfs/dbraw/zinc/68/16/86/395681686.db2.gz BJQLMDKZPOKLJF-UHFFFAOYSA-N 1 0 317.441 0.872 10 0 DCAERO CS(=O)(=O)N1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000036828118 395724756 /nfs/dbraw/zinc/72/47/56/395724756.db2.gz QWIGSUBDIHCYHE-UHFFFAOYSA-N 1 0 311.407 0.299 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000046036584 395769509 /nfs/dbraw/zinc/76/95/09/395769509.db2.gz LDUAMBPMFGQQAT-XJFOESAGSA-N 1 0 317.455 0.557 10 0 DCAERO 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395832391 /nfs/dbraw/zinc/83/23/91/395832391.db2.gz RSLHSPVTOKXSLP-LBPRGKRZSA-N 1 0 316.361 0.282 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CCO1 ZINC000116796130 395846219 /nfs/dbraw/zinc/84/62/19/395846219.db2.gz UWNLYPSSVKSIFX-OYHNWAKOSA-N 1 0 324.446 0.968 10 0 DCAERO Cn1ncc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1-n1cccc1 ZINC000116789811 395846525 /nfs/dbraw/zinc/84/65/25/395846525.db2.gz NLSSTMMFWUDOHC-ZDUSSCGKSA-N 1 0 317.393 0.613 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245431506 395929270 /nfs/dbraw/zinc/92/92/70/395929270.db2.gz OBHXUJYYYPNHLM-KGLIPLIRSA-N 1 0 311.426 0.567 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237045822 395901523 /nfs/dbraw/zinc/90/15/23/395901523.db2.gz YJLZNEYYHMAMNS-RDBSUJKOSA-N 1 0 309.410 0.224 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000245468864 395930093 /nfs/dbraw/zinc/93/00/93/395930093.db2.gz LESBRCDEULKZHU-GDBMZVCRSA-N 1 0 324.469 0.482 10 0 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/nfs/dbraw/zinc/91/00/11/395910011.db2.gz QBGVWZWKGPOAMF-UHFFFAOYSA-N 1 0 309.395 0.509 10 0 DCAERO C[C@H](C[NH3+])CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000237533186 395914310 /nfs/dbraw/zinc/91/43/10/395914310.db2.gz PMDKVBWKMOUUCY-SECBINFHSA-N 1 0 304.799 0.825 10 0 DCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000129844143 395920996 /nfs/dbraw/zinc/92/09/96/395920996.db2.gz PAUIVSCMNTZCJY-KBPBESRZSA-N 1 0 318.425 0.791 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000119936005 395878795 /nfs/dbraw/zinc/87/87/95/395878795.db2.gz FCHHUSPWJZXKSA-OLZOCXBDSA-N 1 0 324.425 0.553 10 0 DCAERO Cn1cc([C@]2(C)CN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC000119924615 395879154 /nfs/dbraw/zinc/87/91/54/395879154.db2.gz JPDKQPLBLCHSKK-HOCLYGCPSA-N 1 0 321.425 0.771 10 0 DCAERO CCCNC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057205114 395941262 /nfs/dbraw/zinc/94/12/62/395941262.db2.gz XWZVLCJRZGOWBS-HNNXBMFYSA-N 1 0 320.437 0.985 10 0 DCAERO 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PPCPZPOGHGPMGO-LSDHHAIUSA-N 1 0 315.458 0.306 10 0 DCAERO C[NH2+][C@H]1CCN(c2ncncc2I)C1 ZINC000150247176 395971129 /nfs/dbraw/zinc/97/11/29/395971129.db2.gz ZIIIKOBSMPROLP-ZETCQYMHSA-N 1 0 304.135 0.879 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247298877 395971866 /nfs/dbraw/zinc/97/18/66/395971866.db2.gz UUAMTLFJBAMPOA-VXGBXAGGSA-N 1 0 304.412 0.438 10 0 DCAERO COC(=O)[C@@H](C)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247374152 395972231 /nfs/dbraw/zinc/97/22/31/395972231.db2.gz VASPOCIDCYQLPX-CABCVRRESA-N 1 0 313.442 0.275 10 0 DCAERO CCn1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000150780837 395972576 /nfs/dbraw/zinc/97/25/76/395972576.db2.gz IVRICFYKRBWBLM-AAEUAGOBSA-N 1 0 307.398 0.686 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1C ZINC000249004095 396000969 /nfs/dbraw/zinc/00/09/69/396000969.db2.gz NQCWKOXQWZDXPO-STQMWFEESA-N 1 0 319.409 0.962 10 0 DCAERO CNC(=O)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247559123 395976713 /nfs/dbraw/zinc/97/67/13/395976713.db2.gz UOEJBRLDUHVTSO-TZMCWYRMSA-N 1 0 319.409 0.337 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248983651 396001212 /nfs/dbraw/zinc/00/12/12/396001212.db2.gz UGUNPHMQYIPIJV-ZIAGYGMSSA-N 1 0 318.439 0.292 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2ccnn2C)CC[N@@H+]1C[C@H](C)O ZINC000248433290 395986959 /nfs/dbraw/zinc/98/69/59/395986959.db2.gz CZIFOXAYYSQPSQ-STQMWFEESA-N 1 0 309.414 0.407 10 0 DCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000248658533 395993226 /nfs/dbraw/zinc/99/32/26/395993226.db2.gz UGQDVHDWZZWISA-HOTGVXAUSA-N 1 0 300.443 0.961 10 0 DCAERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4[C@@H](O)[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5 ZINC000065742989 395996600 /nfs/dbraw/zinc/99/66/00/395996600.db2.gz PHAULTWBLLFYRX-FYNNLBNCSA-N 1 0 317.341 0.236 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCNC(=O)C1 ZINC000248801084 395997251 /nfs/dbraw/zinc/99/72/51/395997251.db2.gz JRHFOGBGZRKFCJ-DZGCQCFKSA-N 1 0 316.405 0.648 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)N(C)C ZINC000248808906 395997691 /nfs/dbraw/zinc/99/76/91/395997691.db2.gz KIGLTMCVCLMCLS-UKRRQHHQSA-N 1 0 318.421 0.894 10 0 DCAERO CC(C)[C@H](O)CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000153254014 396022875 /nfs/dbraw/zinc/02/28/75/396022875.db2.gz YINQYEUOYZZPGV-HUUCEWRRSA-N 1 0 314.474 0.575 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000069144199 396071264 /nfs/dbraw/zinc/07/12/64/396071264.db2.gz UPRBQCUVFLIKRB-RYUDHWBXSA-N 1 0 303.380 0.324 10 0 DCAERO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000253402845 396027158 /nfs/dbraw/zinc/02/71/58/396027158.db2.gz GRMYGRCXZVNOBX-LSDHHAIUSA-N 1 0 314.389 0.643 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC000253548992 396030258 /nfs/dbraw/zinc/03/02/58/396030258.db2.gz NDEDFHPKENRRLP-GRYCIOLGSA-N 1 0 308.382 0.060 10 0 DCAERO Cc1c(CCC(=O)NCCCC[NH+]2CCOCC2)cnn1C ZINC000154212686 396034314 /nfs/dbraw/zinc/03/43/14/396034314.db2.gz WDJXVWPJQSZTGO-UHFFFAOYSA-N 1 0 308.426 0.890 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)C[NH2+]C3CC3)CC2)n1 ZINC000154655543 396040497 /nfs/dbraw/zinc/04/04/97/396040497.db2.gz SZTVLLUGIZJMJC-NSHDSACASA-N 1 0 307.398 0.589 10 0 DCAERO O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@H]1CCCC[NH2+]C1 ZINC000258495701 396046973 /nfs/dbraw/zinc/04/69/73/396046973.db2.gz LUTFRUOMPWMOMW-RYUDHWBXSA-N 1 0 303.428 0.395 10 0 DCAERO [NH3+][C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000261607620 396048945 /nfs/dbraw/zinc/04/89/45/396048945.db2.gz AWJGAKGWDYNRHH-IUODEOHRSA-N 1 0 306.362 0.697 10 0 DCAERO C[C@H]([NH3+])CC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000261668875 396054755 /nfs/dbraw/zinc/05/47/55/396054755.db2.gz ALFZKWXWFFOVIV-STQMWFEESA-N 1 0 310.442 0.315 10 0 DCAERO CCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000261682426 396056211 /nfs/dbraw/zinc/05/62/11/396056211.db2.gz QQKCFTGNKJSLJF-UHFFFAOYSA-N 1 0 316.427 0.431 10 0 DCAERO O=S(=O)(N1CCCCC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261859134 396073195 /nfs/dbraw/zinc/07/31/95/396073195.db2.gz RBBJAMLDTDHPOY-CQSZACIVSA-N 1 0 310.423 0.759 10 0 DCAERO O=C(COc1ccc(CCNC2=[NH+]CCCN2)cc1)NC1CC1 ZINC000261749691 396062214 /nfs/dbraw/zinc/06/22/14/396062214.db2.gz JRYKGQRCKUAFAI-UHFFFAOYSA-N 1 0 316.405 0.825 10 0 DCAERO C[NH2+]CCC1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000261746312 396062403 /nfs/dbraw/zinc/06/24/03/396062403.db2.gz VOIQYGNDQAAXFF-UHFFFAOYSA-N 1 0 312.439 0.840 10 0 DCAERO CN(C(=O)CNC(=O)[C@@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261784880 396065583 /nfs/dbraw/zinc/06/55/83/396065583.db2.gz NFCSSZFVNJGEBO-HNNXBMFYSA-N 1 0 311.426 0.648 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000249139854 396003847 /nfs/dbraw/zinc/00/38/47/396003847.db2.gz FKPOSECGYSGQJN-OLZOCXBDSA-N 1 0 305.382 0.444 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249183175 396004330 /nfs/dbraw/zinc/00/43/30/396004330.db2.gz NNVOGPFEIHLDCR-RYUDHWBXSA-N 1 0 318.377 0.724 10 0 DCAERO CCOc1ccc2c(c1)C[C@@H](C(=O)NCC[NH2+]CCOC)CO2 ZINC000152336223 396006745 /nfs/dbraw/zinc/00/67/45/396006745.db2.gz GEKMZUDGPBPIHW-CQSZACIVSA-N 1 0 322.405 0.989 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000249609392 396010206 /nfs/dbraw/zinc/01/02/06/396010206.db2.gz BLSOTWPAQSDHFK-NWDGAFQWSA-N 1 0 303.428 0.011 10 0 DCAERO Cc1nc(CN2CCC[N@@H+](CCN3CCOC[C@H]3C)CC2)no1 ZINC000249629822 396010536 /nfs/dbraw/zinc/01/05/36/396010536.db2.gz UXYZINQUVWBIHC-CQSZACIVSA-N 1 0 323.441 0.606 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000249734407 396012100 /nfs/dbraw/zinc/01/21/00/396012100.db2.gz DEILFHYHIBLOID-GJZGRUSLSA-N 1 0 312.458 0.738 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000249889719 396013142 /nfs/dbraw/zinc/01/31/42/396013142.db2.gz SBKFUUNPEXAYGV-NWDGAFQWSA-N 1 0 303.428 0.011 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000250082872 396013622 /nfs/dbraw/zinc/01/36/22/396013622.db2.gz PHWNLYOVXRVKEA-IMSYWVGJSA-N 1 0 307.316 0.558 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000152789601 396015479 /nfs/dbraw/zinc/01/54/79/396015479.db2.gz CWCYKJNQOWYRNQ-NUEKZKHPSA-N 1 0 323.437 0.567 10 0 DCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261994102 396088528 /nfs/dbraw/zinc/08/85/28/396088528.db2.gz TWHNRQKEFKDYQX-UKMLZYKCSA-N 1 0 320.437 0.900 10 0 DCAERO [NH3+]CC1(C(=O)NC[C@H]2COc3ccccc3O2)CCOCC1 ZINC000262077394 396096244 /nfs/dbraw/zinc/09/62/44/396096244.db2.gz GRUQAFUHHAFQSX-LBPRGKRZSA-N 1 0 306.362 0.698 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873791 396099388 /nfs/dbraw/zinc/09/93/88/396099388.db2.gz AOIHYWZSFUWQBR-LLVKDONJSA-N 1 0 312.391 0.798 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000171038295 396104908 /nfs/dbraw/zinc/10/49/08/396104908.db2.gz YKNWZXWNVBQECP-UONOGXRCSA-N 1 0 300.447 0.737 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262178740 396107254 /nfs/dbraw/zinc/10/72/54/396107254.db2.gz BJMPGSPYCJNGFX-SWLSCSKDSA-N 1 0 307.394 0.611 10 0 DCAERO C[NH2+][C@H](C(=O)N1CCN(C(=O)C(C)C)CC1)c1cnn(C)c1 ZINC000262252868 396115385 /nfs/dbraw/zinc/11/53/85/396115385.db2.gz STMAJNVBZAHZGM-ZDUSSCGKSA-N 1 0 307.398 0.007 10 0 DCAERO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1=O ZINC000262321793 396123609 /nfs/dbraw/zinc/12/36/09/396123609.db2.gz FJBZJZFQJYGQCU-ZDUSSCGKSA-N 1 0 314.345 0.103 10 0 DCAERO [NH3+][C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000261892259 396076682 /nfs/dbraw/zinc/07/66/82/396076682.db2.gz CIYTWPJZMKKAGQ-CHWSQXEVSA-N 1 0 311.451 0.932 10 0 DCAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(c2cccnn2)CC1 ZINC000261901467 396077307 /nfs/dbraw/zinc/07/73/07/396077307.db2.gz DYEKCNAMFHJZLD-ZDUSSCGKSA-N 1 0 301.394 0.515 10 0 DCAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CCOCC1 ZINC000261911087 396078501 /nfs/dbraw/zinc/07/85/01/396078501.db2.gz IZFZTBNYNVBPHV-XHSDSOJGSA-N 1 0 311.470 0.844 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CCc3c(ncn3C)C2)CC1 ZINC000069455809 396079600 /nfs/dbraw/zinc/07/96/00/396079600.db2.gz QMXZOUPLLPHMBG-UHFFFAOYSA-N 1 0 305.426 0.379 10 0 DCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261945230 396082583 /nfs/dbraw/zinc/08/25/83/396082583.db2.gz NKZUAKJDZIFDJO-ZDUSSCGKSA-N 1 0 311.426 0.505 10 0 DCAERO C(N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956941 396084371 /nfs/dbraw/zinc/08/43/71/396084371.db2.gz OZZBPTAMNCXNHX-MCIONIFRSA-N 1 0 305.426 0.861 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cn(-c3ccccc3)nn2)n1 ZINC000263184170 396205359 /nfs/dbraw/zinc/20/53/59/396205359.db2.gz HCNXHMREYRVKQA-CYBMUJFWSA-N 1 0 311.349 0.893 10 0 DCAERO CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263215572 396205870 /nfs/dbraw/zinc/20/58/70/396205870.db2.gz KVLGFEZWGIPKNH-JSGCOSHPSA-N 1 0 319.471 0.682 10 0 DCAERO CC(=O)N1CCC(CCc2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263253626 396209549 /nfs/dbraw/zinc/20/95/49/396209549.db2.gz QECKLEOSAALQBP-AWEZNQCLSA-N 1 0 321.425 0.837 10 0 DCAERO O=C(NCc1cccc(OCC(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262530521 396151554 /nfs/dbraw/zinc/15/15/54/396151554.db2.gz PMBISJUMLMKQPE-JQWIXIFHSA-N 1 0 300.305 0.670 10 0 DCAERO CSCC[C@H](NC(N)=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262579682 396158461 /nfs/dbraw/zinc/15/84/61/396158461.db2.gz IIHCPSYPMUGJRL-QWRGUYRKSA-N 1 0 304.460 0.608 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000176639672 396158501 /nfs/dbraw/zinc/15/85/01/396158501.db2.gz BNWYQAAIGXAPRK-JTQLQIEISA-N 1 0 315.395 0.153 10 0 DCAERO CN(CC(C)(C)C[NH3+])C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262591323 396159088 /nfs/dbraw/zinc/15/90/88/396159088.db2.gz TYCPVEAOXDRHLE-UHFFFAOYSA-N 1 0 318.377 0.545 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000176762770 396160603 /nfs/dbraw/zinc/16/06/03/396160603.db2.gz MCULMVUEMJMSLP-UHFFFAOYSA-N 1 0 323.393 0.091 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262606688 396161253 /nfs/dbraw/zinc/16/12/53/396161253.db2.gz ZFLHOZHMHBNDSU-YNEHKIRRSA-N 1 0 317.455 0.434 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(S(C)(=O)=O)c2)n1 ZINC000263263069 396210407 /nfs/dbraw/zinc/21/04/07/396210407.db2.gz RFDGTOBVLOHUEU-LBPRGKRZSA-N 1 0 322.390 0.716 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccnc1OC ZINC000176899101 396162699 /nfs/dbraw/zinc/16/26/99/396162699.db2.gz WFIUKTJZBSUJPI-GFCCVEGCSA-N 1 0 320.393 0.971 10 0 DCAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262638450 396165848 /nfs/dbraw/zinc/16/58/48/396165848.db2.gz QDNSQIPSLWLPCR-MROQNXINSA-N 1 0 302.440 0.928 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccn(C)c2=O)CC1 ZINC000177169583 396167894 /nfs/dbraw/zinc/16/78/94/396167894.db2.gz HASBSVNECOEWOO-LBPRGKRZSA-N 1 0 308.382 0.306 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000177487215 396177384 /nfs/dbraw/zinc/17/73/84/396177384.db2.gz JDEWBPVLGQWLSY-CHWSQXEVSA-N 1 0 304.394 0.800 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262744239 396177915 /nfs/dbraw/zinc/17/79/15/396177915.db2.gz DDFQRLSTTXDEGY-ZWNOBZJWSA-N 1 0 311.407 0.323 10 0 DCAERO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1C[NH2+]C1 ZINC000263274061 396211335 /nfs/dbraw/zinc/21/13/35/396211335.db2.gz IOZVYOCUPDRZAK-HNNXBMFYSA-N 1 0 307.369 0.535 10 0 DCAERO NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262769802 396179911 /nfs/dbraw/zinc/17/99/11/396179911.db2.gz MGEIIIWSVNRSCQ-JHJVBQTASA-N 1 0 319.409 0.582 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)NCc2cccc(C)c2)CC1 ZINC000075962501 396190904 /nfs/dbraw/zinc/19/09/04/396190904.db2.gz WNVTZUZNDRLVBJ-QGZVFWFLSA-N 1 0 319.449 1.000 10 0 DCAERO CCNC(=O)NC1(c2nc([C@@H]3C[NH2+]CCN3C)no2)CCCC1 ZINC000263288269 396212124 /nfs/dbraw/zinc/21/21/24/396212124.db2.gz VIDPFOIWWCFWGG-NSHDSACASA-N 1 0 322.413 0.734 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000263041753 396199285 /nfs/dbraw/zinc/19/92/85/396199285.db2.gz DTJKENGTYUBAMR-XHDPSFHLSA-N 1 0 314.389 0.590 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000181936764 396243750 /nfs/dbraw/zinc/24/37/50/396243750.db2.gz PBXBZGGTXSTLCV-UHFFFAOYSA-N 1 0 307.394 0.835 10 0 DCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282223196 396273850 /nfs/dbraw/zinc/27/38/50/396273850.db2.gz YXEUJCSXDFGHPB-NEPJUHHUSA-N 1 0 319.409 0.982 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183927074 396278082 /nfs/dbraw/zinc/27/80/82/396278082.db2.gz FXBABIZZCMXXIL-UHFFFAOYSA-N 1 0 322.331 0.880 10 0 DCAERO CC(C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)N1CCCC1=O ZINC000263319153 396213873 /nfs/dbraw/zinc/21/38/73/396213873.db2.gz ZYSLVYZNPDNEEO-WCQYABFASA-N 1 0 307.398 0.965 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)N(Cc1ccccc1)C1CC1 ZINC000179177771 396223171 /nfs/dbraw/zinc/22/31/71/396223171.db2.gz YSFUPDAMOMHWHX-HZPDHXFCSA-N 1 0 304.390 0.605 10 0 DCAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000179429337 396226833 /nfs/dbraw/zinc/22/68/33/396226833.db2.gz HVKOWNFUMLWBDT-LBPRGKRZSA-N 1 0 307.398 0.650 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000077606733 396226988 /nfs/dbraw/zinc/22/69/88/396226988.db2.gz FIPGOARUVYKHAS-UHFFFAOYSA-N 1 0 323.418 0.691 10 0 DCAERO CCCC(=O)NCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184188183 396287654 /nfs/dbraw/zinc/28/76/54/396287654.db2.gz BNQMEWGDIKQXQJ-UHFFFAOYSA-N 1 0 312.458 0.435 10 0 DCAERO Cc1c(O)ccc2c(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)oc12 ZINC000185143316 396319608 /nfs/dbraw/zinc/31/96/08/396319608.db2.gz PNLIKFZTLFSLMT-VXGBXAGGSA-N 1 0 305.330 0.735 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn2c1CCCC2 ZINC000184379268 396293376 /nfs/dbraw/zinc/29/33/76/396293376.db2.gz PWSQYDSOMZFJFL-CQSZACIVSA-N 1 0 319.453 0.975 10 0 DCAERO CC1CC[NH+](CCNC(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000184406720 396294370 /nfs/dbraw/zinc/29/43/70/396294370.db2.gz YZUNUVYECBGROF-INIZCTEOSA-N 1 0 311.426 0.919 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000184842936 396308618 /nfs/dbraw/zinc/30/86/18/396308618.db2.gz MXZFNDGHGBUECJ-KGLIPLIRSA-N 1 0 301.431 0.900 10 0 DCAERO COCCCCS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184858110 396308907 /nfs/dbraw/zinc/30/89/07/396308907.db2.gz PNTCRDMVVFMVCT-ZDUSSCGKSA-N 1 0 308.444 0.179 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000185407718 396327012 /nfs/dbraw/zinc/32/70/12/396327012.db2.gz WKCAOINNVVEFGL-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO Cn1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000185519096 396329458 /nfs/dbraw/zinc/32/94/58/396329458.db2.gz XLVNSECXWCBMFE-VIFPVBQESA-N 1 0 300.309 0.942 10 0 DCAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000185484417 396328532 /nfs/dbraw/zinc/32/85/32/396328532.db2.gz DFDNZDNCBLNWCG-NSHDSACASA-N 1 0 316.365 0.893 10 0 DCAERO CCOC(=O)C[C@](C)([NH2+]C[C@H](O)CN1CCCC1=O)C(C)C ZINC000186702110 396355988 /nfs/dbraw/zinc/35/59/88/396355988.db2.gz SDIWYBGPWVALLC-BBRMVZONSA-N 1 0 314.426 0.927 10 0 DCAERO C[N@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CC1(CO)CC1 ZINC000186805624 396358059 /nfs/dbraw/zinc/35/80/59/396358059.db2.gz FLGNWDXJKPNYFK-GFCCVEGCSA-N 1 0 318.373 0.348 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1CC ZINC000186428962 396349795 /nfs/dbraw/zinc/34/97/95/396349795.db2.gz BDLWRQDSTISXSM-RYUDHWBXSA-N 1 0 300.403 0.003 10 0 DCAERO CCOc1ccc(NC(=O)CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188444822 396382631 /nfs/dbraw/zinc/38/26/31/396382631.db2.gz MVRQTXMFOAXXTR-GXFFZTMASA-N 1 0 309.341 0.840 10 0 DCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCCC[C@H]1c1nc[nH]n1 ZINC000188801115 396386755 /nfs/dbraw/zinc/38/67/55/396386755.db2.gz RVLKXDBWUUGAEN-NSHDSACASA-N 1 0 301.354 0.541 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000189036081 396389874 /nfs/dbraw/zinc/38/98/74/396389874.db2.gz NNYZQFFEYAKPSK-MCIONIFRSA-N 1 0 313.442 0.451 10 0 DCAERO Cn1cc([C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)cn1 ZINC000189591105 396396961 /nfs/dbraw/zinc/39/69/61/396396961.db2.gz JYZUJIIIOUGFQQ-CQSZACIVSA-N 1 0 312.439 0.983 10 0 DCAERO CC(=O)NC1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000190291017 396404216 /nfs/dbraw/zinc/40/42/16/396404216.db2.gz CJAVTMPCLWLTBA-JKSUJKDBSA-N 1 0 316.405 0.962 10 0 DCAERO CCc1nnc(C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)[nH]1 ZINC000190663625 396409425 /nfs/dbraw/zinc/40/94/25/396409425.db2.gz CRGVYVPCSZEQNP-ZDUSSCGKSA-N 1 0 304.398 0.804 10 0 DCAERO CC(C)[C@H]([NH2+]CCN1CCOC[C@@H]1C)C(=O)N1CCOCC1 ZINC000192784457 396437281 /nfs/dbraw/zinc/43/72/81/396437281.db2.gz WPGPPPILGWOVFK-GJZGRUSLSA-N 1 0 313.442 0.180 10 0 DCAERO Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000192922010 396440074 /nfs/dbraw/zinc/44/00/74/396440074.db2.gz RQPIFZQWTJWHSG-CYBMUJFWSA-N 1 0 320.393 0.292 10 0 DCAERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000286199643 396380161 /nfs/dbraw/zinc/38/01/61/396380161.db2.gz XVAZIYLKFPFWSK-ZDUSSCGKSA-N 1 0 319.409 0.241 10 0 DCAERO CN1CCN(c2ncc(CN3CCn4cncc4C3)cn2)CC1 ZINC000291642581 396503767 /nfs/dbraw/zinc/50/37/67/396503767.db2.gz TYCTZFXHHPECJO-UHFFFAOYSA-N 1 0 313.409 0.441 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000193269659 396447523 /nfs/dbraw/zinc/44/75/23/396447523.db2.gz OOXDIXKQTSHQRL-GFCCVEGCSA-N 1 0 311.407 0.371 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000193476380 396452107 /nfs/dbraw/zinc/45/21/07/396452107.db2.gz AJSXBHMMEWQGCU-GFCCVEGCSA-N 1 0 306.366 0.118 10 0 DCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000372556677 396526575 /nfs/dbraw/zinc/52/65/75/396526575.db2.gz KFYWWGKDMFTDMM-KBPBESRZSA-N 1 0 320.455 0.274 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4n(n3)CCO4)[C@H]2C1 ZINC000293983258 396646046 /nfs/dbraw/zinc/64/60/46/396646046.db2.gz VVMPHXLFEORYDM-QWHCGFSZSA-N 1 0 306.366 0.211 10 0 DCAERO CC(C)(C)OC(=O)N1CCN(c2n[nH]c(C3([NH3+])CC3)n2)CC1 ZINC000536957804 396609767 /nfs/dbraw/zinc/60/97/67/396609767.db2.gz QAVMCUCBGUOLBB-UHFFFAOYSA-N 1 0 308.386 0.810 10 0 DCAERO CC1CCN(C(=[NH2+])NCCCN2CCCS2(=O)=O)CC1 ZINC000590208880 396744724 /nfs/dbraw/zinc/74/47/24/396744724.db2.gz IMNCAWXPAIBWGB-UHFFFAOYSA-N 1 0 302.444 0.668 10 0 DCAERO CCCn1c(=O)[nH]nc1SC[C@@H](O)C[N@H+](C)CCOC ZINC000313073403 396767623 /nfs/dbraw/zinc/76/76/23/396767623.db2.gz KKLWITYOIUUFRD-JTQLQIEISA-N 1 0 304.416 0.013 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1CN(C(C)=O)C1CC1 ZINC000328629766 396826299 /nfs/dbraw/zinc/82/62/99/396826299.db2.gz IQIGTZULZWMHTH-CQSZACIVSA-N 1 0 317.455 0.401 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2COCCN2C)c1 ZINC000629599601 396804310 /nfs/dbraw/zinc/80/43/10/396804310.db2.gz JVVNOWBUMPMSJQ-JKSUJKDBSA-N 1 0 322.405 0.549 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2ccccc2F)[C@@](C)(C[NH3+])C1 ZINC000630359425 396994218 /nfs/dbraw/zinc/99/42/18/396994218.db2.gz DCSZWHMAPBBQQO-ZWNOBZJWSA-N 1 0 302.371 0.953 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])c1 ZINC000630363432 396995263 /nfs/dbraw/zinc/99/52/63/396995263.db2.gz NAOGHYGVOLIPQA-PWSUYJOCSA-N 1 0 302.400 0.030 10 0 DCAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000386292128 397287816 /nfs/dbraw/zinc/28/78/16/397287816.db2.gz PUAZOGQOQPIGIL-NEPJUHHUSA-N 1 0 314.407 0.416 10 0 DCAERO O=C1NC(=O)C2(CCC([NH2+]C[C@H](CO)c3ccccc3)CC2)N1 ZINC000574745170 397296141 /nfs/dbraw/zinc/29/61/41/397296141.db2.gz ZASBJEGZAKNQIT-TUBUQKNSSA-N 1 0 317.389 0.873 10 0 DCAERO C[C@@H](C[NH2+]C[C@@H](O)CN1CCOCC1)N(C)Cc1ccccc1 ZINC000390706981 397302222 /nfs/dbraw/zinc/30/22/22/397302222.db2.gz RMJBMFDAFWPQTJ-FUHWJXTLSA-N 1 0 321.465 0.790 10 0 DCAERO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000574306019 397256015 /nfs/dbraw/zinc/25/60/15/397256015.db2.gz PDDJVTKMYKZRPX-IAQYHMDHSA-N 1 0 308.382 0.061 10 0 DCAERO Cc1scc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1C ZINC000399974008 397314722 /nfs/dbraw/zinc/31/47/22/397314722.db2.gz CIASLCMERXTKDV-GFCCVEGCSA-N 1 0 304.437 0.773 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000407956043 397335918 /nfs/dbraw/zinc/33/59/18/397335918.db2.gz LBDUQDMPJLACBK-CYBMUJFWSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000407958408 397337207 /nfs/dbraw/zinc/33/72/07/397337207.db2.gz RKBSAECTXRQXBJ-UONOGXRCSA-N 1 0 310.442 0.979 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000577652747 397350854 /nfs/dbraw/zinc/35/08/54/397350854.db2.gz XVGFIMZTEXORGV-MGPQQGTHSA-N 1 0 309.410 0.223 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000408294490 397352022 /nfs/dbraw/zinc/35/20/22/397352022.db2.gz NALXBWQMNRSCKA-UHFFFAOYSA-N 1 0 308.469 0.524 10 0 DCAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000368282773 397418003 /nfs/dbraw/zinc/41/80/03/397418003.db2.gz GUDLBEUXGZFJRM-MRXNPFEDSA-N 1 0 322.453 0.587 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)C[C@@H]1[NH+](C)C ZINC000578697773 397472018 /nfs/dbraw/zinc/47/20/18/397472018.db2.gz RZPZCLZLRGUJHR-RDBSUJKOSA-N 1 0 323.437 0.613 10 0 DCAERO Cc1cccn2cc(CC(=O)NC[C@H]3C[NH2+]CCCO3)nc12 ZINC000579014102 397516101 /nfs/dbraw/zinc/51/61/01/397516101.db2.gz NJCRZZKVGOQIKP-CQSZACIVSA-N 1 0 302.378 0.680 10 0 DCAERO O=C(NCCCN1C(=O)CNC1=O)Nc1ccc2nccn2c1 ZINC000606583959 397683951 /nfs/dbraw/zinc/68/39/51/397683951.db2.gz VDCIMHGLEOHXSO-UHFFFAOYSA-N 1 0 316.321 0.398 10 0 DCAERO CSC[C@@H](CCO)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478214 397824970 /nfs/dbraw/zinc/82/49/70/397824970.db2.gz QDSLRXIFTRXNQB-LLVKDONJSA-N 1 0 315.443 0.680 10 0 DCAERO CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089457445 286618889 /nfs/dbraw/zinc/61/88/89/286618889.db2.gz CCVPTPBJXSMQKW-JHJVBQTASA-N 1 0 317.455 0.149 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000069692808 158045192 /nfs/dbraw/zinc/04/51/92/158045192.db2.gz FGNADXZAOKEMTB-UHFFFAOYSA-N 1 0 317.455 0.691 10 0 DCAERO C[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000074657002 158059132 /nfs/dbraw/zinc/05/91/32/158059132.db2.gz OPQMTNVMHGMYOB-CABCVRRESA-N 1 0 312.458 0.690 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCOCC1 ZINC000079066978 158077454 /nfs/dbraw/zinc/07/74/54/158077454.db2.gz UXEFLPZSUJIVGW-HNNXBMFYSA-N 1 0 314.474 0.984 10 0 DCAERO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000079167519 158077632 /nfs/dbraw/zinc/07/76/32/158077632.db2.gz OJCGSZHRZHETOR-UKRRQHHQSA-N 1 0 312.458 0.879 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000092929641 158117485 /nfs/dbraw/zinc/11/74/85/158117485.db2.gz ROSWFCNDWGBFDX-ZYHUDNBSSA-N 1 0 303.366 0.881 10 0 DCAERO Cc1c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cnn1C ZINC000093650179 158120442 /nfs/dbraw/zinc/12/04/42/158120442.db2.gz DHAXRPWJXBFLJI-UHFFFAOYSA-N 1 0 308.407 0.708 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000104791003 158129607 /nfs/dbraw/zinc/12/96/07/158129607.db2.gz ROOJXSRGSNBOEL-AWEZNQCLSA-N 1 0 312.458 0.879 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000105846087 158130427 /nfs/dbraw/zinc/13/04/27/158130427.db2.gz YVTQALBBZGRVSJ-KRWDZBQOSA-N 1 0 321.469 0.647 10 0 DCAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)c1 ZINC000105904287 158132465 /nfs/dbraw/zinc/13/24/65/158132465.db2.gz YKRRBZJIXDLVLO-HZPDHXFCSA-N 1 0 308.426 0.522 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2nnnn2C2CC2)CC1 ZINC000109754427 158138683 /nfs/dbraw/zinc/13/86/83/158138683.db2.gz JMJKKUIKTJMJPL-OAHLLOKOSA-N 1 0 319.457 0.610 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc(C)no2)CC1=O ZINC000112875155 158143804 /nfs/dbraw/zinc/14/38/04/158143804.db2.gz NXXDBFSFWRBIOG-VXGBXAGGSA-N 1 0 321.381 0.649 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000112743455 158144225 /nfs/dbraw/zinc/14/42/25/158144225.db2.gz XRFWKCJCXCAFBX-ZDUSSCGKSA-N 1 0 322.413 0.005 10 0 DCAERO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000113510341 158147951 /nfs/dbraw/zinc/14/79/51/158147951.db2.gz JPYOGXVBLCPVTG-RDJZCZTQSA-N 1 0 324.421 0.354 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000114959066 158160140 /nfs/dbraw/zinc/16/01/40/158160140.db2.gz YUZGOUWYRLGYFB-NWDGAFQWSA-N 1 0 320.441 0.937 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000116784221 158166815 /nfs/dbraw/zinc/16/68/15/158166815.db2.gz JPEQHLPUNVZRPV-HIFRSBDPSA-N 1 0 323.437 0.567 10 0 DCAERO CC(C)CN(C(=O)CN1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116889628 158166893 /nfs/dbraw/zinc/16/68/93/158166893.db2.gz FPBSMSWWTJZXMZ-ZDUSSCGKSA-N 1 0 319.471 0.503 10 0 DCAERO CCS(=O)(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117373005 158171542 /nfs/dbraw/zinc/17/15/42/158171542.db2.gz DUVKZZGYUYFLED-AWEZNQCLSA-N 1 0 319.471 0.063 10 0 DCAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000117748040 158173121 /nfs/dbraw/zinc/17/31/21/158173121.db2.gz BAECQSMCFCPPEW-BBRMVZONSA-N 1 0 303.406 0.915 10 0 DCAERO Cn1ccnc1C[C@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000120236321 158195381 /nfs/dbraw/zinc/19/53/81/158195381.db2.gz AOTJXWNAHIIZMB-GFCCVEGCSA-N 1 0 302.382 0.952 10 0 DCAERO C[C@@H](C[N@H+](C)CC(C)(C)CN1CCOCC1)CS(C)(=O)=O ZINC000123997641 158237215 /nfs/dbraw/zinc/23/72/15/158237215.db2.gz WYDJQHCVXWQVHK-AWEZNQCLSA-N 1 0 320.499 0.957 10 0 DCAERO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000124858637 158248374 /nfs/dbraw/zinc/24/83/74/158248374.db2.gz UCNPBBCJGJUWAX-JTQLQIEISA-N 1 0 317.386 0.170 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC000133674324 158320475 /nfs/dbraw/zinc/32/04/75/158320475.db2.gz CGMJHNGXFSXIMH-GFCCVEGCSA-N 1 0 307.423 0.220 10 0 DCAERO O=C1[C@H]([NH+]2CCC(N3CCCNC3=O)CC2)CCN1C1CC1 ZINC000135447754 158336224 /nfs/dbraw/zinc/33/62/24/158336224.db2.gz RMLHZUXXBBJHMN-CQSZACIVSA-N 1 0 306.410 0.629 10 0 DCAERO CCCCn1nccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000152474533 158349735 /nfs/dbraw/zinc/34/97/35/158349735.db2.gz DETDUZXKODZHDO-GFCCVEGCSA-N 1 0 307.398 0.784 10 0 DCAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000161657820 158359209 /nfs/dbraw/zinc/35/92/09/158359209.db2.gz YLENKAMTWZRHNV-VIFPVBQESA-N 1 0 302.421 0.833 10 0 DCAERO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2COCCN2)cc1 ZINC000167518897 158370095 /nfs/dbraw/zinc/37/00/95/158370095.db2.gz UHHZOILIDDSZOK-MRXNPFEDSA-N 1 0 321.421 0.622 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000170860037 158376975 /nfs/dbraw/zinc/37/69/75/158376975.db2.gz NZTBAOYSBWYKQS-LLVKDONJSA-N 1 0 311.332 0.857 10 0 DCAERO Cc1nc(C[C@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)no1 ZINC000170914553 158378780 /nfs/dbraw/zinc/37/87/80/158378780.db2.gz UJDYNUIHYFAWEZ-LLVKDONJSA-N 1 0 302.400 0.311 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000171866341 158387250 /nfs/dbraw/zinc/38/72/50/158387250.db2.gz VWBZIOUFZVRJGC-CYBMUJFWSA-N 1 0 306.414 0.768 10 0 DCAERO O=S(=O)(C[C@@H]1CCOC1)N1CCC([NH+]2CCCC2)CC1 ZINC000171958635 158388939 /nfs/dbraw/zinc/38/89/39/158388939.db2.gz FHWKUBBZRZGLOF-CYBMUJFWSA-N 1 0 302.440 0.913 10 0 DCAERO CC1(C)NC(=O)N(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)C1=O ZINC000172800795 158399832 /nfs/dbraw/zinc/39/98/32/158399832.db2.gz WLAJSABKJOQAGL-CYBMUJFWSA-N 1 0 308.426 0.877 10 0 DCAERO C[NH2+]C1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000179142907 158469995 /nfs/dbraw/zinc/46/99/95/158469995.db2.gz OLXUUVMMIDTJEN-STQMWFEESA-N 1 0 307.394 0.372 10 0 DCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)CC2 ZINC000183219970 158497070 /nfs/dbraw/zinc/49/70/70/158497070.db2.gz WGSVVZTUYYISKB-GHMZBOCLSA-N 1 0 300.428 0.739 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000193416687 158584278 /nfs/dbraw/zinc/58/42/78/158584278.db2.gz JDVRLJRGOAMBRD-PSASIEDQSA-N 1 0 308.354 0.425 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000230847167 158625086 /nfs/dbraw/zinc/62/50/86/158625086.db2.gz YMXJYIBLIWSUNB-JVHMLUBASA-N 1 0 304.803 0.635 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@H]1c1cccnc1 ZINC000246973242 158674407 /nfs/dbraw/zinc/67/44/07/158674407.db2.gz LIHIWAPFXXNJTJ-IJEWVQPXSA-N 1 0 316.405 0.811 10 0 DCAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247025513 158675628 /nfs/dbraw/zinc/67/56/28/158675628.db2.gz QTCJFPCCLVIEFW-GVXVVHGQSA-N 1 0 302.440 0.847 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000250090750 158710997 /nfs/dbraw/zinc/71/09/97/158710997.db2.gz QFBQHEJYKYTIHF-JHJVBQTASA-N 1 0 317.455 0.305 10 0 DCAERO CO[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1(C)C ZINC000261845301 158745368 /nfs/dbraw/zinc/74/53/68/158745368.db2.gz ASSBRSNWIZEUEM-RFGFWPKPSA-N 1 0 306.410 0.653 10 0 DCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261895756 158751477 /nfs/dbraw/zinc/75/14/77/158751477.db2.gz HCKPLHFFHKCLIG-YUTCNCBUSA-N 1 0 321.425 0.144 10 0 DCAERO CC(C)n1ncc2cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262117544 158775181 /nfs/dbraw/zinc/77/51/81/158775181.db2.gz FRZAOEJDLZPTAC-STQMWFEESA-N 1 0 303.366 0.322 10 0 DCAERO Cc1ccccc1-n1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262138870 158777300 /nfs/dbraw/zinc/77/73/00/158777300.db2.gz HAMNRGNAOJCEHP-IUODEOHRSA-N 1 0 300.362 0.491 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262178737 158782067 /nfs/dbraw/zinc/78/20/67/158782067.db2.gz BJMPGSPYCJNGFX-IUODEOHRSA-N 1 0 307.394 0.611 10 0 DCAERO NCc1nc(CN2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000262208919 158785753 /nfs/dbraw/zinc/78/57/53/158785753.db2.gz LKXFBLNVAJFOIR-UHFFFAOYSA-N 1 0 301.394 0.889 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000262600855 158829026 /nfs/dbraw/zinc/82/90/26/158829026.db2.gz CAVXOAKEPCJSFG-MELADBBJSA-N 1 0 309.410 0.211 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(-n3cncn3)cc2)n1 ZINC000263191556 158860660 /nfs/dbraw/zinc/86/06/60/158860660.db2.gz HYGVHZKVXRYPDZ-CYBMUJFWSA-N 1 0 311.349 0.893 10 0 DCAERO CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4n[nH]nc43)C[C@H]21 ZINC000329206640 159073038 /nfs/dbraw/zinc/07/30/38/159073038.db2.gz XLMYXWJTRSANKT-OLZOCXBDSA-N 1 0 319.340 0.642 10 0 DCAERO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329265592 159077161 /nfs/dbraw/zinc/07/71/61/159077161.db2.gz HDOLKGKWDHCFOX-MCIONIFRSA-N 1 0 308.426 0.929 10 0 DCAERO CN(C(=O)[C@@H]1COCCN1CC1CCC1)[C@@H]1CCN(C)C1=O ZINC000329286323 159079002 /nfs/dbraw/zinc/07/90/02/159079002.db2.gz MBVCHTUNDQUXMU-KGLIPLIRSA-N 1 0 309.410 0.176 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000329416168 159090768 /nfs/dbraw/zinc/09/07/68/159090768.db2.gz FPLRYYAFGSTFTG-TUAOUCFPSA-N 1 0 309.439 0.848 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nn1 ZINC000329521836 159099183 /nfs/dbraw/zinc/09/91/83/159099183.db2.gz PBZXDHLSZOWTOH-CCECPURYSA-N 1 0 323.441 0.683 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)C2CCOCC2)nn1 ZINC000329529885 159099667 /nfs/dbraw/zinc/09/96/67/159099667.db2.gz UDRHPGYZNJJIJC-KCPJHIHWSA-N 1 0 310.398 0.769 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(N(C)C)cn3)[C@H]2C1 ZINC000329529679 159099897 /nfs/dbraw/zinc/09/98/97/159099897.db2.gz IMPJASIAODSLDA-UONOGXRCSA-N 1 0 319.409 0.478 10 0 DCAERO O=S(=O)(c1cnn2c1OCCC2)N1CCN(C2CC2)CC1 ZINC000329728842 159115293 /nfs/dbraw/zinc/11/52/93/159115293.db2.gz PBSCNQABVBVYMK-UHFFFAOYSA-N 1 0 312.395 0.134 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000329791390 159119830 /nfs/dbraw/zinc/11/98/30/159119830.db2.gz UMQOMXOAEUZXQZ-DTZQCDIJSA-N 1 0 321.425 0.581 10 0 DCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330082864 159140117 /nfs/dbraw/zinc/14/01/17/159140117.db2.gz QGECHODZHFFSTK-VXGBXAGGSA-N 1 0 305.382 0.173 10 0 DCAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H]3C3CC3)C2=O)n(C)n1 ZINC000330273280 159156357 /nfs/dbraw/zinc/15/63/57/159156357.db2.gz YYALZHVTYGCMRA-VNHYZAJKSA-N 1 0 304.394 0.991 10 0 DCAERO CC[C@@H]1CC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000330280237 159156441 /nfs/dbraw/zinc/15/64/41/159156441.db2.gz SEHQRFJLGKKKGM-CQSZACIVSA-N 1 0 303.410 1.000 10 0 DCAERO C[C@@H](CNC(=O)C[C@H]1CCCCNC1=O)N1CC[NH+](C)CC1 ZINC000332746321 159212896 /nfs/dbraw/zinc/21/28/96/159212896.db2.gz JFZWWQLTNGMBAO-UONOGXRCSA-N 1 0 310.442 0.045 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000333021078 159218933 /nfs/dbraw/zinc/21/89/33/159218933.db2.gz AQOORGMCADEKHB-ZFWWWQNUSA-N 1 0 324.469 0.528 10 0 DCAERO C[NH+](C)CCOC1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000360296885 159265933 /nfs/dbraw/zinc/26/59/33/159265933.db2.gz RNMZCDTZKVRBST-UHFFFAOYSA-N 1 0 309.414 0.704 10 0 DCAERO O=C(c1coc(Br)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366990998 159302621 /nfs/dbraw/zinc/30/26/21/159302621.db2.gz WCWQYMMKHBSDCT-BDAKNGLRSA-N 1 0 301.140 0.855 10 0 DCAERO COc1ccncc1CN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750794 159354203 /nfs/dbraw/zinc/35/42/03/159354203.db2.gz BZXCTHLMQTXLFG-INIZCTEOSA-N 1 0 318.377 0.995 10 0 DCAERO O=C(N[C@H](CO)c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367868501 159361544 /nfs/dbraw/zinc/36/15/44/159361544.db2.gz FRSFPVNFLVTLJA-HUUCEWRRSA-N 1 0 323.824 0.880 10 0 DCAERO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000408023172 160013603 /nfs/dbraw/zinc/01/36/03/160013603.db2.gz QKFFKXOJAWUAEY-CHWSQXEVSA-N 1 0 317.455 0.211 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408047098 160022354 /nfs/dbraw/zinc/02/23/54/160022354.db2.gz ZADZALWRKHVXTA-UPJWGTAASA-N 1 0 313.398 0.084 10 0 DCAERO C[N@H+](CCO)C1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000408098776 160035964 /nfs/dbraw/zinc/03/59/64/160035964.db2.gz SLVXECPHDBUGGS-CQSZACIVSA-N 1 0 320.455 0.274 10 0 DCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([NH+](C)C)CC1 ZINC000408113955 160038948 /nfs/dbraw/zinc/03/89/48/160038948.db2.gz ZLUCBIZMQSYVHD-OLZOCXBDSA-N 1 0 310.442 0.125 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000408129271 160043370 /nfs/dbraw/zinc/04/33/70/160043370.db2.gz ZDQIUKNLLPUTNM-QWHCGFSZSA-N 1 0 311.426 0.158 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000408173638 160052635 /nfs/dbraw/zinc/05/26/35/160052635.db2.gz BLJPAEBSKPFREQ-ZDUSSCGKSA-N 1 0 324.421 0.899 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000408173636 160052732 /nfs/dbraw/zinc/05/27/32/160052732.db2.gz BLJPAEBSKPFREQ-CYBMUJFWSA-N 1 0 324.421 0.899 10 0 DCAERO NS(=O)(=O)N1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000408175408 160052832 /nfs/dbraw/zinc/05/28/32/160052832.db2.gz ZFCOWEHCKUDLCT-CYBMUJFWSA-N 1 0 309.435 0.613 10 0 DCAERO O=C(NC1CC1)C(=O)N1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000408200028 160058095 /nfs/dbraw/zinc/05/80/95/160058095.db2.gz YTAORZANBSHOEB-UHFFFAOYSA-N 1 0 305.422 0.990 10 0 DCAERO CN(C)C(=O)C1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000408273334 160073563 /nfs/dbraw/zinc/07/35/63/160073563.db2.gz BUZMBCVEFVFAFF-UHFFFAOYSA-N 1 0 323.437 0.426 10 0 DCAERO COc1cc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nn1C ZINC000408307010 160081478 /nfs/dbraw/zinc/08/14/78/160081478.db2.gz CGFBNPJUNVKRMS-GFCCVEGCSA-N 1 0 322.409 0.754 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(C(N)=O)co3)[C@H]2C1 ZINC000408381883 160095902 /nfs/dbraw/zinc/09/59/02/160095902.db2.gz ALKMFWSRPUFIOQ-MFKMUULPSA-N 1 0 306.366 0.614 10 0 DCAERO C[C@@H]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1O ZINC000408428667 160105791 /nfs/dbraw/zinc/10/57/91/160105791.db2.gz VJIOPNUGTIDPBS-ZIAGYGMSSA-N 1 0 312.458 0.425 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)=O)C2)[C@@H](C)C1 ZINC000408449989 160111340 /nfs/dbraw/zinc/11/13/40/160111340.db2.gz CQQLSHGHYPHSBU-QEJZJMRPSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)ncn2)C1 ZINC000408473109 160115895 /nfs/dbraw/zinc/11/58/95/160115895.db2.gz YWPMZYNRUIODEF-ZNMIVQPWSA-N 1 0 317.437 0.968 10 0 DCAERO 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ACIRCEKUKVDAIN-GFCCVEGCSA-N 1 0 311.426 0.349 10 0 DCAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153439655 287050148 /nfs/dbraw/zinc/05/01/48/287050148.db2.gz XAVANJNPCARVNN-BLLLJJGKSA-N 1 0 322.409 0.625 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(N)nc(N(C)C)n2)[C@H](C)C1 ZINC000177127505 287053415 /nfs/dbraw/zinc/05/34/15/287053415.db2.gz WDBJZEWIBNADIG-VXGBXAGGSA-N 1 0 307.446 0.682 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)[C@@H](C)C1 ZINC000245410140 287068692 /nfs/dbraw/zinc/06/86/92/287068692.db2.gz POPWOOCNVHLRJF-QWHCGFSZSA-N 1 0 308.430 0.985 10 0 DCAERO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248555374 287098153 /nfs/dbraw/zinc/09/81/53/287098153.db2.gz KJTVTIHKXCAZLB-GHMZBOCLSA-N 1 0 322.409 0.359 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249535894 287113095 /nfs/dbraw/zinc/11/30/95/287113095.db2.gz CKNKPICKFBENBV-DOMZBBRYSA-N 1 0 300.399 0.491 10 0 DCAERO 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307.442 0.971 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000227693324 545944141 /nfs/dbraw/zinc/94/41/41/545944141.db2.gz KHAIXBWVJIICEC-YRGRVCCFSA-N 1 0 319.471 0.838 10 0 DCAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000227720856 261153096 /nfs/dbraw/zinc/15/30/96/261153096.db2.gz QJWUEBIENXCJGF-GXTWGEPZSA-N 1 0 308.403 0.506 10 0 DCAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccnn2C)CC1 ZINC000360846407 261883048 /nfs/dbraw/zinc/88/30/48/261883048.db2.gz QUIFLFCUSHAGFO-UHFFFAOYSA-N 1 0 300.428 0.820 10 0 DCAERO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000367523377 271210574 /nfs/dbraw/zinc/21/05/74/271210574.db2.gz OHIVBWPFAQZHRR-VHDGCEQUSA-N 1 0 324.421 0.897 10 0 DCAERO COc1cccc2c1CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)C2 ZINC000459702916 272005332 /nfs/dbraw/zinc/00/53/32/272005332.db2.gz GBYTUWSLRYHENQ-KBPBESRZSA-N 1 0 302.378 0.795 10 0 DCAERO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)CC2 ZINC000459701783 272005335 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/nfs/dbraw/zinc/65/98/69/525659869.db2.gz RCDDFDSPVRFSJP-NXEZZACHSA-N 1 0 311.407 0.652 10 0 DCAERO CC(=O)N(C[C@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O)C1CC1 ZINC000328630529 526495966 /nfs/dbraw/zinc/49/59/66/526495966.db2.gz JLIBRMMRMFSUDB-CQSZACIVSA-N 1 0 322.409 0.608 10 0 DCAERO OC[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)ncn2)C1 ZINC000246047906 527590375 /nfs/dbraw/zinc/59/03/75/527590375.db2.gz CCZYJZIHXPMZLC-CABCVRRESA-N 1 0 317.437 0.970 10 0 DCAERO CCOC(=O)CNC(=O)C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000161971602 528813168 /nfs/dbraw/zinc/81/31/68/528813168.db2.gz ZRHVYIPHYIPOOD-OAHLLOKOSA-N 1 0 300.399 0.539 10 0 DCAERO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180130961 528913250 /nfs/dbraw/zinc/91/32/50/528913250.db2.gz APIMIHVTEHCQMC-PWSUYJOCSA-N 1 0 302.396 0.382 10 0 DCAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000054308665 545656743 /nfs/dbraw/zinc/65/67/43/545656743.db2.gz ISGAWTILNPKGIX-LLVKDONJSA-N 1 0 311.407 0.971 10 0 DCAERO 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/nfs/dbraw/zinc/97/85/17/545978517.db2.gz CXWCAHJUMWJZJQ-WCUVEOEZSA-N 1 0 317.389 0.591 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(OC2CCOCC2)cc1 ZINC000262074154 545978675 /nfs/dbraw/zinc/97/86/75/545978675.db2.gz BXHVMRLVQVNFKG-XJKSGUPXSA-N 1 0 320.389 0.555 10 0 DCAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262105283 545979457 /nfs/dbraw/zinc/97/94/57/545979457.db2.gz DZJCFYRFURNVDV-RWEMILLDSA-N 1 0 300.305 0.429 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Br)ccc1F ZINC000262136985 545979745 /nfs/dbraw/zinc/97/97/45/545979745.db2.gz GVKXKGDYNVZSEZ-CPCISQLKSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000262150384 545980313 /nfs/dbraw/zinc/98/03/13/545980313.db2.gz HQSVHCDAVJADCS-ONGXEEELSA-N 1 0 304.268 0.895 10 0 DCAERO COc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262215606 545981066 /nfs/dbraw/zinc/98/10/66/545981066.db2.gz JDSWDZLIKAECMC-YPMHNXCESA-N 1 0 316.361 0.191 10 0 DCAERO O=C(Cc1csc(-c2ccccn2)n1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262230451 545981227 /nfs/dbraw/zinc/98/12/27/545981227.db2.gz KFEYUTUCZJMMLM-ZWNOBZJWSA-N 1 0 318.402 0.444 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(OCC(F)(F)F)nc1 ZINC000262224926 545981366 /nfs/dbraw/zinc/98/13/66/545981366.db2.gz JUAKYAQWLBIRML-NXEZZACHSA-N 1 0 319.283 0.333 10 0 DCAERO CCN(CC)C(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262227567 545981409 /nfs/dbraw/zinc/98/14/09/545981409.db2.gz KAQKPAWJVHCAHU-HUUCEWRRSA-N 1 0 319.405 0.479 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cn2cccn2)cc1 ZINC000262250186 545982087 /nfs/dbraw/zinc/98/20/87/545982087.db2.gz LOERPBHKZSKJQY-GJZGRUSLSA-N 1 0 300.362 0.242 10 0 DCAERO Cc1noc(-c2ccccc2C(=O)NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000262264798 545982135 /nfs/dbraw/zinc/98/21/35/545982135.db2.gz MLYRNWWPZZEJDK-ZWNOBZJWSA-N 1 0 302.334 0.355 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2cccc(F)c2)CCOCC1 ZINC000262331851 545983459 /nfs/dbraw/zinc/98/34/59/545983459.db2.gz 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ZINC000398210332 546223769 /nfs/dbraw/zinc/22/37/69/546223769.db2.gz ZWAPSNZVJJDBNJ-LLVKDONJSA-N 1 0 303.428 0.188 10 0 DCAERO COC(=O)N[C@H](CC(C)C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158783578 657681692 /nfs/dbraw/zinc/68/16/92/657681692.db2.gz TZVRPZOMXXKHMC-CYBMUJFWSA-N 1 0 314.430 0.169 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCS(=O)(=O)CC ZINC000176341624 658043848 /nfs/dbraw/zinc/04/38/48/658043848.db2.gz ZXJRPVPCPUULOB-GFCCVEGCSA-N 1 0 305.444 0.547 10 0 DCAERO CCCN(CCn1nc2ccccn2c1=O)C1CC[NH2+]CC1 ZINC000261719687 658291898 /nfs/dbraw/zinc/29/18/98/658291898.db2.gz PZSJLXRZOLCDRZ-UHFFFAOYSA-N 1 0 303.410 0.960 10 0 DCAERO CN(CCOc1cccc(Cl)c1)S(=O)(=O)C1C[NH2+]C1 ZINC000722230404 659389462 /nfs/dbraw/zinc/38/94/62/659389462.db2.gz LEUMNMGSDRHVIB-UHFFFAOYSA-N 1 0 304.799 0.952 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000261709200 661517596 /nfs/dbraw/zinc/51/75/96/661517596.db2.gz JUJTTWAFAPWSFN-VIFPVBQESA-N 1 0 304.799 0.838 10 0 DCAERO 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MHERLZBWVYEJHO-IUODEOHRSA-N 1 0 321.425 0.579 10 0 DCAERO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H]3CC[NH2+]C3)cc21 ZINC000262311120 662321519 /nfs/dbraw/zinc/32/15/19/662321519.db2.gz PUGFPOJOSMOVEV-LBPRGKRZSA-N 1 0 323.418 0.483 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000346221319 663134833 /nfs/dbraw/zinc/13/48/33/663134833.db2.gz VPKLEZTYYZIAML-FPMFFAJLSA-N 1 0 311.451 0.993 10 0 DCAERO CO[C@]1(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CCS(=O)(=O)C1 ZINC000721262380 663208891 /nfs/dbraw/zinc/20/88/91/663208891.db2.gz UGIMUVWRTPSCFW-MJBXVCDLSA-N 1 0 305.440 0.983 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1CCCO1 ZINC000183092252 665973698 /nfs/dbraw/zinc/97/36/98/665973698.db2.gz GGOQJIPTODQYEN-OCCSQVGLSA-N 1 0 312.410 0.945 10 0 DCAERO O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000909191811 663786234 /nfs/dbraw/zinc/78/62/34/663786234.db2.gz UYWXJUUIWGCBCY-KBXIAJHMSA-N 1 0 304.394 0.691 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000223550553 664416336 /nfs/dbraw/zinc/41/63/36/664416336.db2.gz VLWDPOHCBFPTJA-UHFFFAOYSA-N 1 0 307.394 0.518 10 0 DCAERO CC(=O)NCCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171561552 664610087 /nfs/dbraw/zinc/61/00/87/664610087.db2.gz UBSLVCOQGNHEFM-QGZVFWFLSA-N 1 0 305.422 0.864 10 0 DCAERO CN1C(=O)OC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000062637489 664622076 /nfs/dbraw/zinc/62/20/76/664622076.db2.gz XJSMVJJFOUQRIW-AWEZNQCLSA-N 1 0 318.377 0.828 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352326787 665168702 /nfs/dbraw/zinc/16/87/02/665168702.db2.gz NYQXREPRRNECPY-KBPBESRZSA-N 1 0 311.451 0.852 10 0 DCAERO COc1ccc2c(c1)N(CN1CC[C@@H]([NH+](C)C)C1)C(=O)C2=O ZINC000170843101 665329474 /nfs/dbraw/zinc/32/94/74/665329474.db2.gz BHTGSSGCEUCINT-LLVKDONJSA-N 1 0 303.362 0.818 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)C(C)C ZINC000183681384 666092908 /nfs/dbraw/zinc/09/29/08/666092908.db2.gz 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/nfs/dbraw/zinc/98/41/90/666984190.db2.gz RSRRQVGOVXODPQ-QGZVFWFLSA-N 1 0 319.405 0.665 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]C2CCOCC2)C1 ZINC000702831370 667001518 /nfs/dbraw/zinc/00/15/18/667001518.db2.gz MRCJZDBDOJQGGW-YPMHNXCESA-N 1 0 300.399 0.983 10 0 DCAERO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702834395 667002023 /nfs/dbraw/zinc/00/20/23/667002023.db2.gz XFFHRWYSQJLFKK-DGCLKSJQSA-N 1 0 310.398 0.738 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000709230000 667445096 /nfs/dbraw/zinc/44/50/96/667445096.db2.gz LVWVLFWJNRYMFJ-GFCCVEGCSA-N 1 0 304.412 0.107 10 0 DCAERO Cn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000709820416 667445656 /nfs/dbraw/zinc/44/56/56/667445656.db2.gz UFQFSVLJBSXMHG-VXNVDRBHSA-N 1 0 312.317 0.178 10 0 DCAERO COC[C@]1(C(=O)N[C@H](C)COCc2ccccc2)C[NH2+]CCO1 ZINC000710691397 667446160 /nfs/dbraw/zinc/44/61/60/667446160.db2.gz QCFJKEVXQVBJFS-PBHICJAKSA-N 1 0 322.405 0.713 10 0 DCAERO COC[C@]1(C(=O)N2CCS[C@H](C(C)C)C2)C[NH2+]CCO1 ZINC000710798813 667446450 /nfs/dbraw/zinc/44/64/50/667446450.db2.gz UJZHIHMZKFPNKB-JSGCOSHPSA-N 1 0 302.440 0.591 10 0 DCAERO CN(CCCCCC[NH3+])C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000710803599 667446485 /nfs/dbraw/zinc/44/64/85/667446485.db2.gz ISINZWWYMPZUTE-GFCCVEGCSA-N 1 0 322.496 0.884 10 0 DCAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC000710850944 667446587 /nfs/dbraw/zinc/44/65/87/667446587.db2.gz LFNFQVFJJQAMMC-UHFFFAOYSA-N 1 0 313.398 0.302 10 0 DCAERO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711707543 667532230 /nfs/dbraw/zinc/53/22/30/667532230.db2.gz NFVVDAMXUOGQRX-NTZNESFSSA-N 1 0 318.464 0.308 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000717329244 667625801 /nfs/dbraw/zinc/62/58/01/667625801.db2.gz JURIWUDHGCJNJM-BPNCWPANSA-N 1 0 303.786 0.549 10 0 DCAERO CO[C@@H]1CN(CC[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)nn1 ZINC000886071883 667728318 /nfs/dbraw/zinc/72/83/18/667728318.db2.gz 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669947922 /nfs/dbraw/zinc/94/79/22/669947922.db2.gz BXEFIVYBJQJVQA-CQSZACIVSA-N 1 0 301.394 0.766 10 0 DCAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc2c(c1)OCO2 ZINC000187817014 669953684 /nfs/dbraw/zinc/95/36/84/669953684.db2.gz BRSMUMVPXAPKPE-SNVBAGLBSA-N 1 0 312.391 0.957 10 0 DCAERO [NH3+]C[C@@]1(CO)COCCN1Cc1ncc(Br)s1 ZINC000713711607 670166046 /nfs/dbraw/zinc/16/60/46/670166046.db2.gz PQWMCZSUMVJVIL-SNVBAGLBSA-N 1 0 322.228 0.428 10 0 DCAERO COC[C@]1(C(=O)N(C)CC(C)(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000713954198 670172824 /nfs/dbraw/zinc/17/28/24/670172824.db2.gz XPBIJPJCTBRMCF-ZDUSSCGKSA-N 1 0 306.428 0.037 10 0 DCAERO Cn1cc(Br)c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC000715860446 670224216 /nfs/dbraw/zinc/22/42/16/670224216.db2.gz WYSDXWCVUIJDER-UHFFFAOYSA-N 1 0 313.199 0.895 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc12 ZINC000193411429 670280063 /nfs/dbraw/zinc/28/00/63/670280063.db2.gz BOCMQTRHEYMROJ-TVQRCGJNSA-N 1 0 323.422 0.553 10 0 DCAERO COCC[N@@H+]1CCN(Cn2cc3[nH]cccc-3c2=O)C[C@@H]1C ZINC000190253585 670402434 /nfs/dbraw/zinc/40/24/34/670402434.db2.gz WTMQYNWXMSOOHH-ZDUSSCGKSA-N 1 0 304.394 0.647 10 0 DCAERO CCn1cnc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000717037000 670957712 /nfs/dbraw/zinc/95/77/12/670957712.db2.gz LODVXAJDXDRZNW-SECBINFHSA-N 1 0 308.354 0.426 10 0 DCAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[C@](O)(c3cn[nH]n3)C2)C1 ZINC000858766841 671040229 /nfs/dbraw/zinc/04/02/29/671040229.db2.gz UWYBFWLKPBHKTF-SWLSCSKDSA-N 1 0 322.413 0.140 10 0 DCAERO CS(=O)(=O)C1CC([NH2+][C@H]2CCCN3CCSC[C@H]23)C1 ZINC000718389257 685304190 /nfs/dbraw/zinc/30/41/90/685304190.db2.gz CAIBMYJTRGUWBF-IFWUJCSASA-N 1 0 304.481 0.731 10 0 DCAERO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719032197 685307862 /nfs/dbraw/zinc/30/78/62/685307862.db2.gz SUALUFXYDLNEGA-ZDUSSCGKSA-N 1 0 318.377 0.581 10 0 DCAERO O=C(CNCC(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720474976 685313354 /nfs/dbraw/zinc/31/33/54/685313354.db2.gz PSRLHLBNTBVTIG-NXEZZACHSA-N 1 0 311.373 0.834 10 0 DCAERO NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721021036 685317537 /nfs/dbraw/zinc/31/75/37/685317537.db2.gz OKAKAUTVHUBWGE-YCPHGPKFSA-N 1 0 301.390 0.746 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCS(C)(=O)=O)C1 ZINC000246362590 685163921 /nfs/dbraw/zinc/16/39/21/685163921.db2.gz INGXEMLZCNXMIE-VXGBXAGGSA-N 1 0 305.444 0.401 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1CC ZINC000246987282 685168795 /nfs/dbraw/zinc/16/87/95/685168795.db2.gz KMNFUSHEFOVMAB-KBPBESRZSA-N 1 0 312.410 0.899 10 0 DCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CCN1c1nccn2cnnc12 ZINC000270557761 685191596 /nfs/dbraw/zinc/19/15/96/685191596.db2.gz WIMKVYPXWPVPPF-MCIONIFRSA-N 1 0 316.409 0.938 10 0 DCAERO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000119060832 1176686116 /nfs/dbraw/zinc/68/61/16/1176686116.db2.gz GVFWPNGFULNAJG-CABCVRRESA-N 1 0 314.426 0.391 10 0 DCAERO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000156564009 1180557610 /nfs/dbraw/zinc/55/76/10/1180557610.db2.gz IQUDJFCYLGJTRE-ZDUSSCGKSA-N 1 0 307.398 0.467 10 0 DCAERO CC(=O)N1CCN(CC[NH2+]Cc2cnc3ccccn23)CC1 ZINC000236622224 1180673657 /nfs/dbraw/zinc/67/36/57/1180673657.db2.gz PNWDDRXXQFJSDD-UHFFFAOYSA-N 1 0 301.394 0.588 10 0 DCAERO O=C(Cn1nnc2ccccc21)NCC[N@@H+]1CCCOCC1 ZINC000189388070 1187894582 /nfs/dbraw/zinc/89/45/82/1187894582.db2.gz MLCIBOSFRBJCFG-UHFFFAOYSA-N 1 0 303.366 0.270 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C)C1 ZINC000194015555 1188114215 /nfs/dbraw/zinc/11/42/15/1188114215.db2.gz CCOFPPGOSJLGMC-QWHCGFSZSA-N 1 0 317.393 0.345 10 0 DCAERO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000405141388 774152001 /nfs/dbraw/zinc/15/20/01/774152001.db2.gz FSWBDIRPVXKCRN-UHFFFAOYSA-N 1 0 323.462 0.790 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCO1 ZINC000121804540 282124538 /nfs/dbraw/zinc/12/45/38/282124538.db2.gz ZLOXTZULYMXTHX-QWHCGFSZSA-N 1 0 307.398 0.239 10 0 DCAERO Cc1nn(C)c(C)c1CN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153031516 282259620 /nfs/dbraw/zinc/25/96/20/282259620.db2.gz MZWKXSWKLWEKCZ-UHFFFAOYSA-N 1 0 322.453 0.696 10 0 DCAERO Cn1nccc1C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092810535 185342689 /nfs/dbraw/zinc/34/26/89/185342689.db2.gz QKFIVXXKERWXCP-UHFFFAOYSA-N 1 0 317.393 0.197 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2ccnc2)CC1 ZINC000181526929 199312295 /nfs/dbraw/zinc/31/22/95/199312295.db2.gz UZHKDXQZSBAOBR-CQSZACIVSA-N 1 0 323.441 0.617 10 0 DCAERO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000183838890 529840089 /nfs/dbraw/zinc/84/00/89/529840089.db2.gz GQJWZFWPDMAWRR-SNVBAGLBSA-N 1 0 313.423 0.757 10 0 DCAERO Cn1c(CN2CCC([N@H+](C)CCCO)CC2)nnc1C1CC1 ZINC000172305081 529893804 /nfs/dbraw/zinc/89/38/04/529893804.db2.gz QEEZHDUKRSBMLJ-UHFFFAOYSA-N 1 0 307.442 0.971 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)C1 ZINC000261723949 290810490 /nfs/dbraw/zinc/81/04/90/290810490.db2.gz LUZXKDLRPDDEKE-QLFBSQMISA-N 1 0 323.437 0.757 10 0 DCAERO Cc1cc(=O)n(C)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182012381 199374214 /nfs/dbraw/zinc/37/42/14/199374214.db2.gz POFTUXBDDYZASK-CHWSQXEVSA-N 1 0 322.409 0.613 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000083551093 192372723 /nfs/dbraw/zinc/37/27/23/192372723.db2.gz OBYMJKLALPZKQY-NXEZZACHSA-N 1 0 318.830 0.931 10 0 DCAERO O=C(Nc1cccnc1-n1cncn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892299 198002922 /nfs/dbraw/zinc/00/29/22/198002922.db2.gz CNVJRNIOADUXFZ-LBPRGKRZSA-N 1 0 313.365 0.974 10 0 DCAERO O=C(Nc1cccnc1-n1cncn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892298 198002990 /nfs/dbraw/zinc/00/29/90/198002990.db2.gz CNVJRNIOADUXFZ-GFCCVEGCSA-N 1 0 313.365 0.974 10 0 DCAERO CO[C@H](C)C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000182045024 199378102 /nfs/dbraw/zinc/37/81/02/199378102.db2.gz OADCUQUXRXRQFF-GFCCVEGCSA-N 1 0 322.434 0.909 10 0 DCAERO O=C(CNC(=O)c1ccccn1)NCCC[NH+]1CCCCC1 ZINC000172496714 198106050 /nfs/dbraw/zinc/10/60/50/198106050.db2.gz ARANAPLKPXSXSY-UHFFFAOYSA-N 1 0 304.394 0.804 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2=O)n(C)n1 ZINC000173488518 198220095 /nfs/dbraw/zinc/22/00/95/198220095.db2.gz FMSANZPZEPXHMA-CQSZACIVSA-N 1 0 305.426 0.860 10 0 DCAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)NC)nn2)C[C@@H]1CC ZINC000173915766 198268200 /nfs/dbraw/zinc/26/82/00/198268200.db2.gz SIXZYPNZQBIIGL-ZDUSSCGKSA-N 1 0 321.425 0.773 10 0 DCAERO C[NH+]1CCN(Cc2ccc(C(=O)NC(C)(C)C(N)=O)cc2)CC1 ZINC000073027417 191270228 /nfs/dbraw/zinc/27/02/28/191270228.db2.gz KPMOUDBPJKQMKS-UHFFFAOYSA-N 1 0 318.421 0.428 10 0 DCAERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000333481759 291004445 /nfs/dbraw/zinc/00/44/45/291004445.db2.gz BNBSLBXUFCPZCX-NOOOWODRSA-N 1 0 303.428 0.188 10 0 DCAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091543994 545718610 /nfs/dbraw/zinc/71/86/10/545718610.db2.gz CEOIHGMZMTZROP-DLOVCJGASA-N 1 0 311.407 0.639 10 0 DCAERO NC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408454461 283292134 /nfs/dbraw/zinc/29/21/34/283292134.db2.gz XSTIYEUFSABIQT-UONOGXRCSA-N 1 0 309.410 0.496 10 0 DCAERO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179357414 199020988 /nfs/dbraw/zinc/02/09/88/199020988.db2.gz BZWXTVURYIKNIK-NSHDSACASA-N 1 0 306.366 0.791 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC000456066104 283334597 /nfs/dbraw/zinc/33/45/97/283334597.db2.gz SEYHUSFFSRKDBA-VXGBXAGGSA-N 1 0 305.444 0.305 10 0 DCAERO NC(=O)NC(=O)OCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000180480430 199164093 /nfs/dbraw/zinc/16/40/93/199164093.db2.gz CTJWFINJOKGFGM-UHFFFAOYSA-N 1 0 309.370 0.790 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1nc2ccccn2c1=O ZINC000155473172 237042829 /nfs/dbraw/zinc/04/28/29/237042829.db2.gz SUMUBMVEQDMKHM-RYUDHWBXSA-N 1 0 303.366 0.047 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000159016063 237073389 /nfs/dbraw/zinc/07/33/89/237073389.db2.gz FUEQWJOPVBKRCP-ZDUSSCGKSA-N 1 0 319.471 0.400 10 0 DCAERO CCc1nnc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000171589343 237133277 /nfs/dbraw/zinc/13/32/77/237133277.db2.gz NFCVVIHURSVVKJ-CYBMUJFWSA-N 1 0 309.458 0.902 10 0 DCAERO O=C(c1cccc2c1OCC(=O)N2)N1CC[NH+]2CCC1CC2 ZINC000188607169 200274311 /nfs/dbraw/zinc/27/43/11/200274311.db2.gz DNMIOOXLNWCPNH-UHFFFAOYSA-N 1 0 301.346 0.938 10 0 DCAERO C[C@@H](CNC(=O)c1cn2ccnc2s1)N1CC[NH+](C)CC1 ZINC000188519553 200260632 /nfs/dbraw/zinc/26/06/32/200260632.db2.gz JBSGUNPBTOSETG-NSHDSACASA-N 1 0 307.423 0.762 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)nn1 ZINC000154293791 291212823 /nfs/dbraw/zinc/21/28/23/291212823.db2.gz LJFQJXHZVQLCHO-TZMCWYRMSA-N 1 0 309.414 0.408 10 0 DCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000423666536 240234899 /nfs/dbraw/zinc/23/48/99/240234899.db2.gz JYCLSGXJWWGGLK-SCZZXKLOSA-N 1 0 314.183 0.559 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457694407 241025977 /nfs/dbraw/zinc/02/59/77/241025977.db2.gz PXPMRTWFVWFUTE-MGPQQGTHSA-N 1 0 324.429 0.059 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000300157135 284021197 /nfs/dbraw/zinc/02/11/97/284021197.db2.gz BOSRUZAMQIEYGD-TUAOUCFPSA-N 1 0 304.412 0.294 10 0 DCAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000569423897 291478123 /nfs/dbraw/zinc/47/81/23/291478123.db2.gz OQBXOVLGXNTGJP-NWDGAFQWSA-N 1 0 305.378 0.118 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCCn2ccnn2)c1 ZINC000571756570 291530427 /nfs/dbraw/zinc/53/04/27/291530427.db2.gz UNRDVWSWVPRFRT-HNNXBMFYSA-N 1 0 318.377 0.900 10 0 DCAERO COc1cc(NS(=O)(=O)N2CC[NH2+]CC2)cc(OC)c1 ZINC000019233397 182110923 /nfs/dbraw/zinc/11/09/23/182110923.db2.gz ZZTVEIMTKREYFL-UHFFFAOYSA-N 1 0 301.368 0.266 10 0 DCAERO COc1ccc(OC)c(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000020014262 182178492 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/nfs/dbraw/zinc/15/98/60/396159860.db2.gz XBJAKBXEWZYSLN-ZFWWWQNUSA-N 1 0 317.389 0.629 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnn(-c3cccnc3)c2)n1 ZINC000263265596 396210368 /nfs/dbraw/zinc/21/03/68/396210368.db2.gz RMAYLGAIBBUNOS-ZDUSSCGKSA-N 1 0 311.349 0.893 10 0 DCAERO CS[C@H](CO)[C@H](C)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262716024 396175139 /nfs/dbraw/zinc/17/51/39/396175139.db2.gz GTJCGZVXCFEEOA-GMXVVIOVSA-N 1 0 312.439 0.650 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000177804721 396183742 /nfs/dbraw/zinc/18/37/42/396183742.db2.gz FRRRBBBPBXEIQU-LBPRGKRZSA-N 1 0 323.422 0.857 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075962086 396190856 /nfs/dbraw/zinc/19/08/56/396190856.db2.gz MFLDMHDWQPTZRV-RBSFLKMASA-N 1 0 313.442 0.011 10 0 DCAERO C[C@H]1CCN(CC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000076119978 396196533 /nfs/dbraw/zinc/19/65/33/396196533.db2.gz QBVGSNGOEPJWTO-ZDUSSCGKSA-N 1 0 304.394 0.778 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178602797 396200300 /nfs/dbraw/zinc/20/03/00/396200300.db2.gz FREADVHVZOTKJZ-CQSZACIVSA-N 1 0 302.378 0.508 10 0 DCAERO O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178708144 396204765 /nfs/dbraw/zinc/20/47/65/396204765.db2.gz IJNIBASBPPPWMK-OAHLLOKOSA-N 1 0 316.405 0.898 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181523527 396239452 /nfs/dbraw/zinc/23/94/52/396239452.db2.gz KSJCCAHPMWAERP-LOWVWBTDSA-N 1 0 322.409 0.354 10 0 DCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000183223661 396264634 /nfs/dbraw/zinc/26/46/34/396264634.db2.gz AMHRPEAYGCNEAA-GUTXKFCHSA-N 1 0 313.442 0.451 10 0 DCAERO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1C[NH2+]C1 ZINC000263319316 396213700 /nfs/dbraw/zinc/21/37/00/396213700.db2.gz QZESSFVZGGTGDB-LBPRGKRZSA-N 1 0 311.744 0.920 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCNC(=O)c2ccsc2)n1 ZINC000263317123 396213722 /nfs/dbraw/zinc/21/37/22/396213722.db2.gz ZQAQLGLCZNKYSP-LLVKDONJSA-N 1 0 321.406 0.680 10 0 DCAERO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179180367 396222902 /nfs/dbraw/zinc/22/29/02/396222902.db2.gz YOUJAMPMTSFRRV-MNOVXSKESA-N 1 0 314.769 0.715 10 0 DCAERO O=C([C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)N1CCOCC1 ZINC000179892966 396230209 /nfs/dbraw/zinc/23/02/09/396230209.db2.gz DGDDPCUAWUSVDH-ZDUSSCGKSA-N 1 0 308.378 0.843 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000185049430 396316125 /nfs/dbraw/zinc/31/61/25/396316125.db2.gz NNFICODHTXDYBC-HUUCEWRRSA-N 1 0 314.474 0.815 10 0 DCAERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185150396 396319596 /nfs/dbraw/zinc/31/95/96/396319596.db2.gz OQCMTLCUWLCJFU-CVEARBPZSA-N 1 0 306.406 0.851 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184315362 396289996 /nfs/dbraw/zinc/28/99/96/396289996.db2.gz UYSHLKZBZFDZCC-CYBMUJFWSA-N 1 0 321.425 0.919 10 0 DCAERO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1COc2ccccc21 ZINC000185577200 396330627 /nfs/dbraw/zinc/33/06/27/396330627.db2.gz FRCSIXBJBNKTGM-FZMZJTMJSA-N 1 0 315.373 0.738 10 0 DCAERO C[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1CCO ZINC000187656469 396372044 /nfs/dbraw/zinc/37/20/44/396372044.db2.gz SQDBQWCRMDMMRH-CQSZACIVSA-N 1 0 301.394 0.766 10 0 DCAERO CC(=O)N1CC(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000188422272 396382495 /nfs/dbraw/zinc/38/24/95/396382495.db2.gz ZUCXCIKGRTZSER-INIZCTEOSA-N 1 0 322.453 0.093 10 0 DCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000188774359 396385435 /nfs/dbraw/zinc/38/54/35/396385435.db2.gz ZDSLXZBPEQGMMK-DTWKUNHWSA-N 1 0 315.286 0.731 10 0 DCAERO O=C(CNC(=O)c1ccc(F)cc1)N1CC[NH+]2CCC1CC2 ZINC000188861153 396387720 /nfs/dbraw/zinc/38/77/20/396387720.db2.gz AABJXFUAZIZCPL-UHFFFAOYSA-N 1 0 305.353 0.862 10 0 DCAERO COCCN1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1=O ZINC000189312526 396393494 /nfs/dbraw/zinc/39/34/94/396393494.db2.gz YHVWAJMVKXFKBX-UHFFFAOYSA-N 1 0 320.393 0.469 10 0 DCAERO CN1C(=O)C[C@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1=O ZINC000189381705 396394233 /nfs/dbraw/zinc/39/42/33/396394233.db2.gz HCYHJMYPOVVFNN-LBPRGKRZSA-N 1 0 303.366 0.166 10 0 DCAERO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000190165001 396402621 /nfs/dbraw/zinc/40/26/21/396402621.db2.gz KCSRHVFKKZDAJV-OAHLLOKOSA-N 1 0 312.458 0.834 10 0 DCAERO C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)CC[N@@H+]1CCO ZINC000190241284 396403655 /nfs/dbraw/zinc/40/36/55/396403655.db2.gz GBKBQVOLAOQMAL-ZDUSSCGKSA-N 1 0 301.394 0.970 10 0 DCAERO C[C@H]1CN(Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1CCO ZINC000190244239 396403721 /nfs/dbraw/zinc/40/37/21/396403721.db2.gz SSDXOIONOADEBC-AWEZNQCLSA-N 1 0 315.421 0.981 10 0 DCAERO O=C(NC1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1)C1CC1 ZINC000190273127 396404205 /nfs/dbraw/zinc/40/42/05/396404205.db2.gz LGNMFLWCLVQGPH-LLVKDONJSA-N 1 0 306.410 0.391 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000193124890 396444468 /nfs/dbraw/zinc/44/44/68/396444468.db2.gz HHZCEUACENZQDS-GXTWGEPZSA-N 1 0 312.410 0.945 10 0 DCAERO FC(F)(F)Cn1nnnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000190846735 396412558 /nfs/dbraw/zinc/41/25/58/396412558.db2.gz OCPOULNZQHFKJH-UHFFFAOYSA-N 1 0 304.320 0.906 10 0 DCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000191473201 396419567 /nfs/dbraw/zinc/41/95/67/396419567.db2.gz DEBUAFSBMIJBEY-ZIAGYGMSSA-N 1 0 310.442 0.884 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000192680161 396435625 /nfs/dbraw/zinc/43/56/25/396435625.db2.gz CWVDPHWELUXSLR-HZPDHXFCSA-N 1 0 303.362 0.568 10 0 DCAERO Cc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC000580905587 396510459 /nfs/dbraw/zinc/51/04/59/396510459.db2.gz MWZPFVGFRZKYRO-CABCVRRESA-N 1 0 321.425 0.676 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000193409880 396450568 /nfs/dbraw/zinc/45/05/68/396450568.db2.gz UACKXSVZRCFJHW-GXFFZTMASA-N 1 0 311.407 0.323 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]n1 ZINC000372051656 396485273 /nfs/dbraw/zinc/48/52/73/396485273.db2.gz PJJFNLIEMWNLRA-CQDKDKBSSA-N 1 0 321.425 0.812 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000372472055 396520270 /nfs/dbraw/zinc/52/02/70/396520270.db2.gz LCPRMGCGSJOMAQ-SYQHCUMBSA-N 1 0 308.426 0.589 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527328849 396534722 /nfs/dbraw/zinc/53/47/22/396534722.db2.gz GMMNTQPFEKAVOH-LBPRGKRZSA-N 1 0 307.398 0.433 10 0 DCAERO CNC(=O)c1cccnc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000301395418 396715674 /nfs/dbraw/zinc/71/56/74/396715674.db2.gz FDUBKHKWVAWPNY-CYBMUJFWSA-N 1 0 320.437 0.970 10 0 DCAERO C[C@H](CC[S@@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610821119 396767826 /nfs/dbraw/zinc/76/78/26/396767826.db2.gz GEGSGBVUBDMDSG-WSVYEEACSA-N 1 0 315.443 0.723 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773981 396914693 /nfs/dbraw/zinc/91/46/93/396914693.db2.gz YBDAUXRZUKBHQA-XHSDSOJGSA-N 1 0 303.406 0.551 10 0 DCAERO CCO[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCCC2 ZINC000333435293 396925141 /nfs/dbraw/zinc/92/51/41/396925141.db2.gz VFSXBWZEXIECQW-XUXIUFHCSA-N 1 0 311.426 0.698 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000625771761 397001009 /nfs/dbraw/zinc/00/10/09/397001009.db2.gz PKLCVWZRXCEUSM-KGLIPLIRSA-N 1 0 311.451 0.647 10 0 DCAERO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000571967088 397006234 /nfs/dbraw/zinc/00/62/34/397006234.db2.gz LLEAAJRQVUUFOQ-KKOKHZNYSA-N 1 0 306.428 0.033 10 0 DCAERO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])ccc21 ZINC000381474563 397271976 /nfs/dbraw/zinc/27/19/76/397271976.db2.gz MAASECIUSOCRCO-UWVGGRQHSA-N 1 0 311.407 0.610 10 0 DCAERO C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)[NH3+] ZINC000381447138 397272893 /nfs/dbraw/zinc/27/28/93/397272893.db2.gz GFVFTHFGVFOAAQ-DTWKUNHWSA-N 1 0 306.409 0.104 10 0 DCAERO CC(=O)c1cc(NC(=O)C(=O)NCCOCCC[NH3+])ccc1C ZINC000626894294 397278660 /nfs/dbraw/zinc/27/86/60/397278660.db2.gz BSPSRNGDGHYFMS-UHFFFAOYSA-N 1 0 321.377 0.618 10 0 DCAERO CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388286033 397296308 /nfs/dbraw/zinc/29/63/08/397296308.db2.gz TUGMQYDJVRGHCH-GRYCIOLGSA-N 1 0 308.469 0.568 10 0 DCAERO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000574306018 397255577 /nfs/dbraw/zinc/25/55/77/397255577.db2.gz PDDJVTKMYKZRPX-ABAIWWIYSA-N 1 0 308.382 0.061 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466902047 397445888 /nfs/dbraw/zinc/44/58/88/397445888.db2.gz DGWKSRWVVYWVPG-RWMBFGLXSA-N 1 0 314.430 0.296 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000371296983 397569197 /nfs/dbraw/zinc/56/91/97/397569197.db2.gz FSSLTBBBWIXLCP-SRVKXCTJSA-N 1 0 310.398 0.211 10 0 DCAERO CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(N)cc1 ZINC000606304004 397678944 /nfs/dbraw/zinc/67/89/44/397678944.db2.gz ZZOZSXZQKJPBPB-UHFFFAOYSA-N 1 0 312.439 0.137 10 0 DCAERO Cc1nc(SCCC(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000608764199 397754219 /nfs/dbraw/zinc/75/42/19/397754219.db2.gz LVIRAKBXTGUHHT-UHFFFAOYSA-N 1 0 323.426 0.992 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H](C)CO)CC1 ZINC000610369909 397816880 /nfs/dbraw/zinc/81/68/80/397816880.db2.gz XEOICKLUJITROI-GFCCVEGCSA-N 1 0 300.399 0.348 10 0 DCAERO CCOCCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1CC ZINC000262001780 286086644 /nfs/dbraw/zinc/08/66/44/286086644.db2.gz NMKYUGDACQWGTI-ZNMIVQPWSA-N 1 0 313.442 0.452 10 0 DCAERO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000262509342 292202964 /nfs/dbraw/zinc/20/29/64/292202964.db2.gz MUPYAWDDJIICGA-HZPDHXFCSA-N 1 0 303.406 0.928 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)N(C(C)=O)C1 ZINC000329880813 286103285 /nfs/dbraw/zinc/10/32/85/286103285.db2.gz NWNALALMWRQZQY-SOUVJXGZSA-N 1 0 309.410 0.319 10 0 DCAERO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](C)CS(C)(=O)=O)C1(C)C ZINC000189965871 286304125 /nfs/dbraw/zinc/30/41/25/286304125.db2.gz DRHXEBSFCLXHTE-BZPMIXESSA-N 1 0 307.456 0.823 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246455259 286652867 /nfs/dbraw/zinc/65/28/67/286652867.db2.gz MKGMLZZLGFYTLV-VXGBXAGGSA-N 1 0 305.444 0.257 10 0 DCAERO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000066635203 158035562 /nfs/dbraw/zinc/03/55/62/158035562.db2.gz LKCDLNHDRGNXAQ-LLVKDONJSA-N 1 0 303.428 0.011 10 0 DCAERO C[NH+](C)C1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000078992827 158076744 /nfs/dbraw/zinc/07/67/44/158076744.db2.gz MJHOKTNSSKZREE-JTQLQIEISA-N 1 0 321.343 0.950 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(CC(=O)NC(=O)NC3CC3)CC2)CCO1 ZINC000079490511 158078693 /nfs/dbraw/zinc/07/86/93/158078693.db2.gz GLGPSNRRJYKTHA-GFCCVEGCSA-N 1 0 324.425 0.160 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000091765800 158109271 /nfs/dbraw/zinc/10/92/71/158109271.db2.gz NOQOCYZXJWVNIJ-ZIAGYGMSSA-N 1 0 318.425 0.791 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000109705681 158137893 /nfs/dbraw/zinc/13/78/93/158137893.db2.gz VPJLLMPBUCSISU-GFCCVEGCSA-N 1 0 313.423 0.698 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000109706164 158138399 /nfs/dbraw/zinc/13/83/99/158138399.db2.gz LVFAXJMNTOIVGE-UHFFFAOYSA-N 1 0 311.407 0.596 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000113267063 158146767 /nfs/dbraw/zinc/14/67/67/158146767.db2.gz SKJKUNZLYQYBFD-LSDHHAIUSA-N 1 0 323.437 0.520 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)NC1CC1 ZINC000113595388 158148892 /nfs/dbraw/zinc/14/88/92/158148892.db2.gz ZKSVLSKXNRAVFU-GXTWGEPZSA-N 1 0 308.426 0.923 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)NCC[C@@H](C)O)CC1 ZINC000114822993 158158209 /nfs/dbraw/zinc/15/82/09/158158209.db2.gz LGJHZLLLUOKLBG-CQSZACIVSA-N 1 0 300.447 0.474 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)NCC[N@H+](C)CCOC)CC2 ZINC000114954905 158160131 /nfs/dbraw/zinc/16/01/31/158160131.db2.gz CHIYJPIQRJKPIN-GFCCVEGCSA-N 1 0 324.429 0.033 10 0 DCAERO COC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116248652 158164281 /nfs/dbraw/zinc/16/42/81/158164281.db2.gz RDKRYWUCLNMXNX-JSGCOSHPSA-N 1 0 320.393 0.764 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CCO1 ZINC000116788825 158167190 /nfs/dbraw/zinc/16/71/90/158167190.db2.gz SYSKLYOXOCFBKN-LBPRGKRZSA-N 1 0 302.378 0.894 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCO1 ZINC000116798034 158167542 /nfs/dbraw/zinc/16/75/42/158167542.db2.gz CSFJIUGFKMZMQX-OAHLLOKOSA-N 1 0 319.405 0.134 10 0 DCAERO CN(C1CCCCC1)S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900960 158168335 /nfs/dbraw/zinc/16/83/35/158168335.db2.gz AFSPGBFIBLVCNY-CQSZACIVSA-N 1 0 319.471 0.758 10 0 DCAERO C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000120933277 158205668 /nfs/dbraw/zinc/20/56/68/158205668.db2.gz CEQNGHSJCWLWQS-OAHLLOKOSA-N 1 0 303.406 0.803 10 0 DCAERO C[N@@H+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C2(CCCCC2)C1 ZINC000124760947 158246680 /nfs/dbraw/zinc/24/66/80/158246680.db2.gz OVIIDLONNNAAFA-NSHDSACASA-N 1 0 308.382 0.061 10 0 DCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000125930913 158260869 /nfs/dbraw/zinc/26/08/69/158260869.db2.gz PTPULPKHYWYQPH-LSDHHAIUSA-N 1 0 301.390 0.556 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000126515564 158266827 /nfs/dbraw/zinc/26/68/27/158266827.db2.gz HACCVBWNWPTACE-GFCCVEGCSA-N 1 0 305.382 0.180 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000126662554 158267388 /nfs/dbraw/zinc/26/73/88/158267388.db2.gz IYBDYSVKIMOGBL-RYUDHWBXSA-N 1 0 320.459 0.050 10 0 DCAERO CCS(=O)(=O)NCCC[NH+]1CCC(n2cncn2)CC1 ZINC000132038412 158307597 /nfs/dbraw/zinc/30/75/97/158307597.db2.gz ZYDUAJXSPKNBDU-UHFFFAOYSA-N 1 0 301.416 0.244 10 0 DCAERO C[C@H]1C[NH+](CCCNc2cncc(OCCO)n2)C[C@H](C)O1 ZINC000133068733 158316174 /nfs/dbraw/zinc/31/61/74/158316174.db2.gz RQDUCOYAXAITQN-STQMWFEESA-N 1 0 310.398 0.759 10 0 DCAERO CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161542577 158356897 /nfs/dbraw/zinc/35/68/97/158356897.db2.gz SCXOPJKJVWCUIF-FKJOKYEKSA-N 1 0 317.393 0.504 10 0 DCAERO CC(C)([NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000166489300 158366453 /nfs/dbraw/zinc/36/64/53/158366453.db2.gz RYEXBVIVOBCNAJ-UHFFFAOYSA-N 1 0 301.341 0.660 10 0 DCAERO O=C(N[C@@H]1CCCOC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000171615041 158384489 /nfs/dbraw/zinc/38/44/89/158384489.db2.gz KMFVPVYIZHVQRE-OAHLLOKOSA-N 1 0 311.426 0.919 10 0 DCAERO COC(=O)CCCc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000171930706 158388765 /nfs/dbraw/zinc/38/87/65/158388765.db2.gz ZVQKKWALKXKCPQ-GFCCVEGCSA-N 1 0 308.382 0.845 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2 ZINC000172040723 158390146 /nfs/dbraw/zinc/39/01/46/158390146.db2.gz XCOVQMJXOVWHNO-NEPJUHHUSA-N 1 0 306.414 0.501 10 0 DCAERO 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ZINC000316000173 159001982 /nfs/dbraw/zinc/00/19/82/159001982.db2.gz DWRYEDQPIXSUER-LBPRGKRZSA-N 1 0 304.394 0.763 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328727273 159025041 /nfs/dbraw/zinc/02/50/41/159025041.db2.gz VASKARZXVPRSAI-LSDHHAIUSA-N 1 0 302.378 0.565 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCCC3)[C@H]2C1 ZINC000328876800 159037363 /nfs/dbraw/zinc/03/73/63/159037363.db2.gz ZXSAPMAZIVVKEY-QWHCGFSZSA-N 1 0 303.428 0.122 10 0 DCAERO CCn1cc([C@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CCO2)cn1 ZINC000328991867 159049885 /nfs/dbraw/zinc/04/98/85/159049885.db2.gz SOWMQYCPWVKLFP-SOUVJXGZSA-N 1 0 322.409 0.522 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4n[nH]nc43)C[C@@H]21 ZINC000329206642 159072915 /nfs/dbraw/zinc/07/29/15/159072915.db2.gz XLMYXWJTRSANKT-QWHCGFSZSA-N 1 0 319.340 0.642 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000329368604 159086272 /nfs/dbraw/zinc/08/62/72/159086272.db2.gz ADCUVCXGBRGPFE-KBPBESRZSA-N 1 0 319.471 0.111 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000329368605 159086565 /nfs/dbraw/zinc/08/65/65/159086565.db2.gz ADCUVCXGBRGPFE-KGLIPLIRSA-N 1 0 319.471 0.111 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1=O ZINC000329494549 159096972 /nfs/dbraw/zinc/09/69/72/159096972.db2.gz UNHHELGRAWBVLN-KGLIPLIRSA-N 1 0 309.410 0.034 10 0 DCAERO Cc1nccc(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)n1 ZINC000329493970 159097381 /nfs/dbraw/zinc/09/73/81/159097381.db2.gz FDSIKRIRHVQIKQ-BPLDGKMQSA-N 1 0 302.378 0.859 10 0 DCAERO Cn1ccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1=O ZINC000329742518 159115988 /nfs/dbraw/zinc/11/59/88/159115988.db2.gz WPCDYYZQHOOXGM-RYUDHWBXSA-N 1 0 302.334 0.971 10 0 DCAERO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000329946098 159131495 /nfs/dbraw/zinc/13/14/95/159131495.db2.gz JJRBKJYQZMZHTF-UHFFFAOYSA-N 1 0 315.377 0.180 10 0 DCAERO Cn1[nH]c(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)nc1=O ZINC000330032979 159136921 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/nfs/dbraw/zinc/06/07/22/160060722.db2.gz NNMYORIMPNEYML-YUNKPMOVSA-N 1 0 301.456 0.040 10 0 DCAERO CC[C@H]1C[C@H](C[NH+]2CCC(NS(=O)(=O)NC)CC2)CCO1 ZINC000408224595 160064150 /nfs/dbraw/zinc/06/41/50/160064150.db2.gz GOKYZAIBCKUDQQ-OCCSQVGLSA-N 1 0 319.471 0.710 10 0 DCAERO CS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408231595 160065040 /nfs/dbraw/zinc/06/50/40/160065040.db2.gz IQZBKOJQBHNBIB-RKDXNWHRSA-N 1 0 304.334 0.171 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000408240176 160067266 /nfs/dbraw/zinc/06/72/66/160067266.db2.gz BBMKRYAYOPUJPK-AWEZNQCLSA-N 1 0 319.471 0.446 10 0 DCAERO Cc1nnc([C@@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCO2)[nH]1 ZINC000408271778 160073810 /nfs/dbraw/zinc/07/38/10/160073810.db2.gz ZJNSRVNUWNQMCV-WZRBSPASSA-N 1 0 307.398 0.886 10 0 DCAERO CC[C@H]1C[N@H+](CCCS(=O)(=O)NC)C[C@@]2(CCOC2)O1 ZINC000408348624 160089439 /nfs/dbraw/zinc/08/94/39/160089439.db2.gz IXNXXJQGGQOUSG-QWHCGFSZSA-N 1 0 306.428 0.196 10 0 DCAERO 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10 0 DCAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358231821 416216082 /nfs/dbraw/zinc/21/60/82/416216082.db2.gz UFTOGAMDSYARKZ-ZDUSSCGKSA-N 1 0 302.371 0.479 10 0 DCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183025944 416234940 /nfs/dbraw/zinc/23/49/40/416234940.db2.gz MLZATQUQOHJHEY-NEPJUHHUSA-N 1 0 300.428 0.412 10 0 DCAERO O=C(Nc1ccc(F)nc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178244098 416159255 /nfs/dbraw/zinc/15/92/55/416159255.db2.gz WAGOTEMRNZNPRS-UHFFFAOYSA-N 1 0 306.341 0.856 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)C(C)C ZINC000183681294 416249185 /nfs/dbraw/zinc/24/91/85/416249185.db2.gz QJJPTKNXKMGUCU-CYBMUJFWSA-N 1 0 306.366 0.695 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185039197 416252517 /nfs/dbraw/zinc/25/25/17/416252517.db2.gz UYYZODNSGDKXRG-ZLKJLUDKSA-N 1 0 323.418 0.452 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000184831077 416252913 /nfs/dbraw/zinc/25/29/13/416252913.db2.gz JJSIMWYPFVSTRC-GJZGRUSLSA-N 1 0 314.474 0.815 10 0 DCAERO COCCO[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000189732351 416269705 /nfs/dbraw/zinc/26/97/05/416269705.db2.gz OZNVGAOREYZXOF-KBPBESRZSA-N 1 0 320.455 0.395 10 0 DCAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nnnn2C)ncn1 ZINC000189849253 416271656 /nfs/dbraw/zinc/27/16/56/416271656.db2.gz WFCYIVUGBOTVFT-GHMZBOCLSA-N 1 0 317.401 0.361 10 0 DCAERO Cc1cc(F)cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000190047175 416273904 /nfs/dbraw/zinc/27/39/04/416273904.db2.gz GWIZWMBJFWVNQA-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1CCO ZINC000190035857 416273915 /nfs/dbraw/zinc/27/39/15/416273915.db2.gz VLQVGRVECWRHBO-NSHDSACASA-N 1 0 309.341 0.289 10 0 DCAERO Cc1c(F)cccc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190037471 416274096 /nfs/dbraw/zinc/27/40/96/416274096.db2.gz SZBGHHBFKCGQPK-LLVKDONJSA-N 1 0 323.368 0.598 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1F ZINC000190035895 416274156 /nfs/dbraw/zinc/27/41/56/416274156.db2.gz FOCZJTIJGVNJTO-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000193813370 416319657 /nfs/dbraw/zinc/31/96/57/416319657.db2.gz VBDBJMGPHSWLOH-AWEZNQCLSA-N 1 0 313.442 0.716 10 0 DCAERO CC[C@@H](C)[C@@H](NC(=O)CN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000193805973 416319695 /nfs/dbraw/zinc/31/96/95/416319695.db2.gz CTOFYXSWLVBCAJ-IUODEOHRSA-N 1 0 313.442 0.716 10 0 DCAERO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)CN1CCCC1=O ZINC000191109488 416284710 /nfs/dbraw/zinc/28/47/10/416284710.db2.gz VNYOSQFBECCQDH-OAHLLOKOSA-N 1 0 307.394 0.513 10 0 DCAERO CCCn1ccnc1CCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000191520872 416286893 /nfs/dbraw/zinc/28/68/93/416286893.db2.gz KATHPDAKXNVEQF-INIZCTEOSA-N 1 0 324.469 0.851 10 0 DCAERO CC(=O)NC1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000191752558 416288145 /nfs/dbraw/zinc/28/81/45/416288145.db2.gz XFIRHGUCBUACCI-AWEZNQCLSA-N 1 0 320.393 0.946 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](CO)C1CC1)C[NH+]1CCN(C)CC1 ZINC000358949195 416296739 /nfs/dbraw/zinc/29/67/39/416296739.db2.gz UCQHUSIMWRDYFQ-HIFRSBDPSA-N 1 0 312.458 0.188 10 0 DCAERO CC(C)N1CC[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000246825519 416332350 /nfs/dbraw/zinc/33/23/50/416332350.db2.gz WWUIXXHFMHEKKT-MCIONIFRSA-N 1 0 308.426 0.874 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000252691051 416334664 /nfs/dbraw/zinc/33/46/64/416334664.db2.gz WTIAQBZYIJFWJZ-XQHKEYJVSA-N 1 0 303.428 0.167 10 0 DCAERO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)C1CCOCC1 ZINC000261934186 416335917 /nfs/dbraw/zinc/33/59/17/416335917.db2.gz IWDRRRQHDKMFHA-CABCVRRESA-N 1 0 323.437 0.601 10 0 DCAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000359740846 416356166 /nfs/dbraw/zinc/35/61/66/416356166.db2.gz ALVPRBCGRCKWMS-PBHICJAKSA-N 1 0 323.437 0.836 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000194743521 416324591 /nfs/dbraw/zinc/32/45/91/416324591.db2.gz AXLAMQFTCDLDRP-NSHDSACASA-N 1 0 308.382 0.061 10 0 DCAERO CCCCOC[C@@H](O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000195187960 416325443 /nfs/dbraw/zinc/32/54/43/416325443.db2.gz RAFIKSLAJDJBMW-KGLIPLIRSA-N 1 0 305.440 0.816 10 0 DCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237912506 416329156 /nfs/dbraw/zinc/32/91/56/416329156.db2.gz GTFLAQDWJBIXKD-KGLIPLIRSA-N 1 0 319.430 0.520 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000245668964 416331237 /nfs/dbraw/zinc/33/12/37/416331237.db2.gz FDQUZCQGPCZCCA-BFHYXJOUSA-N 1 0 318.425 0.861 10 0 DCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245809202 416331515 /nfs/dbraw/zinc/33/15/15/416331515.db2.gz FQKMMAMGSHBDNP-JHJVBQTASA-N 1 0 305.444 0.414 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000246158636 416331693 /nfs/dbraw/zinc/33/16/93/416331693.db2.gz NOWSEMSCGLTXLY-NEPJUHHUSA-N 1 0 324.425 0.553 10 0 DCAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000246369147 416331784 /nfs/dbraw/zinc/33/17/84/416331784.db2.gz YGDWADPVOUPMKX-TZMCWYRMSA-N 1 0 306.410 0.713 10 0 DCAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000359922793 416366077 /nfs/dbraw/zinc/36/60/77/416366077.db2.gz INXOQPXXDBVPGN-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO CN(C[C@@H]1CC=CCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360280636 416384159 /nfs/dbraw/zinc/38/41/59/416384159.db2.gz XZFDLBGRZPQWJC-CQSZACIVSA-N 1 0 311.426 0.496 10 0 DCAERO CC[NH+]1CCC(CCNS(=O)(=O)N2CCOCC2)CC1 ZINC000360585486 416397809 /nfs/dbraw/zinc/39/78/09/416397809.db2.gz UBNHIAFKCGONJO-UHFFFAOYSA-N 1 0 305.444 0.275 10 0 DCAERO CC(C)(C)c1nnc(CNC(=O)NCCNc2cc[nH+]cc2)[nH]1 ZINC000459268317 416528924 /nfs/dbraw/zinc/52/89/24/416528924.db2.gz VKQXRQGDHKQULZ-UHFFFAOYSA-N 1 0 317.397 0.830 10 0 DCAERO NC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000536485925 416540882 /nfs/dbraw/zinc/54/08/82/416540882.db2.gz NLFCUSSQMXDHBQ-LBPRGKRZSA-N 1 0 322.434 0.766 10 0 DCAERO CC(C)[NH+](CCNC(=O)[C@@](C)(O)Cn1ccccc1=O)C(C)C ZINC000436296723 416554992 /nfs/dbraw/zinc/55/49/92/416554992.db2.gz KRBYAJUTANFGRG-KRWDZBQOSA-N 1 0 323.437 0.834 10 0 DCAERO C[C@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C)C(=O)N(C)C ZINC000368832495 416698144 /nfs/dbraw/zinc/69/81/44/416698144.db2.gz FGHLWZFSBDHORM-QWHCGFSZSA-N 1 0 311.426 0.470 10 0 DCAERO c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CCCOCC4)C3)nn12 ZINC000624116374 416959501 /nfs/dbraw/zinc/95/95/01/416959501.db2.gz NUJJLFPEUGOEJW-CHWSQXEVSA-N 1 0 302.382 0.862 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(F)cc1C ZINC000624396298 417027133 /nfs/dbraw/zinc/02/71/33/417027133.db2.gz KMDFXURHNKIXFJ-UHFFFAOYSA-N 1 0 304.387 0.991 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000624412733 417033736 /nfs/dbraw/zinc/03/37/36/417033736.db2.gz JKSDTEWOIOTIQL-MELADBBJSA-N 1 0 301.456 0.895 10 0 DCAERO CC[C@@H]1CN(c2nc(C)c(S(N)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000388723411 417097995 /nfs/dbraw/zinc/09/79/95/417097995.db2.gz WSMRVSXSGYVKBA-RKDXNWHRSA-N 1 0 304.441 0.663 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000522200464 417053273 /nfs/dbraw/zinc/05/32/73/417053273.db2.gz ARKXKJVAAZAJII-OLZOCXBDSA-N 1 0 317.455 0.401 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccn2C)CC1 ZINC000448257129 417067460 /nfs/dbraw/zinc/06/74/60/417067460.db2.gz SIMBMISQBNFOGV-AWEZNQCLSA-N 1 0 305.426 0.943 10 0 DCAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000448255360 417067960 /nfs/dbraw/zinc/06/79/60/417067960.db2.gz IWLPQFNBBSQKGE-RYUDHWBXSA-N 1 0 311.430 0.559 10 0 DCAERO CC[C@@H]1CN(CC)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632417749 417074138 /nfs/dbraw/zinc/07/41/38/417074138.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 1 0 319.471 0.063 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ncccn1 ZINC000616637190 417088427 /nfs/dbraw/zinc/08/84/27/417088427.db2.gz RZFHHNDSUNIYQI-GFCCVEGCSA-N 1 0 307.398 0.948 10 0 DCAERO O=C(NC[C@H]1COCC[NH2+]1)c1nscc1Br ZINC000404815956 417119715 /nfs/dbraw/zinc/11/97/15/417119715.db2.gz PUZXPQKFMCPICD-LURJTMIESA-N 1 0 306.185 0.624 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1C[NH3+] ZINC000405844751 417125614 /nfs/dbraw/zinc/12/56/14/417125614.db2.gz HCWCCFATDJYBHS-GHMZBOCLSA-N 1 0 303.384 0.276 10 0 DCAERO Cn1c2c(nc1[C@@H]1CCCN1C(=O)CNC(N)=O)CCCC2 ZINC000408038997 417138019 /nfs/dbraw/zinc/13/80/19/417138019.db2.gz QXGYRWNMUYMVTO-LBPRGKRZSA-N 1 0 305.382 0.631 10 0 DCAERO Cc1cc(NC(=O)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000408122403 417142473 /nfs/dbraw/zinc/14/24/73/417142473.db2.gz JVAYKYPEHHJJOX-ZDUSSCGKSA-N 1 0 320.393 1.254 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000408063567 417135943 /nfs/dbraw/zinc/13/59/43/417135943.db2.gz VSDZGJVLQNIBGL-BFHYXJOUSA-N 1 0 319.471 0.804 10 0 DCAERO C[C@@H](O)CCN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000450909204 417282219 /nfs/dbraw/zinc/28/22/19/417282219.db2.gz WDWJSPNUWKKBNI-DYVFJYSZSA-N 1 0 317.389 0.954 10 0 DCAERO Cc1cnn(CCNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000638279169 417403124 /nfs/dbraw/zinc/40/31/24/417403124.db2.gz YOBSZWUJUHUHPK-INIZCTEOSA-N 1 0 315.421 0.767 10 0 DCAERO Cc1cnn(CCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000638279170 417403763 /nfs/dbraw/zinc/40/37/63/417403763.db2.gz YOBSZWUJUHUHPK-MRXNPFEDSA-N 1 0 315.421 0.767 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638680605 417534952 /nfs/dbraw/zinc/53/49/52/417534952.db2.gz FWQQNVNMQVNAJG-FVCCEPFGSA-N 1 0 300.424 0.540 10 0 DCAERO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)[NH+](C)C ZINC000439757078 287389116 /nfs/dbraw/zinc/38/91/16/287389116.db2.gz NZYJIYYMMVJLCW-NSHDSACASA-N 1 0 318.377 0.428 10 0 DCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000645822522 417802099 /nfs/dbraw/zinc/80/20/99/417802099.db2.gz RRTCXSFIORYTCO-LBPRGKRZSA-N 1 0 305.444 0.148 10 0 DCAERO Cn1cc(Br)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000662767859 417897201 /nfs/dbraw/zinc/89/72/01/417897201.db2.gz XYLVRSKWKZJNSA-QXFUBDJGSA-N 1 0 313.199 0.992 10 0 DCAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000653056174 418018220 /nfs/dbraw/zinc/01/82/20/418018220.db2.gz XGBKMLWGQKXONN-DJLDLDEBSA-N 1 0 314.329 0.030 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000659336263 418083274 /nfs/dbraw/zinc/08/32/74/418083274.db2.gz MIIGLGPLWHSTOG-NEPJUHHUSA-N 1 0 302.440 0.706 10 0 DCAERO NC(=O)[C@H](O)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000299741059 229376695 /nfs/dbraw/zinc/37/66/95/229376695.db2.gz CNKKAJFRDOZSSA-OAHLLOKOSA-N 1 0 306.362 0.516 10 0 DCAERO NC(=O)[C@H](O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000299749651 229394220 /nfs/dbraw/zinc/39/42/20/229394220.db2.gz LDKMUCSOOGQVEX-UONOGXRCSA-N 1 0 312.797 0.932 10 0 DCAERO 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/nfs/dbraw/zinc/08/33/24/131083324.db2.gz LPFZLAVHWIVZAP-ZIAGYGMSSA-N 1 0 315.377 0.583 10 0 DCAERO C[NH2+]CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000121663524 132156669 /nfs/dbraw/zinc/15/66/69/132156669.db2.gz YZYQVLQHOCIDBU-UHFFFAOYSA-N 1 0 304.799 0.839 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000186726663 134451323 /nfs/dbraw/zinc/45/13/23/134451323.db2.gz LIKNQSBVNZRDAB-JSGCOSHPSA-N 1 0 303.410 0.807 10 0 DCAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncnc2n[nH]cc21 ZINC000085689364 395701591 /nfs/dbraw/zinc/70/15/91/395701591.db2.gz VXBLDWFBYSHHDA-VXGBXAGGSA-N 1 0 302.382 0.778 10 0 DCAERO C[C@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC000090149569 395718432 /nfs/dbraw/zinc/71/84/32/395718432.db2.gz PSYLZXBLEOAOFL-ZFWWWQNUSA-N 1 0 312.458 0.425 10 0 DCAERO CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037802561 395728852 /nfs/dbraw/zinc/72/88/52/395728852.db2.gz FTXYRYYGXCMZJC-AGIUHOORSA-N 1 0 315.439 0.011 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1 ZINC000041784962 395739261 /nfs/dbraw/zinc/73/92/61/395739261.db2.gz WXDGNIJRFTZPMX-UHFFFAOYSA-N 1 0 305.378 0.854 10 0 DCAERO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000045173483 395761724 /nfs/dbraw/zinc/76/17/24/395761724.db2.gz VHXQXRUHDKGCAE-ZDUSSCGKSA-N 1 0 309.391 0.437 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103989331 395776116 /nfs/dbraw/zinc/77/61/16/395776116.db2.gz FFJJKEKBEYUWNI-FUNVUKJBSA-N 1 0 312.439 0.940 10 0 DCAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000194868337 395810018 /nfs/dbraw/zinc/81/00/18/395810018.db2.gz BRPHITLYGLKFHX-CABCVRRESA-N 1 0 301.390 0.903 10 0 DCAERO Cn1c2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2sc1=O ZINC000194970071 395813029 /nfs/dbraw/zinc/81/30/29/395813029.db2.gz IRBFNHISWFNWBA-SNVBAGLBSA-N 1 0 312.416 0.877 10 0 DCAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N1CCNC1=O)CC2 ZINC000112552064 395819019 /nfs/dbraw/zinc/81/90/19/395819019.db2.gz HKAGAZRJZZTQDF-QWRGUYRKSA-N 1 0 320.397 0.246 10 0 DCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000195179146 395819691 /nfs/dbraw/zinc/81/96/91/395819691.db2.gz NCEFCAXKDOXXHJ-CVEARBPZSA-N 1 0 300.443 0.818 10 0 DCAERO O=C(CNC(=O)c1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195319971 395824772 /nfs/dbraw/zinc/82/47/72/395824772.db2.gz MERCYYNHJJIESI-CQSZACIVSA-N 1 0 305.353 0.862 10 0 DCAERO O=C(CNC(=O)c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195322981 395824918 /nfs/dbraw/zinc/82/49/18/395824918.db2.gz UAIJIDZHXUVMEV-AWEZNQCLSA-N 1 0 305.353 0.862 10 0 DCAERO CC(=O)NCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695056 395840919 /nfs/dbraw/zinc/84/09/19/395840919.db2.gz VPWNFXYOEDXWAG-UHFFFAOYSA-N 1 0 310.373 0.823 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cnn(C)c2)C[C@@H]1CC ZINC000116767076 395844824 /nfs/dbraw/zinc/84/48/24/395844824.db2.gz LDYKMZGPKMBHCG-HNNXBMFYSA-N 1 0 308.426 0.922 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833175 395847017 /nfs/dbraw/zinc/84/70/17/395847017.db2.gz LITHBAPKZUIEDB-NWDGAFQWSA-N 1 0 303.428 0.011 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1Cl ZINC000116901105 395849776 /nfs/dbraw/zinc/84/97/76/395849776.db2.gz ABJZVFUAXBPQEA-SECBINFHSA-N 1 0 322.818 0.025 10 0 DCAERO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000223198647 395854159 /nfs/dbraw/zinc/85/41/59/395854159.db2.gz FYPSWQDMDGTSBC-GWCFXTLKSA-N 1 0 300.380 0.136 10 0 DCAERO COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CC[NH3+])C2)c1 ZINC000237211599 395907125 /nfs/dbraw/zinc/90/71/25/395907125.db2.gz GTCSKFGUXSKQLD-LBPRGKRZSA-N 1 0 307.394 0.995 10 0 DCAERO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000134074683 395930353 /nfs/dbraw/zinc/93/03/53/395930353.db2.gz TZIRTRAVKFKEBM-CVEARBPZSA-N 1 0 319.405 0.664 10 0 DCAERO COCCCS(=O)(=O)NCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000245477150 395930618 /nfs/dbraw/zinc/93/06/18/395930618.db2.gz UEWSLZMAROLWKA-ZIAGYGMSSA-N 1 0 320.455 0.586 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)C(N)=O ZINC000127963341 395916751 /nfs/dbraw/zinc/91/67/51/395916751.db2.gz AYYZDVOUBKXFCL-AWEZNQCLSA-N 1 0 320.437 0.970 10 0 DCAERO Cc1nc(CN2CCCN([C@H]3CCN(C(C)C)C3=O)CC2)no1 ZINC000245480830 395930732 /nfs/dbraw/zinc/93/07/32/395930732.db2.gz XPYSREPJHORIDG-AWEZNQCLSA-N 1 0 321.425 0.895 10 0 DCAERO COC(=O)CNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245497148 395931015 /nfs/dbraw/zinc/93/10/15/395931015.db2.gz SVSCPOCMHCIMFY-MJBXVCDLSA-N 1 0 311.426 0.611 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)n(C)c1=O ZINC000273462141 395923014 /nfs/dbraw/zinc/92/30/14/395923014.db2.gz ZSUJKKGBVFLYSN-STQMWFEESA-N 1 0 309.410 0.313 10 0 DCAERO COCC[N@H+](C)CCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000245600497 395932070 /nfs/dbraw/zinc/93/20/70/395932070.db2.gz JZFMEBNXZBIXLH-AWEZNQCLSA-N 1 0 323.441 0.818 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)CN1CC(=O)NC1=O)C1CCCCC1 ZINC000134600397 395933049 /nfs/dbraw/zinc/93/30/49/395933049.db2.gz 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ZINC000248894031 395999598 /nfs/dbraw/zinc/99/95/98/395999598.db2.gz XBFOCIVSJJPUEG-AEIGPULVSA-N 1 0 316.405 0.858 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246771469 395957130 /nfs/dbraw/zinc/95/71/30/395957130.db2.gz YTCXROHUKWFTAB-HIFRSBDPSA-N 1 0 323.437 0.567 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNC(N)=O ZINC000248932775 396000288 /nfs/dbraw/zinc/00/02/88/396000288.db2.gz YAJSCHCJNKNIBS-GXTWGEPZSA-N 1 0 304.394 0.682 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccccc2)C[C@@H]1C ZINC000247050208 395964870 /nfs/dbraw/zinc/96/48/70/395964870.db2.gz FGCPAGHWDGXBOS-GJZGRUSLSA-N 1 0 305.422 0.690 10 0 DCAERO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247098293 395966553 /nfs/dbraw/zinc/96/65/53/395966553.db2.gz FBYCQXXYZROFLQ-SGMGOOAPSA-N 1 0 319.409 0.465 10 0 DCAERO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247269767 395970743 /nfs/dbraw/zinc/97/07/43/395970743.db2.gz RDKRYWUCLNMXNX-GXTWGEPZSA-N 1 0 320.393 0.764 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCS(C)(=O)=O)[C@@H](C)C1 ZINC000247354084 395972769 /nfs/dbraw/zinc/97/27/69/395972769.db2.gz JVHFZDSABQGMHP-STQMWFEESA-N 1 0 304.456 1.000 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247486878 395974747 /nfs/dbraw/zinc/97/47/47/395974747.db2.gz TXVDCMQFOYMBJS-KGLIPLIRSA-N 1 0 310.442 0.140 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCOCC1 ZINC000247490908 395975026 /nfs/dbraw/zinc/97/50/26/395975026.db2.gz UFMKLOZQKUCBRY-CABCVRRESA-N 1 0 310.442 0.587 10 0 DCAERO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247598520 395976530 /nfs/dbraw/zinc/97/65/30/395976530.db2.gz SYLUAKRZUFEOAW-UONOGXRCSA-N 1 0 311.426 0.208 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC000249050219 396001779 /nfs/dbraw/zinc/00/17/79/396001779.db2.gz WSVZOGWOGLJBRR-KGLIPLIRSA-N 1 0 318.439 0.149 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@H]12 ZINC000248644752 395991866 /nfs/dbraw/zinc/99/18/66/395991866.db2.gz SCRPUGGZMYAGCI-HRDYMLBCSA-N 1 0 309.288 0.471 10 0 DCAERO CCCCOC[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248646816 395992073 /nfs/dbraw/zinc/99/20/73/395992073.db2.gz HRAPRWBQZXPJQK-XHSDSOJGSA-N 1 0 300.443 0.817 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNC(=O)OCC(F)(F)F)C[C@@H]12 ZINC000248633238 395992275 /nfs/dbraw/zinc/99/22/75/395992275.db2.gz POZXSMBYBDRTPJ-OPRDCNLKSA-N 1 0 323.315 0.861 10 0 DCAERO CN1CCC2(CC1)CN(C(=O)c1ccnc(N)c1)CCC[N@@H+]2C ZINC000067713620 396031840 /nfs/dbraw/zinc/03/18/40/396031840.db2.gz ZJJSARPGQPTHRU-UHFFFAOYSA-N 1 0 317.437 0.906 10 0 DCAERO CN(CC[NH+](C)C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000154781212 396042389 /nfs/dbraw/zinc/04/23/89/396042389.db2.gz YOPWDIONRCUJHN-UHFFFAOYSA-N 1 0 316.365 0.430 10 0 DCAERO C[NH+](C)CCOc1ccccc1C(=O)NCC(C)(C)C(N)=O ZINC000068137700 396047432 /nfs/dbraw/zinc/04/74/32/396047432.db2.gz ZRBPGRPGHNJCAT-UHFFFAOYSA-N 1 0 307.394 0.868 10 0 DCAERO C[C@H](CNC(=O)CNC(=O)c1cccnc1)C[NH+]1CCCC1 ZINC000155381031 396050540 /nfs/dbraw/zinc/05/05/40/396050540.db2.gz OESKJUYFURHGEI-CYBMUJFWSA-N 1 0 304.394 0.660 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000261633411 396051179 /nfs/dbraw/zinc/05/11/79/396051179.db2.gz COLHXCZTIRPDQQ-NSHDSACASA-N 1 0 307.398 0.426 10 0 DCAERO C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)S(C)(=O)=O ZINC000261678914 396055356 /nfs/dbraw/zinc/05/53/56/396055356.db2.gz HEHSQYRNUKPLRJ-QMMMGPOBSA-N 1 0 300.355 0.843 10 0 DCAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCS(N)(=O)=O ZINC000068458061 396056458 /nfs/dbraw/zinc/05/64/58/396056458.db2.gz FDNVNOFWOKGILB-SRVKXCTJSA-N 1 0 304.412 0.471 10 0 DCAERO O=C(NC[C@@H](O)c1ccccc1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000261696354 396057805 /nfs/dbraw/zinc/05/78/05/396057805.db2.gz SMBRLWZLUSHDSJ-UONOGXRCSA-N 1 0 315.377 0.666 10 0 DCAERO Cn1cc(C(=O)N(CC[NH3+])CCc2ccccc2)c(=O)[nH]c1=O ZINC000261699011 396057897 /nfs/dbraw/zinc/05/78/97/396057897.db2.gz JIFCXZKSHJJOLQ-UHFFFAOYSA-N 1 0 316.361 0.130 10 0 DCAERO CC(C)N1C(=O)CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1(C)C ZINC000261758125 396062830 /nfs/dbraw/zinc/06/28/30/396062830.db2.gz LPRBPEPCKQAEOS-AWEZNQCLSA-N 1 0 311.426 0.598 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)on1 ZINC000261799306 396067467 /nfs/dbraw/zinc/06/74/67/396067467.db2.gz QTFWCGKZTMWOFD-ZDUSSCGKSA-N 1 0 301.350 0.963 10 0 DCAERO COCC[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000152198061 396003018 /nfs/dbraw/zinc/00/30/18/396003018.db2.gz FVPQPRHHSAGNBN-UHFFFAOYSA-N 1 0 324.772 0.282 10 0 DCAERO c1nc2cncc(N3CC[NH+](C[C@@H]4CCCCO4)CC3)n2n1 ZINC000276510114 396005703 /nfs/dbraw/zinc/00/57/03/396005703.db2.gz PYEWOIREAXGYIN-ZDUSSCGKSA-N 1 0 302.382 0.815 10 0 DCAERO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCOCC1 ZINC000249565377 396009451 /nfs/dbraw/zinc/00/94/51/396009451.db2.gz MWUQMRCJEYGTQU-KBPBESRZSA-N 1 0 310.419 0.615 10 0 DCAERO CC[N@H+](CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)C1CC1 ZINC000152509713 396011245 /nfs/dbraw/zinc/01/12/45/396011245.db2.gz BZTYAVOKDQRENK-OAHLLOKOSA-N 1 0 306.410 0.903 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261997919 396088651 /nfs/dbraw/zinc/08/86/51/396088651.db2.gz UVNBGLWIKYNLDJ-ZDUSSCGKSA-N 1 0 323.418 0.340 10 0 DCAERO COC[C@@H]1CN(C(=O)CN2CCCC2=O)CC12CC[NH2+]CC2 ZINC000169782379 396091739 /nfs/dbraw/zinc/09/17/39/396091739.db2.gz PDOVCBDPUDNVCV-ZDUSSCGKSA-N 1 0 309.410 0.083 10 0 DCAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262064027 396095587 /nfs/dbraw/zinc/09/55/87/396095587.db2.gz BCVDSSCTLAQMIS-CDMKHQONSA-N 1 0 321.402 0.186 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000170856668 396098702 /nfs/dbraw/zinc/09/87/02/396098702.db2.gz SHJHIDPVHJXPPK-HNNXBMFYSA-N 1 0 303.406 0.898 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CCN2c3ccccc3OCC2=O)C1 ZINC000170859538 396099847 /nfs/dbraw/zinc/09/98/47/396099847.db2.gz XECDIUUVOCRHLI-ZDUSSCGKSA-N 1 0 317.389 0.965 10 0 DCAERO Cc1ccc(C(=O)NCCC(=O)N2CC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000170860113 396099940 /nfs/dbraw/zinc/09/99/40/396099940.db2.gz SRSGBRIKGDMRJH-ZDUSSCGKSA-N 1 0 319.405 0.983 10 0 DCAERO CCn1nc(C(=O)NCC[NH2+]CCOC)c(=O)c2ccccc21 ZINC000262119216 396101330 /nfs/dbraw/zinc/10/13/30/396101330.db2.gz LUSKDBMATLAJED-UHFFFAOYSA-N 1 0 318.377 0.382 10 0 DCAERO Cc1cnn(C[C@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)CCO2)c1 ZINC000262161744 396105830 /nfs/dbraw/zinc/10/58/30/396105830.db2.gz XYHOJWFWBQHYPM-HUUCEWRRSA-N 1 0 322.409 0.173 10 0 DCAERO Cn1ncc2c1ncnc2N1CC[NH+](CCCCCO)CC1 ZINC000171143239 396108759 /nfs/dbraw/zinc/10/87/59/396108759.db2.gz JFOGOJTUJYLIMS-UHFFFAOYSA-N 1 0 304.398 0.648 10 0 DCAERO COCC[N@H+](C)CCNC(=O)NCCc1c(C)nn(C)c1C ZINC000171198648 396109778 /nfs/dbraw/zinc/10/97/78/396109778.db2.gz AGUIOQRIXWTWRL-UHFFFAOYSA-N 1 0 311.430 0.457 10 0 DCAERO CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000171623539 396120273 /nfs/dbraw/zinc/12/02/73/396120273.db2.gz XCEXCRJWIWIRNQ-LBPRGKRZSA-N 1 0 320.397 0.223 10 0 DCAERO COc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1F ZINC000262323641 396123852 /nfs/dbraw/zinc/12/38/52/396123852.db2.gz RKSBOZSDQNMVKA-UHFFFAOYSA-N 1 0 309.341 0.338 10 0 DCAERO O=C(N1CCN2CCCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342205 396126887 /nfs/dbraw/zinc/12/68/87/396126887.db2.gz TWTGIVBROQUPGW-HNNXBMFYSA-N 1 0 317.437 0.659 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cnccn1 ZINC000172288977 396130214 /nfs/dbraw/zinc/13/02/14/396130214.db2.gz VFKSNRVLCFWHNQ-CQSZACIVSA-N 1 0 307.398 0.729 10 0 DCAERO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4ncnn4C3)C2=O)n1 ZINC000174085239 396137188 /nfs/dbraw/zinc/13/71/88/396137188.db2.gz VQIZYQIWHMMHCV-NEPJUHHUSA-N 1 0 315.381 0.112 10 0 DCAERO [NH3+]CC1(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCOCC1 ZINC000261871673 396074384 /nfs/dbraw/zinc/07/43/84/396074384.db2.gz DEHRMHHLGHGHSG-CQSZACIVSA-N 1 0 323.437 0.507 10 0 DCAERO CN(CC(=O)NCc1cccs1)C(=O)C1([NH3+])CCOCC1 ZINC000261869722 396074492 /nfs/dbraw/zinc/07/44/92/396074492.db2.gz NZKNYFBJYJJISU-UHFFFAOYSA-N 1 0 311.407 0.331 10 0 DCAERO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261882245 396075867 /nfs/dbraw/zinc/07/58/67/396075867.db2.gz ALWCEDPAQLYUBO-TZMCWYRMSA-N 1 0 304.394 0.690 10 0 DCAERO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000175612915 396140376 /nfs/dbraw/zinc/14/03/76/396140376.db2.gz GCGSOEGCPDNQBL-DZGCQCFKSA-N 1 0 305.422 1.000 10 0 DCAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cn1 ZINC000261890231 396076507 /nfs/dbraw/zinc/07/65/07/396076507.db2.gz GJBLTOCRKZXFSU-UMVBOHGHSA-N 1 0 304.394 0.427 10 0 DCAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C(=O)N1CCCC[C@@H]1C ZINC000261900619 396077476 /nfs/dbraw/zinc/07/74/76/396077476.db2.gz WMFNXXGFTWGXJC-SGMGOOAPSA-N 1 0 311.426 0.646 10 0 DCAERO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261948975 396082418 /nfs/dbraw/zinc/08/24/18/396082418.db2.gz JXEBKWPMYPGYKL-ZBEGNZNMSA-N 1 0 322.409 0.293 10 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/nfs/dbraw/zinc/15/63/10/396156310.db2.gz WXQGYCGFEFQVLH-INIZCTEOSA-N 1 0 302.422 0.913 10 0 DCAERO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262569084 396156675 /nfs/dbraw/zinc/15/66/75/396156675.db2.gz YPWWCKBRXYDFQV-CABCVRRESA-N 1 0 303.406 0.968 10 0 DCAERO C[C@@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000262586534 396159057 /nfs/dbraw/zinc/15/90/57/396159057.db2.gz VMHUJIZXOCEBCO-OCCSQVGLSA-N 1 0 309.410 0.082 10 0 DCAERO COc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OCC(N)=O ZINC000262631980 396164939 /nfs/dbraw/zinc/16/49/39/396164939.db2.gz WPOJOVLWAUQAMP-VHSXEESVSA-N 1 0 307.350 0.625 10 0 DCAERO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263285495 396210942 /nfs/dbraw/zinc/21/09/42/396210942.db2.gz UZCXCUPYGSAVMU-BQBZGAKWSA-N 1 0 315.242 0.263 10 0 DCAERO O=C(Nc1nc(CN2CCCCC2)cs1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262726536 396175788 /nfs/dbraw/zinc/17/57/88/396175788.db2.gz HIEXKCMUZHISLX-VXGBXAGGSA-N 1 0 310.423 0.790 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000177487230 396177462 /nfs/dbraw/zinc/17/74/62/396177462.db2.gz JDEWBPVLGQWLSY-OLZOCXBDSA-N 1 0 304.394 0.800 10 0 DCAERO Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177678529 396180869 /nfs/dbraw/zinc/18/08/69/396180869.db2.gz KRZRTMLBIOQNOP-ZDUSSCGKSA-N 1 0 323.368 0.862 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000177759950 396181761 /nfs/dbraw/zinc/18/17/61/396181761.db2.gz QGLLXGGCIAWCAU-CQSZACIVSA-N 1 0 308.426 0.925 10 0 DCAERO CN(Cc1cnn(C)c1)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177772219 396183184 /nfs/dbraw/zinc/18/31/84/396183184.db2.gz GHCFHCDNGFQSQY-OAHLLOKOSA-N 1 0 305.426 0.549 10 0 DCAERO CC(C)c1nnc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)s1 ZINC000262828224 396185111 /nfs/dbraw/zinc/18/51/11/396185111.db2.gz YVUYJJUOKGRTTH-UHFFFAOYSA-N 1 0 306.395 0.960 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)n2)cc1 ZINC000262860150 396188371 /nfs/dbraw/zinc/18/83/71/396188371.db2.gz TZOIMYTVLBEAEC-TZMCWYRMSA-N 1 0 314.393 0.763 10 0 DCAERO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263297846 396211959 /nfs/dbraw/zinc/21/19/59/396211959.db2.gz WQGKCOKTVZRMRG-KOLCDFICSA-N 1 0 322.331 0.340 10 0 DCAERO O=C(CNC(=O)c1cccnc1)NCCC[NH+]1CCCCC1 ZINC000178263441 396191816 /nfs/dbraw/zinc/19/18/16/396191816.db2.gz IZZYCXFNTGQZGZ-UHFFFAOYSA-N 1 0 304.394 0.804 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccc2c(c1)OCO2 ZINC000178623779 396201095 /nfs/dbraw/zinc/20/10/95/396201095.db2.gz OHZLCHGNFQCPIG-CQSZACIVSA-N 1 0 317.389 0.812 10 0 DCAERO C[C@H]1C[C@@H](N(C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946618 396244295 /nfs/dbraw/zinc/24/42/95/396244295.db2.gz VQPQXRXSRYEQSI-STQMWFEESA-N 1 0 313.442 0.859 10 0 DCAERO O=C(CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000183775270 396274603 /nfs/dbraw/zinc/27/46/03/396274603.db2.gz HFYMPPAASRLSMT-AWEZNQCLSA-N 1 0 308.426 0.640 10 0 DCAERO CC[C@@H]1CN(c2cnn(C)c(=O)c2Cl)CCN1C[C@H](C)O ZINC000264388163 396275759 /nfs/dbraw/zinc/27/57/59/396275759.db2.gz ZXUFWEXZWZUANX-WDEREUQCSA-N 1 0 314.817 0.715 10 0 DCAERO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000179575832 396228351 /nfs/dbraw/zinc/22/83/51/396228351.db2.gz QNJSNGOFKIHRLF-NSHDSACASA-N 1 0 308.382 0.894 10 0 DCAERO COCCn1nc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1=O ZINC000077729920 396229996 /nfs/dbraw/zinc/22/99/96/396229996.db2.gz GMUKVWWFWHRBDJ-CYBMUJFWSA-N 1 0 324.425 0.596 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935457 396311483 /nfs/dbraw/zinc/31/14/83/396311483.db2.gz NDCZPXPKVBVHIA-HUUCEWRRSA-N 1 0 312.458 0.569 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)c2cn(CC3(C)COC3)nn2)CC[N@@H+]1C ZINC000184944701 396311699 /nfs/dbraw/zinc/31/16/99/396311699.db2.gz JXOKHCUQZCFBSV-STQMWFEESA-N 1 0 321.425 0.869 10 0 DCAERO Cn1nccc1CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000185114654 396317847 /nfs/dbraw/zinc/31/78/47/396317847.db2.gz ILHQTOVUDTZHJT-OAHLLOKOSA-N 1 0 308.426 0.706 10 0 DCAERO CNC(=O)C1CN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000184784635 396305736 /nfs/dbraw/zinc/30/57/36/396305736.db2.gz SQAHNOGHBOHAHH-INIZCTEOSA-N 1 0 303.406 0.083 10 0 DCAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000185344339 396325033 /nfs/dbraw/zinc/32/50/33/396325033.db2.gz CEZQRYIMMKRGFU-LBPRGKRZSA-N 1 0 311.382 0.944 10 0 DCAERO C[NH+](C)CCOc1ccccc1C(=O)NCC(F)(F)CO ZINC000186095951 396341303 /nfs/dbraw/zinc/34/13/03/396341303.db2.gz SCDKYHREAIWPNK-UHFFFAOYSA-N 1 0 302.321 0.984 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000186712461 396356408 /nfs/dbraw/zinc/35/64/08/396356408.db2.gz ZFIFRCOUWIXZCC-FVCCEPFGSA-N 1 0 307.394 0.276 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](OCCO)C1 ZINC000187394109 396368731 /nfs/dbraw/zinc/36/87/31/396368731.db2.gz LTANDGDHYIHPPB-KGLIPLIRSA-N 1 0 301.431 0.900 10 0 DCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187532669 396371223 /nfs/dbraw/zinc/37/12/23/396371223.db2.gz DZBJDQOMAHPMDC-CYBMUJFWSA-N 1 0 322.453 0.884 10 0 DCAERO CC(C)(C)n1cc(C(=O)NCCCC[NH+]2CCOCC2)nn1 ZINC000188777435 396386027 /nfs/dbraw/zinc/38/60/27/396386027.db2.gz HHNZDDFMYMQCIF-UHFFFAOYSA-N 1 0 309.414 0.875 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccnc2OCC(F)F)C1 ZINC000189315753 396393442 /nfs/dbraw/zinc/39/34/42/396393442.db2.gz BTWXRXJBVLRMPI-WDEREUQCSA-N 1 0 315.320 0.719 10 0 DCAERO CCN1CN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000189876759 396400212 /nfs/dbraw/zinc/40/02/12/396400212.db2.gz ZLRJCHWTAKOSHL-UHFFFAOYSA-N 1 0 312.414 0.319 10 0 DCAERO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000191663275 396422544 /nfs/dbraw/zinc/42/25/44/396422544.db2.gz OUBTVHFKFLIASL-CVEARBPZSA-N 1 0 300.443 0.553 10 0 DCAERO CN(CCCNC(=O)C[N@@H+]1CCCC12CCC2)S(C)(=O)=O ZINC000373101249 396566491 /nfs/dbraw/zinc/56/64/91/396566491.db2.gz VOIGDMKCNHJFDA-UHFFFAOYSA-N 1 0 317.455 0.403 10 0 DCAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000373848843 396617960 /nfs/dbraw/zinc/61/79/60/396617960.db2.gz DORALLVUQFDSRY-INIZCTEOSA-N 1 0 317.345 0.786 10 0 DCAERO CCc1nc(C(C)(C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)no1 ZINC000562466702 396666203 /nfs/dbraw/zinc/66/62/03/396666203.db2.gz QBENONAFLAWFFU-NSHDSACASA-N 1 0 307.398 0.373 10 0 DCAERO C[C@@H](CC[NH+](C)C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000587118408 396670573 /nfs/dbraw/zinc/67/05/73/396670573.db2.gz PKGYBHNPFDWZJH-LBPRGKRZSA-N 1 0 320.459 0.051 10 0 DCAERO CC[C@H](C)[C@@H](NC(=O)CN1CCOCC[C@@H]1C)C(=O)OC ZINC000374990187 396702568 /nfs/dbraw/zinc/70/25/68/396702568.db2.gz RZWPMWBXQUNNPG-SGMGOOAPSA-N 1 0 300.399 0.801 10 0 DCAERO Cn1cc([C@@H](O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000375089378 396710501 /nfs/dbraw/zinc/71/05/01/396710501.db2.gz IOUKSKXSMKENGS-OAHLLOKOSA-N 1 0 306.410 0.788 10 0 DCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CSc1nnnn1C1CC1 ZINC000589982295 396732743 /nfs/dbraw/zinc/73/27/43/396732743.db2.gz UNMPGQJKEHGWCH-NSHDSACASA-N 1 0 310.427 0.653 10 0 DCAERO 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324.356 0.541 10 0 DCAERO C[C@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)CS(C)(=O)=O ZINC000119410981 158188041 /nfs/dbraw/zinc/18/80/41/158188041.db2.gz NDUNMESAQWOUDP-ZIAGYGMSSA-N 1 0 304.456 0.321 10 0 DCAERO CC[NH+](CC)CCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119998640 158192439 /nfs/dbraw/zinc/19/24/39/158192439.db2.gz MZSSJEMGUGXLBZ-CQSZACIVSA-N 1 0 303.472 0.828 10 0 DCAERO CCNC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000120578861 158200258 /nfs/dbraw/zinc/20/02/58/158200258.db2.gz OSAROVCENALYQE-UONOGXRCSA-N 1 0 323.441 0.670 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000121835509 158215315 /nfs/dbraw/zinc/21/53/15/158215315.db2.gz NIXYCMBPSQPYCG-AWEZNQCLSA-N 1 0 308.426 0.804 10 0 DCAERO CO[C@@]1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123300664 158229193 /nfs/dbraw/zinc/22/91/93/158229193.db2.gz TVFYHJHUVUBTDZ-BXUZGUMPSA-N 1 0 314.407 0.790 10 0 DCAERO CC(C)NC(=O)CCN1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000124860256 158247882 /nfs/dbraw/zinc/24/78/82/158247882.db2.gz ZRUVBUNAMBEYFN-UHFFFAOYSA-N 1 0 312.458 0.433 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccsc1 ZINC000125448090 158254513 /nfs/dbraw/zinc/25/45/13/158254513.db2.gz OKPMEJUBBVTGGS-GFCCVEGCSA-N 1 0 311.407 0.914 10 0 DCAERO CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000126891607 158268858 /nfs/dbraw/zinc/26/88/58/158268858.db2.gz SPILMPKFCALBPP-AWEZNQCLSA-N 1 0 304.394 0.696 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000130390952 158294251 /nfs/dbraw/zinc/29/42/51/158294251.db2.gz RRNRHOAADVCZLU-STQMWFEESA-N 1 0 310.442 0.884 10 0 DCAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ncn(C)c1Cl ZINC000130991547 158298381 /nfs/dbraw/zinc/29/83/81/158298381.db2.gz WCWYSHIYMBMTAQ-ULKQDVFKSA-N 1 0 318.830 0.977 10 0 DCAERO Cn1ccnc1CN1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000132157504 158307639 /nfs/dbraw/zinc/30/76/39/158307639.db2.gz CHMVHFPYCZDRJI-UHFFFAOYSA-N 1 0 300.366 0.236 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000132867328 158314170 /nfs/dbraw/zinc/31/41/70/158314170.db2.gz VHCAEXGORZBKTO-LBPRGKRZSA-N 1 0 318.406 0.578 10 0 DCAERO COCCCCS(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000133099807 158316112 /nfs/dbraw/zinc/31/61/12/158316112.db2.gz HHIVOPRADNTMGL-OKILXGFUSA-N 1 0 322.471 0.832 10 0 DCAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000135697012 158340500 /nfs/dbraw/zinc/34/05/00/158340500.db2.gz IKWAGJIHBKJARF-LLVKDONJSA-N 1 0 313.423 0.853 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1sccc1Cl ZINC000163029725 158361510 /nfs/dbraw/zinc/36/15/10/158361510.db2.gz JFLNCAOBDHTUFL-UHFFFAOYSA-N 1 0 301.799 0.905 10 0 DCAERO COCCN1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000168019223 158370705 /nfs/dbraw/zinc/37/07/05/158370705.db2.gz WZWNFOOTYDBKKY-CQSZACIVSA-N 1 0 317.433 0.662 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000171450250 158383550 /nfs/dbraw/zinc/38/35/50/158383550.db2.gz 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ZINC000172040833 158390422 /nfs/dbraw/zinc/39/04/22/158390422.db2.gz BCGGHSJNAUOEPO-SQPSOYEMSA-N 1 0 323.437 0.192 10 0 DCAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000187741451 158540676 /nfs/dbraw/zinc/54/06/76/158540676.db2.gz ZGFQAYLBPWWGQS-GXSJLCMTSA-N 1 0 304.437 0.709 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000192029134 158573185 /nfs/dbraw/zinc/57/31/85/158573185.db2.gz DELWKWQPJSONDG-LOWVWBTDSA-N 1 0 305.444 0.448 10 0 DCAERO Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)sc1S(N)(=O)=O ZINC000261811687 158740537 /nfs/dbraw/zinc/74/05/37/158740537.db2.gz SJORZKLEKSOEMS-ULKQDVFKSA-N 1 0 316.452 0.818 10 0 DCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261864212 158747729 /nfs/dbraw/zinc/74/77/29/158747729.db2.gz CLVCVRWUUNDUNC-BEAPCOKYSA-N 1 0 322.409 0.033 10 0 DCAERO C[C@@H]1CN(C(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)C[C@H](C)O1 ZINC000261886402 158749585 /nfs/dbraw/zinc/74/95/85/158749585.db2.gz 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ZINC000262547823 158823779 /nfs/dbraw/zinc/82/37/79/158823779.db2.gz RYXPREDLZJQPRA-KGLIPLIRSA-N 1 0 310.442 0.174 10 0 DCAERO CCC[NH+]1CCN(c2nnc([C@@H]3COCCO3)n2CC)CC1 ZINC000328702851 159022155 /nfs/dbraw/zinc/02/21/55/159022155.db2.gz NXRCEFWDRYMHLB-ZDUSSCGKSA-N 1 0 309.414 0.918 10 0 DCAERO CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328725841 159024752 /nfs/dbraw/zinc/02/47/52/159024752.db2.gz ZHVBZYAXWRCHEC-OLZOCXBDSA-N 1 0 307.398 0.670 10 0 DCAERO CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328725844 159025094 /nfs/dbraw/zinc/02/50/94/159025094.db2.gz ZHVBZYAXWRCHEC-STQMWFEESA-N 1 0 307.398 0.670 10 0 DCAERO Cc1c[nH]nc1CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000328811366 159031578 /nfs/dbraw/zinc/03/15/78/159031578.db2.gz AXUYLHSOYPMSOY-AWEZNQCLSA-N 1 0 321.425 0.083 10 0 DCAERO Cc1cnn(CC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000328871359 159036233 /nfs/dbraw/zinc/03/62/33/159036233.db2.gz DLBLPYPFJGIUQE-CQSZACIVSA-N 1 0 312.439 0.691 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1C[C@H](C)O ZINC000328985051 159049860 /nfs/dbraw/zinc/04/98/60/159049860.db2.gz SZSAJUFCLWWHBW-YNEHKIRRSA-N 1 0 321.425 0.213 10 0 DCAERO CN(C(=O)[C@@H]1COCCN1CC1CCC1)[C@H]1CCN(C)C1=O ZINC000329286321 159079327 /nfs/dbraw/zinc/07/93/27/159079327.db2.gz MBVCHTUNDQUXMU-KBPBESRZSA-N 1 0 309.410 0.176 10 0 DCAERO CC[C@@H](C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)[NH+](C)C ZINC000125925603 286734362 /nfs/dbraw/zinc/73/43/62/286734362.db2.gz OXUQAHOYQCREDT-OLZOCXBDSA-N 1 0 317.455 0.353 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)O1 ZINC000329378007 159087439 /nfs/dbraw/zinc/08/74/39/159087439.db2.gz MGUDYLDYYKSJPI-XQLPTFJDSA-N 1 0 323.437 0.565 10 0 DCAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cncnc1 ZINC000329648807 159109007 /nfs/dbraw/zinc/10/90/07/159109007.db2.gz FEGVGYLUKOEYPP-ZDUSSCGKSA-N 1 0 304.394 0.731 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000330011893 159135078 /nfs/dbraw/zinc/13/50/78/159135078.db2.gz JQZNQSJBYHDLJR-GFCCVEGCSA-N 1 0 312.439 0.934 10 0 DCAERO CCc1nc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)no1 ZINC000330103762 159142260 /nfs/dbraw/zinc/14/22/60/159142260.db2.gz IUCFGBNHNNAIOO-LLVKDONJSA-N 1 0 308.382 0.957 10 0 DCAERO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H](C3CC3)C2)CC1=O ZINC000330172691 159147933 /nfs/dbraw/zinc/14/79/33/159147933.db2.gz GQSAOSAKOQYQDN-UONOGXRCSA-N 1 0 309.410 0.034 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330290360 159156983 /nfs/dbraw/zinc/15/69/83/159156983.db2.gz CJCJBWZZAGUIKI-XJKSGUPXSA-N 1 0 323.437 0.709 10 0 DCAERO COCCN1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1C ZINC000332751887 159212440 /nfs/dbraw/zinc/21/24/40/159212440.db2.gz CDJOFWOHMYCKKR-CFVMTHIKSA-N 1 0 311.426 0.916 10 0 DCAERO Cc1n[nH]c(C)c1CCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364930036 159275830 /nfs/dbraw/zinc/27/58/30/159275830.db2.gz CVCIBVOJTYMXMW-LBPRGKRZSA-N 1 0 308.426 0.874 10 0 DCAERO CC(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407973678 159999700 /nfs/dbraw/zinc/99/97/00/159999700.db2.gz YWQRNWYKZMNBKZ-ZDUSSCGKSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407970815 160000074 /nfs/dbraw/zinc/00/00/74/160000074.db2.gz DLIDASYYZOWEHZ-MGPQQGTHSA-N 1 0 310.442 0.979 10 0 DCAERO Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)[nH]n1 ZINC000407982076 160002756 /nfs/dbraw/zinc/00/27/56/160002756.db2.gz XEHUCQGFCBNAQK-GDBMZVCRSA-N 1 0 317.437 0.814 10 0 DCAERO COc1ccc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408015093 160011438 /nfs/dbraw/zinc/01/14/38/160011438.db2.gz ABEMLRNKWLXIDD-KBPBESRZSA-N 1 0 320.393 0.705 10 0 DCAERO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1nnc2n1CCCC2 ZINC000408034273 160017483 /nfs/dbraw/zinc/01/74/83/160017483.db2.gz DGNIVGAIEXRPFA-STQMWFEESA-N 1 0 318.425 0.182 10 0 DCAERO Cc1noc([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)n1 ZINC000408051976 160023507 /nfs/dbraw/zinc/02/35/07/160023507.db2.gz KBZURVIITMOFMV-OLZOCXBDSA-N 1 0 305.382 0.084 10 0 DCAERO CN(C)c1cnc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000408066418 160027080 /nfs/dbraw/zinc/02/70/80/160027080.db2.gz YBTZEHCWISAOCX-STQMWFEESA-N 1 0 305.382 0.088 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408078930 160031227 /nfs/dbraw/zinc/03/12/27/160031227.db2.gz GADCSMIGAVTQDG-QWRGUYRKSA-N 1 0 324.406 0.038 10 0 DCAERO C[C@H]1C[C@H](C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CCO1 ZINC000408143954 160046651 /nfs/dbraw/zinc/04/66/51/160046651.db2.gz FCQKSRBIFXWCGM-QWHCGFSZSA-N 1 0 309.410 0.224 10 0 DCAERO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000408185715 160055299 /nfs/dbraw/zinc/05/52/99/160055299.db2.gz MCAMMXQWSPQNDM-LLVKDONJSA-N 1 0 303.428 0.011 10 0 DCAERO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000408185795 160055384 /nfs/dbraw/zinc/05/53/84/160055384.db2.gz MQDFWPIGSRXNSP-ZDUSSCGKSA-N 1 0 317.455 0.212 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000408235976 160066312 /nfs/dbraw/zinc/06/63/12/160066312.db2.gz LALLFSFFWQBPAU-NWDGAFQWSA-N 1 0 300.428 0.771 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC[N@@H+]1C ZINC000408242761 160067919 /nfs/dbraw/zinc/06/79/19/160067919.db2.gz XWOYZVUUZYVGLF-GHMZBOCLSA-N 1 0 307.398 0.803 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(C(N)=O)co3)[C@@H]2C1 ZINC000408381884 160096786 /nfs/dbraw/zinc/09/67/86/160096786.db2.gz ALKMFWSRPUFIOQ-ZWNOBZJWSA-N 1 0 306.366 0.614 10 0 DCAERO CNS(=O)(=O)N1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000408456754 160112787 /nfs/dbraw/zinc/11/27/87/160112787.db2.gz LAECKBDNDRKEAX-AWEZNQCLSA-N 1 0 323.462 0.873 10 0 DCAERO C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C(N)=O ZINC000408473986 160116588 /nfs/dbraw/zinc/11/65/88/160116588.db2.gz WZTQKXCFZDXEEK-ZYHUDNBSSA-N 1 0 300.362 0.931 10 0 DCAERO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000333049042 286839823 /nfs/dbraw/zinc/83/98/23/286839823.db2.gz BSSDACBGARDKHY-UMSGYPCISA-N 1 0 302.440 0.861 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128747401 286984588 /nfs/dbraw/zinc/98/45/88/286984588.db2.gz JTRUZOSNMOCZAM-ZIAGYGMSSA-N 1 0 305.378 0.811 10 0 DCAERO CCOCC[N@@H+]1CCN(CCCNS(=O)(=O)CC)C[C@@H]1C ZINC000132548900 287005979 /nfs/dbraw/zinc/00/59/79/287005979.db2.gz ZOGLYUDORGIJQM-AWEZNQCLSA-N 1 0 321.487 0.358 10 0 DCAERO COCCCCS(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000136121600 287025636 /nfs/dbraw/zinc/02/56/36/287025636.db2.gz HWXLSTMRXBGDGR-UHFFFAOYSA-N 1 0 321.487 0.312 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000136670103 287026723 /nfs/dbraw/zinc/02/67/23/287026723.db2.gz XUGRGVGTIOMGOE-BPCQOVAHSA-N 1 0 317.455 0.593 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2CO)CC1=O ZINC000150965838 287031299 /nfs/dbraw/zinc/03/12/99/287031299.db2.gz GTVOHWVYZMHCBD-MCIONIFRSA-N 1 0 311.426 0.064 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1cccs1 ZINC000153240057 287048508 /nfs/dbraw/zinc/04/85/08/287048508.db2.gz YMAFAOQOLRPAHK-DTWKUNHWSA-N 1 0 310.379 0.065 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(-n2cncn2)c1 ZINC000153483961 287050695 /nfs/dbraw/zinc/05/06/95/287050695.db2.gz INANECYZNHZKTE-HNNXBMFYSA-N 1 0 303.366 0.310 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCc1cccnc1N(C)C ZINC000187122910 287058590 /nfs/dbraw/zinc/05/85/90/287058590.db2.gz INALVIBMDHWFFB-UHFFFAOYSA-N 1 0 309.414 0.261 10 0 DCAERO C[C@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245659642 287071490 /nfs/dbraw/zinc/07/14/90/287071490.db2.gz CZCVYSSZOSQJQN-RBSFLKMASA-N 1 0 312.458 0.831 10 0 DCAERO CCS(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245671397 287072050 /nfs/dbraw/zinc/07/20/50/287072050.db2.gz FLFIWTZPZXPKBU-RYUDHWBXSA-N 1 0 320.459 0.050 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246053277 287075687 /nfs/dbraw/zinc/07/56/87/287075687.db2.gz CPTXPTJEOBQNNM-MCIONIFRSA-N 1 0 319.471 0.614 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000246750646 287087393 /nfs/dbraw/zinc/08/73/93/287087393.db2.gz FUULSHMGTXLELU-AAVRWANBSA-N 1 0 311.426 0.772 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C[C@H]1CCCO1 ZINC000247095006 287091044 /nfs/dbraw/zinc/09/10/44/287091044.db2.gz JHSSWFBCSXMFRH-CHWSQXEVSA-N 1 0 306.428 0.196 10 0 DCAERO Cn1nnc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248647567 287098970 /nfs/dbraw/zinc/09/89/70/287098970.db2.gz ILKIHBHCHOWMKP-QJPTWQEYSA-N 1 0 322.413 0.945 10 0 DCAERO CCCCOC[C@H](O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000248644440 287099109 /nfs/dbraw/zinc/09/91/09/287099109.db2.gz FKESLMLGUIDWRN-OWCLPIDISA-N 1 0 302.459 0.941 10 0 DCAERO CC[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)CC[N@@H+]1C[C@H](C)O ZINC000248701759 287100077 /nfs/dbraw/zinc/10/00/77/287100077.db2.gz GHUDWXVQKBWOPF-DZGCQCFKSA-N 1 0 323.441 0.821 10 0 DCAERO CO[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[C@@H]1C ZINC000251919263 287120379 /nfs/dbraw/zinc/12/03/79/287120379.db2.gz SHHLEVNJZAUXBD-RRFJBIMHSA-N 1 0 312.458 0.689 10 0 DCAERO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000355347010 287180405 /nfs/dbraw/zinc/18/04/05/287180405.db2.gz VWNREPYMTYBDMU-JSGCOSHPSA-N 1 0 310.394 0.651 10 0 DCAERO CC[C@@H]1CN(CCn2c(C)csc2=O)CC[N@@H+]1C[C@@H](C)O ZINC000105825954 287196380 /nfs/dbraw/zinc/19/63/80/287196380.db2.gz RYUPNMWSHKCGRB-ZIAGYGMSSA-N 1 0 313.467 0.995 10 0 DCAERO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c(F)c1 ZINC000404808435 287232708 /nfs/dbraw/zinc/23/27/08/287232708.db2.gz BYQPUXPIAMRIJI-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000328789199 287262591 /nfs/dbraw/zinc/26/25/91/287262591.db2.gz PVCSQSRFWISDQR-CQSZACIVSA-N 1 0 311.426 0.568 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037629769 415195563 /nfs/dbraw/zinc/19/55/63/415195563.db2.gz 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415505695 /nfs/dbraw/zinc/50/56/95/415505695.db2.gz UDXSCOSXHNRVOZ-JTQLQIEISA-N 1 0 312.414 0.409 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104748601 415627406 /nfs/dbraw/zinc/62/74/06/415627406.db2.gz YGFABIJBTPTDQX-LBPRGKRZSA-N 1 0 300.428 0.609 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000105094015 415629040 /nfs/dbraw/zinc/62/90/40/415629040.db2.gz IFDVRKGELDKLMQ-HOTGVXAUSA-N 1 0 320.437 0.919 10 0 DCAERO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000105317755 415633359 /nfs/dbraw/zinc/63/33/59/415633359.db2.gz DGALAQLTATVCNC-UHFFFAOYSA-N 1 0 304.394 0.870 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333270506 415597480 /nfs/dbraw/zinc/59/74/80/415597480.db2.gz CJZUMHLWMBNVHU-UNJBNNCHSA-N 1 0 302.440 0.956 10 0 DCAERO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n(C)n1 ZINC000107284517 415662414 /nfs/dbraw/zinc/66/24/14/415662414.db2.gz PITBNFVVFGWWNH-HNNXBMFYSA-N 1 0 319.453 0.971 10 0 DCAERO Cc1noc(C)c1CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000107395038 415667574 /nfs/dbraw/zinc/66/75/74/415667574.db2.gz SVWILIOAUGZFCL-AWEZNQCLSA-N 1 0 324.425 0.980 10 0 DCAERO CN(C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000333536327 415675973 /nfs/dbraw/zinc/67/59/73/415675973.db2.gz IQCKURMHOOSTPT-RFBLXINOSA-N 1 0 301.390 0.689 10 0 DCAERO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333554610 415679785 /nfs/dbraw/zinc/67/97/85/415679785.db2.gz QOGFDXTXYQZWKR-WYTNZGFTSA-N 1 0 308.426 0.968 10 0 DCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000333564381 415686284 /nfs/dbraw/zinc/68/62/84/415686284.db2.gz LLSMDAJUZQOJGO-NBRWMIFNSA-N 1 0 319.409 0.629 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)CC1 ZINC000111867186 415701617 /nfs/dbraw/zinc/70/16/17/415701617.db2.gz FKTLDVHWFQGKOZ-ZDUSSCGKSA-N 1 0 312.414 0.004 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112130610 415703812 /nfs/dbraw/zinc/70/38/12/415703812.db2.gz DQFCCEISPJIITB-OAHLLOKOSA-N 1 0 323.441 0.944 10 0 DCAERO C[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000118772266 415733950 /nfs/dbraw/zinc/73/39/50/415733950.db2.gz LGBKPLKGZZOAOI-RYUDHWBXSA-N 1 0 324.425 0.553 10 0 DCAERO C[N@H+](CCNC(=O)N[C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000112749209 415714291 /nfs/dbraw/zinc/71/42/91/415714291.db2.gz YSNCWQYXLBGQJK-LBPRGKRZSA-N 1 0 306.414 0.767 10 0 DCAERO CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333923385 415764667 /nfs/dbraw/zinc/76/46/67/415764667.db2.gz SCHRKWCOZQCNJM-CABCVRRESA-N 1 0 312.458 0.785 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000333875517 415755547 /nfs/dbraw/zinc/75/55/47/415755547.db2.gz VHMLXCYUUSCIHX-IHRRRGAJSA-N 1 0 324.425 0.160 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1 ZINC000336841301 415830895 /nfs/dbraw/zinc/83/08/95/415830895.db2.gz RJODWZFEVXRBIC-RYUDHWBXSA-N 1 0 300.428 0.742 10 0 DCAERO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC1(O)CCCC1 ZINC000124322352 415848946 /nfs/dbraw/zinc/84/89/46/415848946.db2.gz CESPXMZOSGITFP-ZDUSSCGKSA-N 1 0 304.456 0.895 10 0 DCAERO CC(C)CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000120767885 415783134 /nfs/dbraw/zinc/78/31/34/415783134.db2.gz GDUGRIDPRMUIMI-UHFFFAOYSA-N 1 0 312.414 0.363 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000121174172 415797722 /nfs/dbraw/zinc/79/77/22/415797722.db2.gz NESPCWIWIUVITA-MRXNPFEDSA-N 1 0 322.409 0.028 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1 ZINC000334130409 415815269 /nfs/dbraw/zinc/81/52/69/415815269.db2.gz TWELQRXHTKGVAY-ZBFHGGJFSA-N 1 0 321.425 0.771 10 0 DCAERO CCCS(=O)(=O)NC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000152932822 415973272 /nfs/dbraw/zinc/97/32/72/415973272.db2.gz PVBRTOXBPONROU-UHFFFAOYSA-N 1 0 320.455 0.322 10 0 DCAERO C[NH+](C)C[C@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000155352821 415996089 /nfs/dbraw/zinc/99/60/89/415996089.db2.gz 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/nfs/dbraw/zinc/07/63/47/416076347.db2.gz DVZWJMPUGIMQFV-HUUCEWRRSA-N 1 0 310.442 0.444 10 0 DCAERO Cn1cc([C@@H](CNc2cnn(C)c(=O)c2Cl)[NH+](C)C)cn1 ZINC000301304798 416080525 /nfs/dbraw/zinc/08/05/25/416080525.db2.gz XSEJTWBJDRDUFR-LLVKDONJSA-N 1 0 310.789 0.882 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000159095775 416007890 /nfs/dbraw/zinc/00/78/90/416007890.db2.gz HEGCHLJXOGABQL-MNOVXSKESA-N 1 0 305.444 0.159 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000170833759 416035010 /nfs/dbraw/zinc/03/50/10/416035010.db2.gz WIABDDGEAMZMEY-CQSZACIVSA-N 1 0 322.384 0.901 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)NC(C)(C)C1=O ZINC000175036649 416094820 /nfs/dbraw/zinc/09/48/20/416094820.db2.gz COOKOONYHWOERB-QWHCGFSZSA-N 1 0 308.426 0.875 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000175959962 416116131 /nfs/dbraw/zinc/11/61/31/416116131.db2.gz OEGQPHBLWHPLGL-ZIAGYGMSSA-N 1 0 301.431 0.805 10 0 DCAERO C[C@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1N1CCOCC1 ZINC000177274545 416145105 /nfs/dbraw/zinc/14/51/05/416145105.db2.gz VDDDHQAZAZUPLC-ZFWWWQNUSA-N 1 0 307.394 0.548 10 0 DCAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177657234 416150343 /nfs/dbraw/zinc/15/03/43/416150343.db2.gz BGZWWJZDPWFYPQ-ZDUSSCGKSA-N 1 0 319.409 0.755 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000177880100 416154409 /nfs/dbraw/zinc/15/44/09/416154409.db2.gz XJJHQOUVUZNMFD-QWHCGFSZSA-N 1 0 306.414 0.576 10 0 DCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(C)(C)C)CC1 ZINC000177991113 416154664 /nfs/dbraw/zinc/15/46/64/416154664.db2.gz POXBCUAVGDOHCJ-CYBMUJFWSA-N 1 0 310.442 0.981 10 0 DCAERO CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174612666 416080742 /nfs/dbraw/zinc/08/07/42/416080742.db2.gz OHYFPSSSLZRESD-OLZOCXBDSA-N 1 0 313.442 0.452 10 0 DCAERO CCOCCOCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174616179 416081356 /nfs/dbraw/zinc/08/13/56/416081356.db2.gz 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ZINC000181503182 416208798 /nfs/dbraw/zinc/20/87/98/416208798.db2.gz GURRZYSFOYWRII-ZIAGYGMSSA-N 1 0 312.410 0.899 10 0 DCAERO CC[C@@H](C(=O)N1CCC(c2ccnn2CCO)CC1)[NH+](C)C ZINC000181934219 416212724 /nfs/dbraw/zinc/21/27/24/416212724.db2.gz WJCDEBVINUWWRE-AWEZNQCLSA-N 1 0 308.426 0.922 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000182124884 416213907 /nfs/dbraw/zinc/21/39/07/416213907.db2.gz CBRLJUNZEWOWFM-CYBMUJFWSA-N 1 0 314.426 0.881 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000184856934 416252056 /nfs/dbraw/zinc/25/20/56/416252056.db2.gz CZIFOXAYYSQPSQ-OLZOCXBDSA-N 1 0 309.414 0.407 10 0 DCAERO CCc1cc2c(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)oc2cc1O ZINC000185176758 416254841 /nfs/dbraw/zinc/25/48/41/416254841.db2.gz XYEHFOOQDMFNEE-CHWSQXEVSA-N 1 0 319.357 0.989 10 0 DCAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000186275865 416255743 /nfs/dbraw/zinc/25/57/43/416255743.db2.gz MGTODZMHWKEMOE-LBPRGKRZSA-N 1 0 319.471 0.695 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)C(=O)NCCn2cccc2)CC1 ZINC000358591317 416258433 /nfs/dbraw/zinc/25/84/33/416258433.db2.gz XQKZEBVWHFXODD-UHFFFAOYSA-N 1 0 304.394 0.373 10 0 DCAERO COc1ccc(O)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000187292646 416261217 /nfs/dbraw/zinc/26/12/17/416261217.db2.gz ILQGUUIPUAYZGX-UHFFFAOYSA-N 1 0 307.394 0.720 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000358674959 416266076 /nfs/dbraw/zinc/26/60/76/416266076.db2.gz JWIGPXSMINEZPU-HNNXBMFYSA-N 1 0 308.426 0.364 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000193919005 416321392 /nfs/dbraw/zinc/32/13/92/416321392.db2.gz XXRWPYREEGWDEY-MJBXVCDLSA-N 1 0 310.442 0.931 10 0 DCAERO CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000358824121 416279520 /nfs/dbraw/zinc/27/95/20/416279520.db2.gz JSNSFXLREDCSMW-FRRDWIJNSA-N 1 0 313.442 0.763 10 0 DCAERO COC(=O)[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000358851864 416283841 /nfs/dbraw/zinc/28/38/41/416283841.db2.gz 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416668842 /nfs/dbraw/zinc/66/88/42/416668842.db2.gz ODSUTCAKXOXMMB-LSDHHAIUSA-N 1 0 318.421 0.218 10 0 DCAERO COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000368619122 416675001 /nfs/dbraw/zinc/67/50/01/416675001.db2.gz NNZMLLRVTNSRFR-VHDGCEQUSA-N 1 0 324.421 0.803 10 0 DCAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CCCO ZINC000443102224 416732181 /nfs/dbraw/zinc/73/21/81/416732181.db2.gz OCTMGNIRIMEJHS-UHFFFAOYSA-N 1 0 318.443 0.064 10 0 DCAERO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CCO2 ZINC000558702491 416787315 /nfs/dbraw/zinc/78/73/15/416787315.db2.gz QNUQZXAVGOGBBV-FZKCQIBNSA-N 1 0 315.410 0.423 10 0 DCAERO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000443858356 416790967 /nfs/dbraw/zinc/79/09/67/416790967.db2.gz VZGNDFFMCAZVTM-CYBMUJFWSA-N 1 0 307.379 0.130 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CCCOCC4)C3)nn12 ZINC000624116377 416960931 /nfs/dbraw/zinc/96/09/31/416960931.db2.gz NUJJLFPEUGOEJW-STQMWFEESA-N 1 0 302.382 0.862 10 0 DCAERO CN(Cc1nnnn1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446592349 416936204 /nfs/dbraw/zinc/93/62/04/416936204.db2.gz WIIDSAUIPJTSKP-UHFFFAOYSA-N 1 0 317.397 0.978 10 0 DCAERO c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCOCC2)n1 ZINC000372706020 416943142 /nfs/dbraw/zinc/94/31/42/416943142.db2.gz LYYQOAMNISZKMQ-KBPBESRZSA-N 1 0 303.410 1.352 10 0 DCAERO COc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1C ZINC000624407842 417032571 /nfs/dbraw/zinc/03/25/71/417032571.db2.gz UPULCKRIEMWBSM-UHFFFAOYSA-N 1 0 302.396 0.647 10 0 DCAERO COc1cccc(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000565437311 416980976 /nfs/dbraw/zinc/98/09/76/416980976.db2.gz WMBVOVADKQQRFM-UHFFFAOYSA-N 1 0 321.421 0.764 10 0 DCAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000624237134 416988385 /nfs/dbraw/zinc/98/83/85/416988385.db2.gz QHBRMBMEESFROO-XDTLVQLUSA-N 1 0 300.380 0.134 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1Nc1cnn(C)c(=O)c1Br ZINC000389724749 417101617 /nfs/dbraw/zinc/10/16/17/417101617.db2.gz JQNMFTORJKSLEO-JGVFFNPUSA-N 1 0 301.188 0.953 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 ZINC000448503953 417080106 /nfs/dbraw/zinc/08/01/06/417080106.db2.gz ODUBPUCDRCBJID-UHFFFAOYSA-N 1 0 321.425 0.939 10 0 DCAERO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCS1(=O)=O ZINC000381176820 417085394 /nfs/dbraw/zinc/08/53/94/417085394.db2.gz PHEFBWUZBXFFJW-VEGXAWMVSA-N 1 0 300.424 0.599 10 0 DCAERO c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1nnnn1-c1ccccc1 ZINC000404995708 417121686 /nfs/dbraw/zinc/12/16/86/417121686.db2.gz KWYHOMPFRJPRRR-GFCCVEGCSA-N 1 0 310.365 0.769 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1nscc1Br ZINC000404822942 417121709 /nfs/dbraw/zinc/12/17/09/417121709.db2.gz UAXWFKFEFJSIMM-JTQLQIEISA-N 1 0 322.228 0.948 10 0 DCAERO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000407950804 417129158 /nfs/dbraw/zinc/12/91/58/417129158.db2.gz FORTYSRSHCXAKR-UONOGXRCSA-N 1 0 304.456 0.895 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000118772716 287349473 /nfs/dbraw/zinc/34/94/73/287349473.db2.gz HVZIHFQGFSOFNP-LLVKDONJSA-N 1 0 310.398 0.165 10 0 DCAERO CC(C)CN(C)S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000408136910 417144177 /nfs/dbraw/zinc/14/41/77/417144177.db2.gz HEXYWSDEAVIAMB-UHFFFAOYSA-N 1 0 307.460 0.208 10 0 DCAERO NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000408216805 417148662 /nfs/dbraw/zinc/14/86/62/417148662.db2.gz WSHJFQZIUHMHCD-OLZOCXBDSA-N 1 0 315.439 0.140 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000637964830 417257938 /nfs/dbraw/zinc/25/79/38/417257938.db2.gz MFMDXVUVCLFREM-HRCADAONSA-N 1 0 305.422 0.723 10 0 DCAERO Cn1nnc2cc(C[N@@H+]3CCC[C@@](O)(CC(N)=O)C3)ccc21 ZINC000643746070 417332966 /nfs/dbraw/zinc/33/29/66/417332966.db2.gz CHBNCASWRJDXQS-OAHLLOKOSA-N 1 0 303.366 0.171 10 0 DCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000644147296 417482635 /nfs/dbraw/zinc/48/26/35/417482635.db2.gz OHJLGGSNMXBFKM-RKDXNWHRSA-N 1 0 301.368 0.092 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CCO[C@@H]2C)CC1 ZINC000576117891 417581732 /nfs/dbraw/zinc/58/17/32/417581732.db2.gz LHMYCPVSXWFTFD-CJNGLKHVSA-N 1 0 313.442 0.948 10 0 DCAERO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000530806118 417589639 /nfs/dbraw/zinc/58/96/39/417589639.db2.gz GOFSBMHHIBGKJQ-GFCCVEGCSA-N 1 0 319.409 0.544 10 0 DCAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000457080858 417683881 /nfs/dbraw/zinc/68/38/81/417683881.db2.gz CKNANJYXQJICGU-PBHICJAKSA-N 1 0 321.421 0.540 10 0 DCAERO C[NH2+]CCOCCNc1ncc(Br)c(OC)n1 ZINC000630530045 417818042 /nfs/dbraw/zinc/81/80/42/417818042.db2.gz GXMASSFFMOQKBJ-UHFFFAOYSA-N 1 0 305.176 0.896 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000444146043 287416635 /nfs/dbraw/zinc/41/66/35/287416635.db2.gz PFYIIIRTXBRWDO-UHFFFAOYSA-N 1 0 305.369 0.948 10 0 DCAERO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000333647610 287531364 /nfs/dbraw/zinc/53/13/64/287531364.db2.gz VHRAYIZFKSUQGG-UPJWGTAASA-N 1 0 317.455 0.723 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1C#N ZINC000299745837 229385876 /nfs/dbraw/zinc/38/58/76/229385876.db2.gz STZZNVIBJADISM-GHMZBOCLSA-N 1 0 300.284 0.992 10 0 DCAERO C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCN1CCO ZINC000187678036 261123713 /nfs/dbraw/zinc/12/37/13/261123713.db2.gz XQQDVXJHNZTJGR-HNNXBMFYSA-N 1 0 317.433 0.964 10 0 DCAERO CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187910046 261124604 /nfs/dbraw/zinc/12/46/04/261124604.db2.gz MVCWGSGMODFQAR-XJKSGUPXSA-N 1 0 313.442 0.454 10 0 DCAERO C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](CO)O1 ZINC000190002480 261133521 /nfs/dbraw/zinc/13/35/21/261133521.db2.gz KAPUSCLPQXDIDK-VXGQWTEUSA-N 1 0 313.442 0.898 10 0 DCAERO O=C(NCCCn1ccnc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192804303 261139641 /nfs/dbraw/zinc/13/96/41/261139641.db2.gz SQHZPOSXMDLGPL-CQSZACIVSA-N 1 0 309.414 0.419 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCN1CCCS1(=O)=O ZINC000193512638 261142002 /nfs/dbraw/zinc/14/20/02/261142002.db2.gz BBDWMMVFECCVCD-CYBMUJFWSA-N 1 0 319.471 0.505 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000194706274 261147789 /nfs/dbraw/zinc/14/77/89/261147789.db2.gz YBFLYPSILAWWPA-AWEZNQCLSA-N 1 0 300.366 0.415 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194921194 261149463 /nfs/dbraw/zinc/14/94/63/261149463.db2.gz BGQPRRGYKFJFBO-TXEJJXNPSA-N 1 0 305.382 0.252 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000362663288 262057123 /nfs/dbraw/zinc/05/71/23/262057123.db2.gz LCSOIUGXVKNTNF-CYBMUJFWSA-N 1 0 300.366 0.495 10 0 DCAERO COc1ncc(NC(=O)CC2CC[NH+](C)CC2)cc1C(N)=O ZINC000362913282 262086156 /nfs/dbraw/zinc/08/61/56/262086156.db2.gz LWIMEPGWUAQJBC-UHFFFAOYSA-N 1 0 306.366 0.860 10 0 DCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000393050805 262161016 /nfs/dbraw/zinc/16/10/16/262161016.db2.gz PNNNPCDBGRXYBA-IONNQARKSA-N 1 0 301.188 0.939 10 0 DCAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000394555237 262162517 /nfs/dbraw/zinc/16/25/17/262162517.db2.gz IHIVGPMWIWPSLW-IUCAKERBSA-N 1 0 320.436 0.641 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000394762395 262162887 /nfs/dbraw/zinc/16/28/87/262162887.db2.gz GKLJHWAPWWBIBN-JTQLQIEISA-N 1 0 322.333 0.734 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000359590849 271127043 /nfs/dbraw/zinc/12/70/43/271127043.db2.gz UGLKPMISRVDCPT-UKRRQHHQSA-N 1 0 323.437 0.567 10 0 DCAERO CC(C)NS(=O)(=O)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363458775 271192499 /nfs/dbraw/zinc/19/24/99/271192499.db2.gz BEHFKRFVQGZVRS-KGLIPLIRSA-N 1 0 303.472 0.873 10 0 DCAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451135055 271890147 /nfs/dbraw/zinc/89/01/47/271890147.db2.gz MDAKTTYYQJPJTK-UONOGXRCSA-N 1 0 324.421 0.899 10 0 DCAERO O[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)Cn1ccnn1 ZINC000459691768 272003628 /nfs/dbraw/zinc/00/36/28/272003628.db2.gz GSYWRUYMPDGANJ-NSHDSACASA-N 1 0 324.768 0.853 10 0 DCAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459685859 272004215 /nfs/dbraw/zinc/00/42/15/272004215.db2.gz ABHFAYSONVDBGI-SMDDNHRTSA-N 1 0 321.356 0.785 10 0 DCAERO OC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC000459715373 272006938 /nfs/dbraw/zinc/00/69/38/272006938.db2.gz VCRJYXATPVWNCY-OUCADQQQSA-N 1 0 319.323 0.894 10 0 DCAERO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000493399439 272186108 /nfs/dbraw/zinc/18/61/08/272186108.db2.gz XSKGEXWHOVMMNK-NIPOFLEDSA-N 1 0 314.389 0.650 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(N)=O)C[C@H](c2ccccc2)O1 ZINC000193218596 274328959 /nfs/dbraw/zinc/32/89/59/274328959.db2.gz HFRWDBMDIDGMRK-MRVWCRGKSA-N 1 0 305.378 0.568 10 0 DCAERO c1nc2cncc(N3CC[NH+](CC[C@@H]4CCCO4)CC3)n2n1 ZINC000276220301 275076293 /nfs/dbraw/zinc/07/62/93/275076293.db2.gz LXLICFWHCNKZQM-ZDUSSCGKSA-N 1 0 302.382 0.815 10 0 DCAERO CC1(C)CN(CCN2C(=O)NC3(CCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000261804691 276132408 /nfs/dbraw/zinc/13/24/08/276132408.db2.gz WEYQEAMPDSUNEG-LBPRGKRZSA-N 1 0 308.426 0.910 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185012787 276643780 /nfs/dbraw/zinc/64/37/80/276643780.db2.gz SXQKWVWPRPEAQW-AWEZNQCLSA-N 1 0 319.409 0.964 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000329512891 277016303 /nfs/dbraw/zinc/01/63/03/277016303.db2.gz XWKPKIUVDYNDDE-FAAHXZRKSA-N 1 0 309.410 0.053 10 0 DCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000261668477 277038744 /nfs/dbraw/zinc/03/87/44/277038744.db2.gz GOESFBVXQRICCC-WCQYABFASA-N 1 0 307.419 0.926 10 0 DCAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000365779948 277039470 /nfs/dbraw/zinc/03/94/70/277039470.db2.gz CILXAIDKCXPORS-CABCVRRESA-N 1 0 324.469 0.833 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000094345625 277081700 /nfs/dbraw/zinc/08/17/00/277081700.db2.gz HMDUQUNZYGDISX-QMTHXVAHSA-N 1 0 311.407 0.921 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000094345623 277081722 /nfs/dbraw/zinc/08/17/22/277081722.db2.gz HMDUQUNZYGDISX-YGRLFVJLSA-N 1 0 311.407 0.921 10 0 DCAERO COCC(=O)N(C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000125387572 277479230 /nfs/dbraw/zinc/47/92/30/277479230.db2.gz HTLWASPWAZGCJM-CQSZACIVSA-N 1 0 307.394 0.510 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000408057630 278031267 /nfs/dbraw/zinc/03/12/67/278031267.db2.gz XDGRJLWKDQOGEO-GOEBONIOSA-N 1 0 311.426 0.303 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000250114709 278566009 /nfs/dbraw/zinc/56/60/09/278566009.db2.gz UGBOMABJWDMNDX-FRRDWIJNSA-N 1 0 317.389 0.915 10 0 DCAERO CCOC[C@@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000548025871 288103310 /nfs/dbraw/zinc/10/33/10/288103310.db2.gz BFLKGURBKTVVIG-AVGNSLFASA-N 1 0 316.377 0.624 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175609165 279106061 /nfs/dbraw/zinc/10/60/61/279106061.db2.gz RXKZYKGABZVTDW-HUUCEWRRSA-N 1 0 312.458 0.690 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000408216275 279111298 /nfs/dbraw/zinc/11/12/98/279111298.db2.gz VZOZVCWBSIBOEV-CYBMUJFWSA-N 1 0 306.428 0.149 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC000329198257 279113366 /nfs/dbraw/zinc/11/33/66/279113366.db2.gz ALDQLUSBAXUTLF-HZSPNIEDSA-N 1 0 306.410 0.359 10 0 DCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000262119354 279369140 /nfs/dbraw/zinc/36/91/40/279369140.db2.gz KMPCCQVTVRPBJV-RBSFLKMASA-N 1 0 305.426 0.802 10 0 DCAERO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000333049039 280145652 /nfs/dbraw/zinc/14/56/52/280145652.db2.gz BSSDACBGARDKHY-QNWHQSFQSA-N 1 0 302.440 0.861 10 0 DCAERO OCC1(CO)CNC2(CC[NH+](Cc3ccccc3)CC2)OC1 ZINC000004398952 280403975 /nfs/dbraw/zinc/40/39/75/280403975.db2.gz MSRYUYHRTXQFMG-UHFFFAOYSA-N 1 0 306.406 0.570 10 0 DCAERO CCCNC(=O)c1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000552439681 288275477 /nfs/dbraw/zinc/27/54/77/288275477.db2.gz VDJATQPFRHRHSU-GJZGRUSLSA-N 1 0 319.405 0.573 10 0 DCAERO C[NH+](C)CC1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCCC1 ZINC000373378910 282067851 /nfs/dbraw/zinc/06/78/51/282067851.db2.gz RSHXEBUDZHENJB-HNNXBMFYSA-N 1 0 324.469 0.834 10 0 DCAERO CC(C)[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1nncn1C ZINC000560477910 288505693 /nfs/dbraw/zinc/50/56/93/288505693.db2.gz ONWBMAJMHZWAID-RDBSUJKOSA-N 1 0 312.414 0.658 10 0 DCAERO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368793469 289334754 /nfs/dbraw/zinc/33/47/54/289334754.db2.gz WVWSGWBRXOPNCJ-HTQZYQBOSA-N 1 0 309.288 0.220 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1C ZINC000247019054 290110947 /nfs/dbraw/zinc/11/09/47/290110947.db2.gz CPSSIHRLFSNSBB-QWRGUYRKSA-N 1 0 311.348 0.394 10 0 DCAERO COC[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCCO1 ZINC000333794344 293125985 /nfs/dbraw/zinc/12/59/85/293125985.db2.gz MXEDUXRLKOFQNE-KBPBESRZSA-N 1 0 311.426 0.966 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000262279634 295303615 /nfs/dbraw/zinc/30/36/15/295303615.db2.gz KOFSYVULKXFRDX-QLFBSQMISA-N 1 0 323.437 0.601 10 0 DCAERO CS(=O)(=O)C1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000262562229 295475103 /nfs/dbraw/zinc/47/51/03/295475103.db2.gz QXLAIEMSUQEERN-CHWSQXEVSA-N 1 0 314.451 0.802 10 0 DCAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000261836250 295481084 /nfs/dbraw/zinc/48/10/84/295481084.db2.gz KKPWRCNLNLUXHY-LSDHHAIUSA-N 1 0 323.437 0.474 10 0 DCAERO C[C@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CC[N@@H+]1CC(C)(C)O ZINC000248674871 300175531 /nfs/dbraw/zinc/17/55/31/300175531.db2.gz IFRUXIJCHVPPPD-QWHCGFSZSA-N 1 0 311.426 0.349 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cn4c(n3)CCCC4)C[C@@H]12 ZINC000261994051 303472595 /nfs/dbraw/zinc/47/25/95/303472595.db2.gz FHDBLVOAMJFXAH-IJLUTSLNSA-N 1 0 310.423 0.577 10 0 DCAERO CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170844678 332885866 /nfs/dbraw/zinc/88/58/66/332885866.db2.gz QQQHSBHCEYPNEK-ZDUSSCGKSA-N 1 0 318.377 0.147 10 0 DCAERO CS(=O)(=O)c1ccc(N2CCOC3(CC[NH2+]CC3)C2)nc1 ZINC000584620388 337372698 /nfs/dbraw/zinc/37/26/98/337372698.db2.gz LWOFDJFZGUHYMQ-UHFFFAOYSA-N 1 0 311.407 0.444 10 0 DCAERO CC[NH+](CC)C[C@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2 ZINC000584623510 337375254 /nfs/dbraw/zinc/37/52/54/337375254.db2.gz XACXQJRABSEONP-CWRNSKLLSA-N 1 0 309.406 0.589 10 0 DCAERO CS(=O)(=O)c1ccc(N2CCC3(CC[NH2+]CC3)C2=O)cn1 ZINC000584624265 337375339 /nfs/dbraw/zinc/37/53/39/337375339.db2.gz NWQRBMRXUWMVFV-UHFFFAOYSA-N 1 0 309.391 0.592 10 0 DCAERO Cc1nc(CN2CC[NH+](CC3(O)CCOCC3)CC2)oc1C ZINC000153025750 534358505 /nfs/dbraw/zinc/35/85/05/534358505.db2.gz YKGZYLRDOUNLCE-UHFFFAOYSA-N 1 0 309.410 0.951 10 0 DCAERO CC(C)[C@H](O)CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000157602495 519822677 /nfs/dbraw/zinc/82/26/77/519822677.db2.gz OXVKWJOMEKUXTG-OAHLLOKOSA-N 1 0 320.437 0.857 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247514579 520844273 /nfs/dbraw/zinc/84/42/73/520844273.db2.gz MUSKTPUYYIIGDR-ZIAGYGMSSA-N 1 0 310.442 0.126 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000186249185 521602309 /nfs/dbraw/zinc/60/23/09/521602309.db2.gz IXNRUZFIYRUIRU-AWEZNQCLSA-N 1 0 324.425 0.485 10 0 DCAERO CC(=O)N(C)c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000427472036 534740288 /nfs/dbraw/zinc/74/02/88/534740288.db2.gz CVYKROFKVCQHQI-INIZCTEOSA-N 1 0 305.378 0.466 10 0 DCAERO C[C@@H](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CC[NH2+]CC1 ZINC000237339889 524360460 /nfs/dbraw/zinc/36/04/60/524360460.db2.gz MVXVJDPHIXAJHU-AAEUAGOBSA-N 1 0 317.455 0.162 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)CCO1 ZINC000249760024 524572740 /nfs/dbraw/zinc/57/27/40/524572740.db2.gz KVFGMLOVCPEBEY-STQMWFEESA-N 1 0 309.410 0.176 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CCO1 ZINC000157137980 524573157 /nfs/dbraw/zinc/57/31/57/524573157.db2.gz CKOGVVWZGKVVBQ-QWHCGFSZSA-N 1 0 309.410 0.224 10 0 DCAERO C[C@@H](CNC(=O)c1cnn2c1CCCC2)N1CC[NH+](C)CC1 ZINC000127084550 524728244 /nfs/dbraw/zinc/72/82/44/524728244.db2.gz MLYMCXYLLRSDAB-ZDUSSCGKSA-N 1 0 305.426 0.585 10 0 DCAERO C[C@](O)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCCCC1 ZINC000365144675 525174984 /nfs/dbraw/zinc/17/49/84/525174984.db2.gz GDYUWPTZNICKCJ-WBVHZDCISA-N 1 0 309.454 0.824 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000246580988 527365402 /nfs/dbraw/zinc/36/54/02/527365402.db2.gz VNNFBTFKXZXXKN-MXWKQRLJSA-N 1 0 314.332 0.948 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000246581963 527365783 /nfs/dbraw/zinc/36/57/83/527365783.db2.gz VRAKTQPVSCGQTG-BRWVUGGUSA-N 1 0 317.433 0.992 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246818113 527659286 /nfs/dbraw/zinc/65/92/86/527659286.db2.gz SDXNKHDCKQIBOV-AGIUHOORSA-N 1 0 307.394 0.562 10 0 DCAERO CC(C)OCCS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158929361 527992112 /nfs/dbraw/zinc/99/21/12/527992112.db2.gz PEMGHZSXTJGABL-ZDUSSCGKSA-N 1 0 308.444 0.178 10 0 DCAERO CCCCN(C)S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158975768 528364559 /nfs/dbraw/zinc/36/45/59/528364559.db2.gz QJNKPPGAAUZHFM-ZDUSSCGKSA-N 1 0 307.460 0.400 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000174094411 529229611 /nfs/dbraw/zinc/22/96/11/529229611.db2.gz RNJJUIXTLARIMJ-VXGBXAGGSA-N 1 0 323.359 0.538 10 0 DCAERO CCOC(=O)[C@H](N)Cn1cc(I)cn1 ZINC000070678606 545661560 /nfs/dbraw/zinc/66/15/60/545661560.db2.gz TZWDCEZIZAYOPG-SSDOTTSWSA-N 1 0 309.107 0.378 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089092009 545712970 /nfs/dbraw/zinc/71/29/70/545712970.db2.gz UDVWJWFPIPVOIC-WCBMZHEXSA-N 1 0 310.379 0.262 10 0 DCAERO O=C(NCCCn1ccnn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182467900 545905379 /nfs/dbraw/zinc/90/53/79/545905379.db2.gz UNUAEDJXVQSUHO-CQSZACIVSA-N 1 0 306.414 0.796 10 0 DCAERO O=C(NCCCn1ccnn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182473536 545905750 /nfs/dbraw/zinc/90/57/50/545905750.db2.gz VDXGCEAYEDSQMK-AWEZNQCLSA-N 1 0 322.413 0.032 10 0 DCAERO O=C(NCCCn1ccnn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000183516129 545908565 /nfs/dbraw/zinc/90/85/65/545908565.db2.gz QBAVTQJYCMPNHY-UHFFFAOYSA-N 1 0 322.413 0.174 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000183684144 545909251 /nfs/dbraw/zinc/90/92/51/545909251.db2.gz YCDUGSITZDXHRP-OAHLLOKOSA-N 1 0 307.394 0.672 10 0 DCAERO CCOc1cnc(C(=O)N2CCN(CCOC)[C@H](C)C2)cn1 ZINC000189660258 545921622 /nfs/dbraw/zinc/92/16/22/545921622.db2.gz VTRSAXBREQKRQR-GFCCVEGCSA-N 1 0 308.382 0.668 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000249233217 545970548 /nfs/dbraw/zinc/97/05/48/545970548.db2.gz KWGBDKXMYZGCKJ-STQMWFEESA-N 1 0 318.373 0.490 10 0 DCAERO O=C(Cc1ccccc1Br)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262283899 545982830 /nfs/dbraw/zinc/98/28/30/545982830.db2.gz OCBHGMFTIHAAAR-CMPLNLGQSA-N 1 0 313.195 0.688 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1csc(Br)c1 ZINC000262068204 545978434 /nfs/dbraw/zinc/97/84/34/545978434.db2.gz BJAXOIMEGXRHKT-HTQZYQBOSA-N 1 0 305.197 0.821 10 0 DCAERO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262146488 545979490 /nfs/dbraw/zinc/97/94/90/545979490.db2.gz HNMYLUWIOLVJIF-FZMZJTMJSA-N 1 0 310.781 0.999 10 0 DCAERO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262133137 545979625 /nfs/dbraw/zinc/97/96/25/545979625.db2.gz GQHYHTOVMDCTAW-ZFWWWQNUSA-N 1 0 314.389 0.799 10 0 DCAERO CC(=O)N(CCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000262137059 545979725 /nfs/dbraw/zinc/97/97/25/545979725.db2.gz GVQYQQOQTPLGMX-CVEARBPZSA-N 1 0 319.405 0.122 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)NC(=O)CS2 ZINC000262268172 545981884 /nfs/dbraw/zinc/98/18/84/545981884.db2.gz MSRRAIVICBIKLH-MWLCHTKSSA-N 1 0 307.375 0.041 10 0 DCAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262310403 545982535 /nfs/dbraw/zinc/98/25/35/545982535.db2.gz QIWNNCUOAHKDKU-SBMIAAHKSA-N 1 0 316.760 0.943 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1Br ZINC000262359211 545984566 /nfs/dbraw/zinc/98/45/66/545984566.db2.gz VAAAFGGIGDHOOT-WRWORJQWSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)s1 ZINC000262371297 545984442 /nfs/dbraw/zinc/98/44/42/545984442.db2.gz WDGGKDSZTSONJC-NKWVEPMBSA-N 1 0 305.197 0.821 10 0 DCAERO COc1ccc(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262356558 545984638 /nfs/dbraw/zinc/98/46/38/545984638.db2.gz UUUYIRYHSPTDMH-RISCZKNCSA-N 1 0 324.352 0.494 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cnc(-c2ccncc2)s1 ZINC000262407165 545984936 /nfs/dbraw/zinc/98/49/36/545984936.db2.gz 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CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCn1cncn1)C2 ZINC000888094794 661162439 /nfs/dbraw/zinc/16/24/39/661162439.db2.gz JPYBYAHXYQNLRT-RRCSTGOVSA-N 1 0 321.425 0.264 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cncn1C)C2 ZINC000888095340 661166091 /nfs/dbraw/zinc/16/60/91/661166091.db2.gz WHRSVJQZOCCBIZ-OEYIWLLWSA-N 1 0 306.410 0.630 10 0 DCAERO CC[C@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1C[C@H](C)O ZINC000246200817 657615402 /nfs/dbraw/zinc/61/54/02/657615402.db2.gz POMDVGUSAYXEAO-STQMWFEESA-N 1 0 307.460 0.348 10 0 DCAERO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000048603577 658426578 /nfs/dbraw/zinc/42/65/78/658426578.db2.gz UPOPYTQRLWJQCH-JTQLQIEISA-N 1 0 313.379 0.216 10 0 DCAERO C[C@@H]([NH3+])CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000261936631 658799334 /nfs/dbraw/zinc/79/93/34/658799334.db2.gz ZPVNPVWFANTIEF-CYBMUJFWSA-N 1 0 310.442 0.126 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000261804862 661709413 /nfs/dbraw/zinc/70/94/13/661709413.db2.gz SBSWACMCIKRKQU-SNVBAGLBSA-N 1 0 300.380 0.668 10 0 DCAERO O=S(=O)(CC1CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261921431 661833975 /nfs/dbraw/zinc/83/39/75/661833975.db2.gz YSWZDNDOIYOBFN-JTQLQIEISA-N 1 0 315.361 0.152 10 0 DCAERO COc1ccc([C@H]2[C@H](C(=O)NCC3C[NH2+]C3)CC(=O)N2C)cc1 ZINC000261940324 661893140 /nfs/dbraw/zinc/89/31/40/661893140.db2.gz GXFSCNKAIYZYGC-ZBFHGGJFSA-N 1 0 317.389 0.550 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCS(=O)(=O)C1 ZINC000721254186 662906626 /nfs/dbraw/zinc/90/66/26/662906626.db2.gz HHRQVPYDZMQJLL-SFTQSGBHSA-N 1 0 303.424 0.593 10 0 DCAERO Cc1nc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1C ZINC000250893716 663136376 /nfs/dbraw/zinc/13/63/76/663136376.db2.gz GLLOXFXOOXWICC-QWHCGFSZSA-N 1 0 312.439 0.881 10 0 DCAERO C/C=C\[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000908108492 663734054 /nfs/dbraw/zinc/73/40/54/663734054.db2.gz WUEFJRIEYOPHFI-ZQIWBQQGSA-N 1 0 306.410 0.856 10 0 DCAERO 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/nfs/dbraw/zinc/94/29/34/666942934.db2.gz LGUYSFSFVNXQNG-IRXDYDNUSA-N 1 0 318.465 0.904 10 0 DCAERO O=S(=O)(c1ccccc1NC[C@@H]1C[NH2+]C[C@H]1O)C(F)F ZINC000702858795 667005842 /nfs/dbraw/zinc/00/58/42/667005842.db2.gz JEDHWFZZOOPBJT-WCBMZHEXSA-N 1 0 306.334 0.675 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2cccc3c2OCO3)C[C@@H]1n1ccnn1 ZINC000862496628 667046143 /nfs/dbraw/zinc/04/61/43/667046143.db2.gz BAPHUJCJLOPVOC-KGLIPLIRSA-N 1 0 315.377 0.994 10 0 DCAERO CO[C@H](C)CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119718559 667193202 /nfs/dbraw/zinc/19/32/02/667193202.db2.gz KLMLDJULIPNMQT-CJNGLKHVSA-N 1 0 306.406 0.947 10 0 DCAERO Cn1cnc([C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2[NH3+])c1 ZINC000864341918 667245472 /nfs/dbraw/zinc/24/54/72/667245472.db2.gz ZAJZEGJFKNZNAR-VXGBXAGGSA-N 1 0 310.361 0.635 10 0 DCAERO [NH3+]CC1(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000705549850 667343842 /nfs/dbraw/zinc/34/38/42/667343842.db2.gz RVEULJSZHUXIIW-NSHDSACASA-N 1 0 320.480 0.685 10 0 DCAERO C[C@@H]1CN(C(=O)c2cnn(C)c2Br)C[C@@H]1C[NH3+] ZINC000708842800 667443902 /nfs/dbraw/zinc/44/39/02/667443902.db2.gz HOJWIYNWNNPJRR-SFYZADRCSA-N 1 0 301.188 0.849 10 0 DCAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](CO)C2CCC2)o1 ZINC000717616146 667873810 /nfs/dbraw/zinc/87/38/10/667873810.db2.gz VQBFRCHYVYQUPL-GFCCVEGCSA-N 1 0 302.396 0.781 10 0 DCAERO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccns2)CC1 ZINC000717802556 667984707 /nfs/dbraw/zinc/98/47/07/667984707.db2.gz HAOCAWSCZCXCSH-UHFFFAOYSA-N 1 0 305.425 0.662 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717063073 668146799 /nfs/dbraw/zinc/14/67/99/668146799.db2.gz CKAMVYQRPXHIHT-RKDXNWHRSA-N 1 0 303.350 0.783 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000717080083 668408657 /nfs/dbraw/zinc/40/86/57/668408657.db2.gz JFAHFKXAHZWPOJ-OPRDCNLKSA-N 1 0 316.345 0.707 10 0 DCAERO [NH3+][C@H]1CN(S(=O)(=O)N2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000717081884 668539469 /nfs/dbraw/zinc/53/94/69/668539469.db2.gz KYQZAHJDOYZQPN-UWVGGRQHSA-N 1 0 315.361 0.929 10 0 DCAERO C[NH+](C)C1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000127851379 669066673 /nfs/dbraw/zinc/06/66/73/669066673.db2.gz WAQHLKHVRTUPJP-UHFFFAOYSA-N 1 0 311.426 0.378 10 0 DCAERO CCOc1ccc([C@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040861097 669822634 /nfs/dbraw/zinc/82/26/34/669822634.db2.gz COINATFSYBVHIX-LBPRGKRZSA-N 1 0 313.423 0.886 10 0 DCAERO Cn1cc(CNC[C@H]2C[N@H+](C)CCN2C)c(Br)n1 ZINC000712469283 670149330 /nfs/dbraw/zinc/14/93/30/670149330.db2.gz HHBFLOBWGLTBOH-NSHDSACASA-N 1 0 316.247 0.518 10 0 DCAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000713006072 670152559 /nfs/dbraw/zinc/15/25/59/670152559.db2.gz YXEOVDLEODEKBM-LLVKDONJSA-N 1 0 307.460 0.394 10 0 DCAERO CN(CC[N@H+](C)CCO)Cc1cn(C)nc1Br ZINC000714095052 670178197 /nfs/dbraw/zinc/17/81/97/670178197.db2.gz CJBUOZSWIZZOKA-UHFFFAOYSA-N 1 0 305.220 0.539 10 0 DCAERO Cn1nccc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000714331402 670184065 /nfs/dbraw/zinc/18/40/65/670184065.db2.gz QPGWTYYOOFYOTF-UHFFFAOYSA-N 1 0 300.306 0.322 10 0 DCAERO O=C(C[C@H]1C[NH2+]CCO1)NCc1ncc(Br)s1 ZINC000714935603 670196861 /nfs/dbraw/zinc/19/68/61/670196861.db2.gz QUCPOOSHGIXIGI-ZETCQYMHSA-N 1 0 320.212 0.900 10 0 DCAERO O=S(=O)(NCc1nc2c(s1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000719636665 685310912 /nfs/dbraw/zinc/31/09/12/685310912.db2.gz DVKAJYSWIREIOQ-SECBINFHSA-N 1 0 301.437 0.803 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000720810860 685315811 /nfs/dbraw/zinc/31/58/11/685315811.db2.gz MDQWFDDFCXLSOZ-SFYZADRCSA-N 1 0 312.317 0.178 10 0 DCAERO CO[C@]1(C[NH2+]C[C@@](C)(O)C(F)(F)F)CCS(=O)(=O)C1 ZINC000720902157 685317000 /nfs/dbraw/zinc/31/70/00/685317000.db2.gz BTDZLRVOFHXLAG-BDAKNGLRSA-N 1 0 305.318 0.093 10 0 DCAERO CC1CCN(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000720894180 685317090 /nfs/dbraw/zinc/31/70/90/685317090.db2.gz SPFMTULRIKMOKY-NXEZZACHSA-N 1 0 315.361 0.785 10 0 DCAERO 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ZINC000332837633 282121424 /nfs/dbraw/zinc/12/14/24/282121424.db2.gz ZHECWMRSDJHJNN-MGPQQGTHSA-N 1 0 318.425 0.637 10 0 DCAERO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)S(C)(=O)=O ZINC000046170808 282131445 /nfs/dbraw/zinc/13/14/45/282131445.db2.gz BDQPEEGMYVIAPG-ZDUSSCGKSA-N 1 0 313.423 0.297 10 0 DCAERO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000408185716 282151835 /nfs/dbraw/zinc/15/18/35/282151835.db2.gz MCAMMXQWSPQNDM-NSHDSACASA-N 1 0 303.428 0.011 10 0 DCAERO CC[C@H](C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)[NH+](C)C ZINC000328628222 529599516 /nfs/dbraw/zinc/59/95/16/529599516.db2.gz GZTVDDVGRIAQRR-NWDGAFQWSA-N 1 0 300.403 0.021 10 0 DCAERO Cc1cn2c(ncc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2=O)s1 ZINC000092883625 185348003 /nfs/dbraw/zinc/34/80/03/185348003.db2.gz CFXWZMJAKWPPJA-JTQLQIEISA-N 1 0 306.391 0.888 10 0 DCAERO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000164021458 529920333 /nfs/dbraw/zinc/92/03/33/529920333.db2.gz GKGWVXNYIFUHDV-LBPRGKRZSA-N 1 0 301.456 0.980 10 0 DCAERO 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/nfs/dbraw/zinc/06/51/05/396065105.db2.gz HFDGDTXHFZUWOL-LBPRGKRZSA-N 1 0 323.359 0.755 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000261790980 396066519 /nfs/dbraw/zinc/06/65/19/396066519.db2.gz TUTPNZCWWHLILF-MRXNPFEDSA-N 1 0 317.389 0.191 10 0 DCAERO O=C1CCC(=O)N1CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249573774 396009458 /nfs/dbraw/zinc/00/94/58/396009458.db2.gz OYQHHNPEQMDIDG-STQMWFEESA-N 1 0 308.403 0.905 10 0 DCAERO CCc1nc([C@@H]2CN(C(=O)C[N@@H+](CC)C3CC3)CCO2)n[nH]1 ZINC000153103709 396020212 /nfs/dbraw/zinc/02/02/12/396020212.db2.gz GKGLYNFDHPOFBP-LBPRGKRZSA-N 1 0 307.398 0.751 10 0 DCAERO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262446472 396141112 /nfs/dbraw/zinc/14/11/12/396141112.db2.gz CSJCUOMFNZSLPD-HTOAHKCRSA-N 1 0 314.451 0.941 10 0 DCAERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277889256 396092818 /nfs/dbraw/zinc/09/28/18/396092818.db2.gz QJVSXSMAIYGTKY-LBPRGKRZSA-N 1 0 305.378 0.640 10 0 DCAERO CCn1cncc1S(=O)(=O)NCC1(COC)CC[NH2+]CC1 ZINC000262070084 396095257 /nfs/dbraw/zinc/09/52/57/396095257.db2.gz RZQPDSCTFHCVCZ-UHFFFAOYSA-N 1 0 316.427 0.198 10 0 DCAERO O=C(CC1CCCCC1)N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262453784 396141995 /nfs/dbraw/zinc/14/19/95/396141995.db2.gz FBBZDHNQSGRSDT-HUUCEWRRSA-N 1 0 323.437 0.350 10 0 DCAERO CN(C[C@@H]1COc2ccccc2O1)C(=O)C1([NH3+])CCOCC1 ZINC000262292062 396119176 /nfs/dbraw/zinc/11/91/76/396119176.db2.gz NJQBAXAMRPKJTA-GFCCVEGCSA-N 1 0 306.362 0.793 10 0 DCAERO CCc1cnc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)s1 ZINC000262352261 396128528 /nfs/dbraw/zinc/12/85/28/396128528.db2.gz HLJSSSLFVZGHDR-JQWIXIFHSA-N 1 0 310.423 0.077 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000262372004 396131529 /nfs/dbraw/zinc/13/15/29/396131529.db2.gz WVFLWBNHCYFTAE-DOMZBBRYSA-N 1 0 307.394 0.754 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000262372012 396132171 /nfs/dbraw/zinc/13/21/71/396132171.db2.gz WVFLWBNHCYFTAE-SWLSCSKDSA-N 1 0 307.394 0.754 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173908989 396136172 /nfs/dbraw/zinc/13/61/72/396136172.db2.gz XNNUUAFNFCUZNA-CABCVRRESA-N 1 0 310.442 0.444 10 0 DCAERO COCC(=O)N[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(C)C ZINC000261879484 396074793 /nfs/dbraw/zinc/07/47/93/396074793.db2.gz TYCDAIYRPIQUNG-GUTXKFCHSA-N 1 0 311.426 0.232 10 0 DCAERO COc1cc(OC)cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000262442188 396140479 /nfs/dbraw/zinc/14/04/79/396140479.db2.gz GXZGJXULLKJVOO-UHFFFAOYSA-N 1 0 321.377 0.208 10 0 DCAERO CC[C@@](C)(O)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000162502351 396081524 /nfs/dbraw/zinc/08/15/24/396081524.db2.gz SWZNRMJJNHPVCL-CQSZACIVSA-N 1 0 304.456 0.342 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263219898 396206859 /nfs/dbraw/zinc/20/68/59/396206859.db2.gz LREYDRCXYQZFAK-QWHCGFSZSA-N 1 0 317.380 0.554 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000263248405 396208987 /nfs/dbraw/zinc/20/89/87/396208987.db2.gz POBHMCFJPUULNH-ISTVAULSSA-N 1 0 323.422 0.772 10 0 DCAERO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262510948 396149572 /nfs/dbraw/zinc/14/95/72/396149572.db2.gz DDASLGWQEJWZEF-XQQFMLRXSA-N 1 0 317.455 0.353 10 0 DCAERO CC(C)[N@H+](CCO)CC(=O)NCCN1CCc2ccccc21 ZINC000176364459 396154929 /nfs/dbraw/zinc/15/49/29/396154929.db2.gz IHBAPLKKMDNTRK-UHFFFAOYSA-N 1 0 305.422 0.868 10 0 DCAERO Cc1cc(NC(=O)CC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177247230 396170487 /nfs/dbraw/zinc/17/04/87/396170487.db2.gz BYIYLAOBCXMEKP-GXTWGEPZSA-N 1 0 322.409 0.964 10 0 DCAERO CNC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000074750768 396171174 /nfs/dbraw/zinc/17/11/74/396171174.db2.gz KFEWZLYTXZVLMJ-CYBMUJFWSA-N 1 0 319.409 0.385 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000262729879 396176295 /nfs/dbraw/zinc/17/62/95/396176295.db2.gz HVATZHVVVWQJMG-RISCZKNCSA-N 1 0 307.369 0.599 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCN1C(=O)CCC1=O ZINC000177511895 396177789 /nfs/dbraw/zinc/17/77/89/396177789.db2.gz BWPZCXNTVXHFFU-LBPRGKRZSA-N 1 0 310.398 0.261 10 0 DCAERO Cc1cnn(CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000177532168 396177844 /nfs/dbraw/zinc/17/78/44/396177844.db2.gz XGISVGBKKJUXOF-UHFFFAOYSA-N 1 0 321.425 0.698 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262744237 396178021 /nfs/dbraw/zinc/17/80/21/396178021.db2.gz DDFQRLSTTXDEGY-MFKMUULPSA-N 1 0 311.407 0.323 10 0 DCAERO O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCCN1c1cccnn1 ZINC000262746467 396178717 /nfs/dbraw/zinc/17/87/17/396178717.db2.gz FUWKLLNXIXIOMD-QWHCGFSZSA-N 1 0 321.450 0.657 10 0 DCAERO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000262745981 396178730 /nfs/dbraw/zinc/17/87/30/396178730.db2.gz DVJQZLRJSIFTTH-ZYHUDNBSSA-N 1 0 314.407 0.980 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000262778736 396181493 /nfs/dbraw/zinc/18/14/93/396181493.db2.gz KQFMDTGQFGEKLG-ZDUSSCGKSA-N 1 0 311.407 0.581 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc3c2OCC(=O)N3)n1 ZINC000263295451 396211896 /nfs/dbraw/zinc/21/18/96/396211896.db2.gz WFOSEWZHNMTCDK-NSHDSACASA-N 1 0 315.333 0.644 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000075961084 396190940 /nfs/dbraw/zinc/19/09/40/396190940.db2.gz PCJLEKMNGSQGTO-HZPDHXFCSA-N 1 0 308.422 0.815 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccnc(N3CCCC3)n2)n1 ZINC000263287000 396212166 /nfs/dbraw/zinc/21/21/66/396212166.db2.gz VEHAHLWFADMRIX-GFCCVEGCSA-N 1 0 315.381 0.703 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000263083780 396200460 /nfs/dbraw/zinc/20/04/60/396200460.db2.gz LTQFJQLDYGCXIS-GMTAPVOTSA-N 1 0 310.423 0.962 10 0 DCAERO CC[C@@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000178622259 396200796 /nfs/dbraw/zinc/20/07/96/396200796.db2.gz ZZUHZKARKJSZFF-OLZOCXBDSA-N 1 0 321.425 0.680 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(NC(N)=O)cc2)n1 ZINC000263310206 396212620 /nfs/dbraw/zinc/21/26/20/396212620.db2.gz YKOANYHVRBDRFX-LLVKDONJSA-N 1 0 302.338 0.803 10 0 DCAERO C[C@@H](CCNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCCCC1 ZINC000182228826 396247828 /nfs/dbraw/zinc/24/78/28/396247828.db2.gz WNASIHDSWHCVFY-LBPRGKRZSA-N 1 0 324.425 0.698 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000183102377 396261554 /nfs/dbraw/zinc/26/15/54/396261554.db2.gz FUGRZGZFKBBTLG-ZDUSSCGKSA-N 1 0 320.393 0.267 10 0 DCAERO O=C(NCCCn1ccnn1)N1CCN(c2ccccn2)CC1 ZINC000183552195 396271096 /nfs/dbraw/zinc/27/10/96/396271096.db2.gz MEYFHWCLAZRXCX-UHFFFAOYSA-N 1 0 315.381 0.595 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000183622522 396272819 /nfs/dbraw/zinc/27/28/19/396272819.db2.gz WZALUXQCLJHMBQ-NEPJUHHUSA-N 1 0 314.430 0.296 10 0 DCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000178910798 396214456 /nfs/dbraw/zinc/21/44/56/396214456.db2.gz DQZZLAPVUXSEPD-SECBINFHSA-N 1 0 311.407 0.932 10 0 DCAERO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1C[NH2+]C1 ZINC000263333730 396214480 /nfs/dbraw/zinc/21/44/80/396214480.db2.gz VQSLPAOVXIZONB-LBPRGKRZSA-N 1 0 311.744 0.920 10 0 DCAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179180036 396223457 /nfs/dbraw/zinc/22/34/57/396223457.db2.gz XKFGGPHXUVUJOV-KCPJHIHWSA-N 1 0 310.369 0.773 10 0 DCAERO CC(C)[C@@H](O)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179293467 396224896 /nfs/dbraw/zinc/22/48/96/396224896.db2.gz ZWCZCXOTTPBXMJ-AWEZNQCLSA-N 1 0 300.447 0.329 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185013000 396314080 /nfs/dbraw/zinc/31/40/80/396314080.db2.gz NRICFEGHQQELBQ-AWEZNQCLSA-N 1 0 319.409 0.964 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185623465 396332187 /nfs/dbraw/zinc/33/21/87/396332187.db2.gz UFYGGHNGYNCULV-AWEZNQCLSA-N 1 0 312.458 0.738 10 0 DCAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000187096934 396363068 /nfs/dbraw/zinc/36/30/68/396363068.db2.gz JBQNNYYRJMEJNB-UONOGXRCSA-N 1 0 321.425 0.792 10 0 DCAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187151220 396364553 /nfs/dbraw/zinc/36/45/53/396364553.db2.gz WKMCKXJYKLVPPX-HIFRSBDPSA-N 1 0 318.483 0.900 10 0 DCAERO C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000186483290 396350562 /nfs/dbraw/zinc/35/05/62/396350562.db2.gz XXQQWONQQLHVEH-IAQYHMDHSA-N 1 0 318.377 0.346 10 0 DCAERO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188669332 396384348 /nfs/dbraw/zinc/38/43/48/396384348.db2.gz SNOUIAQBRGXJBJ-GANBNBROSA-N 1 0 324.450 0.865 10 0 DCAERO C[C@@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1n1ccnc1 ZINC000188948813 396389359 /nfs/dbraw/zinc/38/93/59/396389359.db2.gz FKHADGJSNCNDKL-RISCZKNCSA-N 1 0 314.393 0.975 10 0 DCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000189272998 396392861 /nfs/dbraw/zinc/39/28/61/396392861.db2.gz WCORTRUNLQTHJB-SNVBAGLBSA-N 1 0 308.357 0.947 10 0 DCAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000189322503 396393424 /nfs/dbraw/zinc/39/34/24/396393424.db2.gz MKKAAROQALAEEV-OCCSQVGLSA-N 1 0 310.369 0.914 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190019202 396401374 /nfs/dbraw/zinc/40/13/74/396401374.db2.gz FEOJOEMTWIKHPZ-ZDUSSCGKSA-N 1 0 319.409 0.754 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000190350430 396405050 /nfs/dbraw/zinc/40/50/50/396405050.db2.gz DMYJJQBHIVDCCN-NWDGAFQWSA-N 1 0 305.382 0.444 10 0 DCAERO COc1cccc([C@@H](CNC(=O)N2CC(CO)C2)[NH+](C)C)c1 ZINC000190473863 396406669 /nfs/dbraw/zinc/40/66/69/396406669.db2.gz NMHQCFPXFNCDFB-OAHLLOKOSA-N 1 0 307.394 0.932 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000191088454 396415103 /nfs/dbraw/zinc/41/51/03/396415103.db2.gz IYRNFKCGMKDGOS-TXEJJXNPSA-N 1 0 303.428 0.120 10 0 DCAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC(CO)C1 ZINC000191128500 396416082 /nfs/dbraw/zinc/41/60/82/396416082.db2.gz PAKKNFOMOXFIQD-UHFFFAOYSA-N 1 0 313.467 0.982 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[C@@H](O)C3)ccn2)CC1 ZINC000191155192 396416140 /nfs/dbraw/zinc/41/61/40/396416140.db2.gz OLYDOZPXOPYVLL-DZGCQCFKSA-N 1 0 318.421 0.724 10 0 DCAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000191265780 396417420 /nfs/dbraw/zinc/41/74/20/396417420.db2.gz NMTHGNDCEOEHPJ-YUMQZZPRSA-N 1 0 311.304 0.608 10 0 DCAERO Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000191955075 396427674 /nfs/dbraw/zinc/42/76/74/396427674.db2.gz ZZHLCCXEZJVZIX-UHFFFAOYSA-N 1 0 315.377 0.797 10 0 DCAERO CC(C)[C@H]([NH2+]CCN1CCOC[C@H]1C)C(=O)N1CCOCC1 ZINC000192784441 396437585 /nfs/dbraw/zinc/43/75/85/396437585.db2.gz WPGPPPILGWOVFK-CABCVRRESA-N 1 0 313.442 0.180 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cn1 ZINC000192922104 396440018 /nfs/dbraw/zinc/44/00/18/396440018.db2.gz JWYSFBBGLJCPKO-GFCCVEGCSA-N 1 0 324.356 0.122 10 0 DCAERO Cn1c2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH]c1=O ZINC000269738711 396441818 /nfs/dbraw/zinc/44/18/18/396441818.db2.gz IYHWSKQPHKOYJZ-LBPRGKRZSA-N 1 0 300.362 0.787 10 0 DCAERO COCC(=O)NC1CN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000188242341 396380397 /nfs/dbraw/zinc/38/03/97/396380397.db2.gz QZFZIQCTBYHJDS-UHFFFAOYSA-N 1 0 312.414 0.019 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372221588 396498086 /nfs/dbraw/zinc/49/80/86/396498086.db2.gz JUXYUXSMWATCMB-FRRDWIJNSA-N 1 0 303.428 0.168 10 0 DCAERO C[C@H]([NH3+])CCC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000193322452 396448843 /nfs/dbraw/zinc/44/88/43/396448843.db2.gz HYISRTCPPOGMIK-KBPBESRZSA-N 1 0 310.442 0.269 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)n1 ZINC000193312706 396448971 /nfs/dbraw/zinc/44/89/71/396448971.db2.gz YVUCAIFYCVQUJF-NEPJUHHUSA-N 1 0 309.414 0.965 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000193322465 396448998 /nfs/dbraw/zinc/44/89/98/396448998.db2.gz HYISRTCPPOGMIK-KGLIPLIRSA-N 1 0 310.442 0.269 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]n1 ZINC000372051658 396485369 /nfs/dbraw/zinc/48/53/69/396485369.db2.gz PJJFNLIEMWNLRA-NILFDRSVSA-N 1 0 321.425 0.812 10 0 DCAERO O=C(NC1CCN(c2cccc(F)c2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372889899 396551737 /nfs/dbraw/zinc/55/17/37/396551737.db2.gz VWKONXCVSIZNIZ-LSDHHAIUSA-N 1 0 307.369 0.634 10 0 DCAERO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1 ZINC000292940680 396577869 /nfs/dbraw/zinc/57/78/69/396577869.db2.gz JUYXHPIEFIXXTB-HNNXBMFYSA-N 1 0 304.398 0.921 10 0 DCAERO CC(=O)[C@@](C)(O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595719982 396651971 /nfs/dbraw/zinc/65/19/71/396651971.db2.gz GDOACWNBWUNMIL-UHOFOFEASA-N 1 0 313.394 0.617 10 0 DCAERO CCn1ccnc(N2CCN(C)[C@H](c3nccn3C)C2)c1=O ZINC000373684976 396606824 /nfs/dbraw/zinc/60/68/24/396606824.db2.gz WIGVMDZOABJFNR-LBPRGKRZSA-N 1 0 302.382 0.490 10 0 DCAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000373848844 396617860 /nfs/dbraw/zinc/61/78/60/396617860.db2.gz DORALLVUQFDSRY-MRXNPFEDSA-N 1 0 317.345 0.786 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCSC[C@H]1CCO ZINC000561143678 396630847 /nfs/dbraw/zinc/63/08/47/396630847.db2.gz AXLSYDHBWBQELI-BNOWGMLFSA-N 1 0 313.467 0.979 10 0 DCAERO C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC(=O)N1C ZINC000374475901 396667054 /nfs/dbraw/zinc/66/70/54/396667054.db2.gz NUUOLGLTWFOPFI-AWEZNQCLSA-N 1 0 323.437 0.711 10 0 DCAERO CN(C)c1ncccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563207052 396713682 /nfs/dbraw/zinc/71/36/82/396713682.db2.gz LCBOUZDHZCTBGO-ZDUSSCGKSA-N 1 0 318.421 0.975 10 0 DCAERO CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000302565937 396720873 /nfs/dbraw/zinc/72/08/73/396720873.db2.gz NHRIXUNPEORNHZ-CYBMUJFWSA-N 1 0 318.425 0.651 10 0 DCAERO CCn1cnnc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590343818 396760811 /nfs/dbraw/zinc/76/08/11/396760811.db2.gz SAQZGPXIFWLRBM-UHFFFAOYSA-N 1 0 306.374 0.378 10 0 DCAERO C[C@@H](Cc1ccsc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000311988631 396761987 /nfs/dbraw/zinc/76/19/87/396761987.db2.gz NZKKAKZXJBDWDQ-JQWIXIFHSA-N 1 0 304.437 0.587 10 0 DCAERO CCN1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1c1nccn1C ZINC000328625933 396825348 /nfs/dbraw/zinc/82/53/48/396825348.db2.gz LEBHYWBDNUVYDC-CQSZACIVSA-N 1 0 307.442 0.967 10 0 DCAERO CC(=O)N[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)C(C)C ZINC000617768619 396825345 /nfs/dbraw/zinc/82/53/45/396825345.db2.gz MSFVZFYTTYEKMS-CQSZACIVSA-N 1 0 300.447 0.147 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1 ZINC000629590365 396801502 /nfs/dbraw/zinc/80/15/02/396801502.db2.gz WVHIWUKHJZFWQU-PVAVHDDUSA-N 1 0 323.389 0.758 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000569886971 396921350 /nfs/dbraw/zinc/92/13/50/396921350.db2.gz MWMSBJQATZWZAF-KCPJHIHWSA-N 1 0 321.421 0.223 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)[C@](C)(C[NH3+])C1 ZINC000630359742 396994094 /nfs/dbraw/zinc/99/40/94/396994094.db2.gz DTFZYYMUIDAHEF-AVGNSLFASA-N 1 0 305.444 0.401 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@@](C)(C[NH3+])C1 ZINC000630360877 396994192 /nfs/dbraw/zinc/99/41/92/396994192.db2.gz HOFUADHFCRYZRX-GXSJLCMTSA-N 1 0 305.425 0.578 10 0 DCAERO CC(=O)N1CCC([NH2+]CCOCC(=O)OC(C)(C)C)CC1 ZINC000601145877 397009418 /nfs/dbraw/zinc/00/94/18/397009418.db2.gz ULUJOKMHIAEUMQ-UHFFFAOYSA-N 1 0 300.399 0.945 10 0 DCAERO C[C@H](C[S@@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000612313731 397029147 /nfs/dbraw/zinc/02/91/47/397029147.db2.gz QKLGQTKOQPYOBR-CFMSYZGJSA-N 1 0 301.416 0.333 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H](CCF)C2)CC1 ZINC000626001697 397051214 /nfs/dbraw/zinc/05/12/14/397051214.db2.gz WTIWLYNQLXMZGT-JSGCOSHPSA-N 1 0 315.389 0.126 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000378016476 397179446 /nfs/dbraw/zinc/17/94/46/397179446.db2.gz DSFIOAPGNMPYMQ-TUVASFSCSA-N 1 0 322.453 0.977 10 0 DCAERO c1[nH]nc2c1CC[C@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000631091023 397167830 /nfs/dbraw/zinc/16/78/30/397167830.db2.gz OEVGGKQOYAYGLW-YPMHNXCESA-N 1 0 302.382 0.685 10 0 DCAERO CN1CCN(C(=O)c2coc(Br)c2)[C@@H](C[NH3+])C1 ZINC000383370262 397276817 /nfs/dbraw/zinc/27/68/17/397276817.db2.gz YLOLEBTYPULWPP-VIFPVBQESA-N 1 0 302.172 0.757 10 0 DCAERO Cc1nc(N[C@H](CC[NH3+])C(F)F)sc1S(N)(=O)=O ZINC000383401263 397276851 /nfs/dbraw/zinc/27/68/51/397276851.db2.gz SGRXJGBYKQYISM-RXMQYKEDSA-N 1 0 300.356 0.493 10 0 DCAERO C[C@@H]1CN(C(=O)[C@]2(C)CCCNC2=O)CC[N@@H+]1CC(C)(C)O ZINC000365253991 397253854 /nfs/dbraw/zinc/25/38/54/397253854.db2.gz ASKPXRXXUABKLG-MLGOLLRUSA-N 1 0 311.426 0.206 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106532 397338137 /nfs/dbraw/zinc/33/81/37/397338137.db2.gz UNPYYAWDVFCBAH-RKDXNWHRSA-N 1 0 318.420 0.954 10 0 DCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CCO1 ZINC000370169729 397450312 /nfs/dbraw/zinc/45/03/12/397450312.db2.gz BALHTYWTQSAADI-MGPQQGTHSA-N 1 0 306.410 0.906 10 0 DCAERO Cc1nnc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)[nH]1 ZINC000605422543 397664262 /nfs/dbraw/zinc/66/42/62/397664262.db2.gz HPNXIAIJLINKEG-HNNXBMFYSA-N 1 0 314.393 0.457 10 0 DCAERO COCCn1cc(C[NH2+]CCCN2CCCS2(=O)=O)cn1 ZINC000608055645 397714995 /nfs/dbraw/zinc/71/49/95/397714995.db2.gz CFUJWCXXYCHWEP-UHFFFAOYSA-N 1 0 316.427 0.045 10 0 DCAERO CNS(=O)(=O)CCC[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000609614378 397785689 /nfs/dbraw/zinc/78/56/89/397785689.db2.gz ZLIAIQJAMPWFGU-NSHDSACASA-N 1 0 304.412 0.201 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)N(C(C)=O)C1 ZINC000329917009 286104092 /nfs/dbraw/zinc/10/40/92/286104092.db2.gz ZDTSHCREAUURMS-UQOMUDLDSA-N 1 0 309.410 0.317 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC)C12CCOCC2 ZINC000187175674 286387076 /nfs/dbraw/zinc/38/70/76/286387076.db2.gz UDDDZYMBJZYZNC-NWDGAFQWSA-N 1 0 306.428 0.099 10 0 DCAERO CCOCCOCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000056984268 158023883 /nfs/dbraw/zinc/02/38/83/158023883.db2.gz OZJMBLZACVIKNY-AWEZNQCLSA-N 1 0 301.431 0.039 10 0 DCAERO Cc1cnc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000057065575 158024194 /nfs/dbraw/zinc/02/41/94/158024194.db2.gz QMRUYBQVLJHECZ-UHFFFAOYSA-N 1 0 317.437 0.885 10 0 DCAERO CNC(=O)[C@H]1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000074362950 158058254 /nfs/dbraw/zinc/05/82/54/158058254.db2.gz GQUKQIDROTVGPO-CQSZACIVSA-N 1 0 323.437 0.759 10 0 DCAERO O=C(NCCCN1CCOC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000077526504 158067956 /nfs/dbraw/zinc/06/79/56/158067956.db2.gz KXYJBGFYPQRTGO-UHFFFAOYSA-N 1 0 310.398 0.708 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000078378313 158073065 /nfs/dbraw/zinc/07/30/65/158073065.db2.gz SODZOCMAINGKEY-ZDUSSCGKSA-N 1 0 317.455 0.401 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000081494501 158083509 /nfs/dbraw/zinc/08/35/09/158083509.db2.gz ZWSSDMWITKOAQD-RBSFLKMASA-N 1 0 313.442 0.948 10 0 DCAERO 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CCCNC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165173346 158364969 /nfs/dbraw/zinc/36/49/69/158364969.db2.gz RPQHXWDJSGLFCW-KBPBESRZSA-N 1 0 324.469 0.611 10 0 DCAERO Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000168107302 158370986 /nfs/dbraw/zinc/37/09/86/158370986.db2.gz JTZZUJSHAZUDPT-DRZSPHRISA-N 1 0 307.398 0.711 10 0 DCAERO CCc1nc(CN2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)no1 ZINC000168457801 158372358 /nfs/dbraw/zinc/37/23/58/158372358.db2.gz DSAOQGQCFXXMEX-STQMWFEESA-N 1 0 321.425 0.794 10 0 DCAERO C[C@@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)cn2)C[C@H](C)O1 ZINC000170756792 158376190 /nfs/dbraw/zinc/37/61/90/158376190.db2.gz CUZWQDRQFSKGDB-BETUJISGSA-N 1 0 306.410 0.873 10 0 DCAERO CSCC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171559264 158384869 /nfs/dbraw/zinc/38/48/69/158384869.db2.gz NIKAJADFHXSVPO-AWEZNQCLSA-N 1 0 315.483 0.603 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171907551 158388141 /nfs/dbraw/zinc/38/81/41/158388141.db2.gz PKVIAKUIZTVQOR-LBPRGKRZSA-N 1 0 308.382 0.015 10 0 DCAERO CCOC(=O)CCCNC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172036145 158390242 /nfs/dbraw/zinc/39/02/42/158390242.db2.gz JFAAENXSWCYDRG-OCZCAGDBSA-N 1 0 312.410 0.539 10 0 DCAERO CN1CCC(CNC(=O)C2=COCCO2)([NH+]2CCCCC2)CC1 ZINC000172751864 158398661 /nfs/dbraw/zinc/39/86/61/158398661.db2.gz WXWALRYYQZZXGQ-UHFFFAOYSA-N 1 0 323.437 0.941 10 0 DCAERO O=c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000172773326 158399372 /nfs/dbraw/zinc/39/93/72/158399372.db2.gz HEOOMJKEZHVBOW-CQSZACIVSA-N 1 0 314.389 0.853 10 0 DCAERO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178089719 158453508 /nfs/dbraw/zinc/45/35/08/158453508.db2.gz KHONPKNVBVOXDV-AVGNSLFASA-N 1 0 317.455 0.351 10 0 DCAERO Nc1cc[nH+]cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000212096695 158613010 /nfs/dbraw/zinc/61/30/10/158613010.db2.gz SXTFEBAOHRNSLO-UHFFFAOYSA-N 1 0 306.347 0.241 10 0 DCAERO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261894179 158751464 /nfs/dbraw/zinc/75/14/64/158751464.db2.gz GWNHETQGKVSZJO-OAGGEKHMSA-N 1 0 311.470 0.844 10 0 DCAERO O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000261923104 158754232 /nfs/dbraw/zinc/75/42/32/158754232.db2.gz RUNLBDGZVDGHJC-OAHLLOKOSA-N 1 0 324.375 0.883 10 0 DCAERO [NH3+][C@H](CNC(=O)CCc1nc(-c2ccncc2)no1)C1CC1 ZINC000261966584 158760182 /nfs/dbraw/zinc/76/01/82/158760182.db2.gz SWCIBRKREKXKIL-GFCCVEGCSA-N 1 0 301.350 0.918 10 0 DCAERO C[C@]1(C[NH3+])CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000262035024 158765755 /nfs/dbraw/zinc/76/57/55/158765755.db2.gz PRLFOMAHEKTJTH-MRXNPFEDSA-N 1 0 316.361 0.299 10 0 DCAERO CC(C)n1ncc2cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cnc21 ZINC000262117542 158775413 /nfs/dbraw/zinc/77/54/13/158775413.db2.gz FRZAOEJDLZPTAC-QWHCGFSZSA-N 1 0 303.366 0.322 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1Cn1cccn1 ZINC000262154367 158779328 /nfs/dbraw/zinc/77/93/28/158779328.db2.gz HYXWHLVTIPNPSP-ZFWWWQNUSA-N 1 0 300.362 0.242 10 0 DCAERO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262293333 158793705 /nfs/dbraw/zinc/79/37/05/158793705.db2.gz OWXZJEGHTRSQPO-TZMCWYRMSA-N 1 0 320.393 0.527 10 0 DCAERO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262364745 158803496 /nfs/dbraw/zinc/80/34/96/158803496.db2.gz VLMTZDHIAIZWTI-PWSUYJOCSA-N 1 0 318.295 0.824 10 0 DCAERO O=C(NC[C@@H]1COC2(CCCC2)O1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262764247 158839670 /nfs/dbraw/zinc/83/96/70/158839670.db2.gz GUPZABBGOQSJHV-SNVBAGLBSA-N 1 0 306.366 0.471 10 0 DCAERO Cc1nccn1-c1cncc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328951623 159045782 /nfs/dbraw/zinc/04/57/82/159045782.db2.gz LSXJUJNDTVBEHI-KGLIPLIRSA-N 1 0 314.393 0.880 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)CC2CCOCC2)[N@H+](C)C1 ZINC000328958055 159047301 /nfs/dbraw/zinc/04/73/01/159047301.db2.gz OIQCJBWSLYLKPE-KBPBESRZSA-N 1 0 320.455 0.394 10 0 DCAERO CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000328984573 159049650 /nfs/dbraw/zinc/04/96/50/159049650.db2.gz ZHKNJQHTOXZNKX-KBPBESRZSA-N 1 0 321.425 0.723 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCc3n[nH]nc3C2)[N@H+](C)C1 ZINC000329104814 159061725 /nfs/dbraw/zinc/06/17/25/159061725.db2.gz DPHCNCWPFDLLIH-SRVKXCTJSA-N 1 0 307.398 0.087 10 0 DCAERO COCc1cc(N2CC[NH+](C3CCC3)CC2)n2ncnc2n1 ZINC000329320597 159082005 /nfs/dbraw/zinc/08/20/05/159082005.db2.gz DZULMARNOSFUKB-UHFFFAOYSA-N 1 0 302.382 0.945 10 0 DCAERO CN(C(=O)CSc1nnnn1C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329350470 159084880 /nfs/dbraw/zinc/08/48/80/159084880.db2.gz FCRORDKLBWTOMU-GFCCVEGCSA-N 1 0 322.438 0.653 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCCCC1 ZINC000329374589 159086503 /nfs/dbraw/zinc/08/65/03/159086503.db2.gz LCSXCUGJYRYSPO-ZDUSSCGKSA-N 1 0 305.444 0.418 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000329409120 159089739 /nfs/dbraw/zinc/08/97/39/159089739.db2.gz BEFJKXCWDJPRJK-YPMHNXCESA-N 1 0 303.428 0.026 10 0 DCAERO COCCN1C[C@@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1=O ZINC000329494145 159097496 /nfs/dbraw/zinc/09/74/96/159097496.db2.gz UNHHELGRAWBVLN-KBPBESRZSA-N 1 0 309.410 0.034 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)nc(C)n2)CC1 ZINC000329690751 159113026 /nfs/dbraw/zinc/11/30/26/159113026.db2.gz WEMLHZUIEGVQST-CYBMUJFWSA-N 1 0 305.426 0.849 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1N1CCOCC1 ZINC000329728951 159115055 /nfs/dbraw/zinc/11/50/55/159115055.db2.gz HJSYGGIWZFIHMQ-MGPQQGTHSA-N 1 0 309.410 0.922 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)N1CCCCC1 ZINC000333016136 159219032 /nfs/dbraw/zinc/21/90/32/159219032.db2.gz YFUSHHDNKCHMOE-NOLJZWGESA-N 1 0 323.437 0.661 10 0 DCAERO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000366876070 159294534 /nfs/dbraw/zinc/29/45/34/159294534.db2.gz XIEUHPAQYFOWFU-CYBMUJFWSA-N 1 0 312.410 0.945 10 0 DCAERO O=C(Nc1ccc(N2CCC2=O)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000366885990 159295554 /nfs/dbraw/zinc/29/55/54/159295554.db2.gz AZNLQQZNLXUZRL-HNNXBMFYSA-N 1 0 314.389 0.752 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000367491918 159341288 /nfs/dbraw/zinc/34/12/88/159341288.db2.gz AVNSZOULYFWUDR-KRWDZBQOSA-N 1 0 314.389 0.744 10 0 DCAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)cc(=O)[nH]3)C2)CC1 ZINC000408005624 160008985 /nfs/dbraw/zinc/00/89/85/160008985.db2.gz XSGNFCQSUAWXEC-CQSZACIVSA-N 1 0 318.421 0.948 10 0 DCAERO Cc1noc(CCCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408042529 160020223 /nfs/dbraw/zinc/02/02/23/160020223.db2.gz RYOWYRBFMCRMCF-OLZOCXBDSA-N 1 0 308.382 0.632 10 0 DCAERO C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000408041777 160020409 /nfs/dbraw/zinc/02/04/09/160020409.db2.gz OKCHOYALQCWHFW-MCIONIFRSA-N 1 0 309.410 0.176 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000408043956 160021547 /nfs/dbraw/zinc/02/15/47/160021547.db2.gz LPRIVJGMFLHNGT-INIZCTEOSA-N 1 0 309.410 0.103 10 0 DCAERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049893 160023693 /nfs/dbraw/zinc/02/36/93/160023693.db2.gz BCBLYFUMYVPPPS-GOEBONIOSA-N 1 0 311.426 0.303 10 0 DCAERO Cc1cnn(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408068143 160027193 /nfs/dbraw/zinc/02/71/93/160027193.db2.gz GZMGZVZUGIWIQD-RYUDHWBXSA-N 1 0 300.428 0.832 10 0 DCAERO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408140080 160046098 /nfs/dbraw/zinc/04/60/98/160046098.db2.gz QGDIGYWBVUHHMZ-STQMWFEESA-N 1 0 317.455 0.257 10 0 DCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC000408144269 160047738 /nfs/dbraw/zinc/04/77/38/160047738.db2.gz IBVCSCJWKNRBAD-VHSXEESVSA-N 1 0 313.379 0.093 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC000408144267 160047776 /nfs/dbraw/zinc/04/77/76/160047776.db2.gz IBVCSCJWKNRBAD-NXEZZACHSA-N 1 0 313.379 0.093 10 0 DCAERO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCO1 ZINC000408144261 160047818 /nfs/dbraw/zinc/04/78/18/160047818.db2.gz HYRRQTPYBXVIPI-HUUCEWRRSA-N 1 0 323.437 0.568 10 0 DCAERO CN(C)C(=O)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408165523 160050939 /nfs/dbraw/zinc/05/09/39/160050939.db2.gz RYLFZVGCDAUSMM-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1C ZINC000408169331 160051725 /nfs/dbraw/zinc/05/17/25/160051725.db2.gz NHIIIJXAZMOMAO-TXEJJXNPSA-N 1 0 308.430 0.106 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408188398 160055919 /nfs/dbraw/zinc/05/59/19/160055919.db2.gz FXBZPKTZZPKJMR-QWHCGFSZSA-N 1 0 324.425 0.555 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CC[S@](=O)[C@@H](C)C2)CC1 ZINC000408210305 160060822 /nfs/dbraw/zinc/06/08/22/160060822.db2.gz GQSSBYJGSBZQCL-ZSEKCTLFSA-N 1 0 315.483 0.428 10 0 DCAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccco2)C1 ZINC000408233746 160065405 /nfs/dbraw/zinc/06/54/05/160065405.db2.gz XHLJQYWCLWVWNK-QWHCGFSZSA-N 1 0 305.378 0.952 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000408290439 160077337 /nfs/dbraw/zinc/07/73/37/160077337.db2.gz PGQGYDOTYVWMDG-DUVNUKRYSA-N 1 0 311.426 0.206 10 0 DCAERO CCS(=O)(=O)NCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079432031 286924771 /nfs/dbraw/zinc/92/47/71/286924771.db2.gz VKZHGXGNIBVMFQ-GFCCVEGCSA-N 1 0 322.475 0.201 10 0 DCAERO CCCNC(=O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000126489673 286972040 /nfs/dbraw/zinc/97/20/40/286972040.db2.gz QPOCXBSJDXOCIM-UHFFFAOYSA-N 1 0 307.394 0.883 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000131126563 286998490 /nfs/dbraw/zinc/99/84/90/286998490.db2.gz VVDSGKMVUOVCJR-OAHLLOKOSA-N 1 0 315.483 0.686 10 0 DCAERO COC[C@@H](O)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000152301272 287040675 /nfs/dbraw/zinc/04/06/75/287040675.db2.gz PIAWLQFQDLRBEN-RUXDESIVSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1ccccn1 ZINC000172981668 287052062 /nfs/dbraw/zinc/05/20/62/287052062.db2.gz 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416035084 /nfs/dbraw/zinc/03/50/84/416035084.db2.gz SFRWHXPXJFWBKR-LLVKDONJSA-N 1 0 300.403 0.857 10 0 DCAERO C[C@@H]1CN(C2CC[NH+](CCCC(=O)NC(N)=O)CC2)CCO1 ZINC000170928332 416036289 /nfs/dbraw/zinc/03/62/89/416036289.db2.gz XLYZFHCUBNUUHJ-GFCCVEGCSA-N 1 0 312.414 0.147 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)NCCCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000174768605 416086008 /nfs/dbraw/zinc/08/60/08/416086008.db2.gz XHBZEMONMMXBOT-CHWSQXEVSA-N 1 0 324.425 0.650 10 0 DCAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncnc2nc[nH]c21 ZINC000301694376 416088182 /nfs/dbraw/zinc/08/81/82/416088182.db2.gz AHZBFCOTVWSZPP-NEPJUHHUSA-N 1 0 302.382 0.778 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNc1ccc(C(N)=O)cc1 ZINC000174849640 416089140 /nfs/dbraw/zinc/08/91/40/416089140.db2.gz WYWQRURRDQVBRK-SWLSCSKDSA-N 1 0 316.405 0.893 10 0 DCAERO O=c1[nH]ncc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1Cl ZINC000301720531 416090728 /nfs/dbraw/zinc/09/07/28/416090728.db2.gz MITUTLGRKZXYKA-QWRGUYRKSA-N 1 0 312.801 0.849 10 0 DCAERO 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/nfs/dbraw/zinc/27/41/36/416274136.db2.gz ZBXUKGIUSUBXSH-LBPRGKRZSA-N 1 0 323.368 0.598 10 0 DCAERO CC(C)OCCN1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000190204635 416276468 /nfs/dbraw/zinc/27/64/68/416276468.db2.gz DAKNXQXCQQVXEP-KBPBESRZSA-N 1 0 320.455 0.536 10 0 DCAERO C[N@H+]1C[C@H]2CN(C(=O)c3cc(S(C)(=O)=O)cs3)C[C@H]2C1 ZINC000192477878 416306163 /nfs/dbraw/zinc/30/61/63/416306163.db2.gz FJJRNUMSPXBQPS-AOOOYVTPSA-N 1 0 314.432 0.785 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cn1 ZINC000193285723 416314385 /nfs/dbraw/zinc/31/43/85/416314385.db2.gz DNIIYCRQLLFBBN-LBPRGKRZSA-N 1 0 324.356 0.386 10 0 DCAERO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000248392910 416333406 /nfs/dbraw/zinc/33/34/06/416333406.db2.gz DOQNODPCMMVGEI-HIFRSBDPSA-N 1 0 318.421 0.886 10 0 DCAERO Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])sc1S(N)(=O)=O ZINC000261564495 416335471 /nfs/dbraw/zinc/33/54/71/416335471.db2.gz CUGPEABMWHGERT-CBAPKCEASA-N 1 0 304.441 0.663 10 0 DCAERO O=C(N1CC[C@H](N2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262350333 416336748 /nfs/dbraw/zinc/33/67/48/416336748.db2.gz IWIMGZODBGTRDX-YQQAZPJKSA-N 1 0 307.438 0.699 10 0 DCAERO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000194933731 416324970 /nfs/dbraw/zinc/32/49/70/416324970.db2.gz WSTRDRKJAVEODE-CVEARBPZSA-N 1 0 300.443 0.961 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000237765122 416328735 /nfs/dbraw/zinc/32/87/35/416328735.db2.gz KDHDOZKSPDCYNP-UHFFFAOYSA-N 1 0 302.783 0.546 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000237934686 416329131 /nfs/dbraw/zinc/32/91/31/416329131.db2.gz NYPLMYZDSPTYTF-WCQYABFASA-N 1 0 311.407 0.581 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000237997296 416329471 /nfs/dbraw/zinc/32/94/71/416329471.db2.gz NYPLMYZDSPTYTF-YPMHNXCESA-N 1 0 311.407 0.581 10 0 DCAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000359922791 416366195 /nfs/dbraw/zinc/36/61/95/416366195.db2.gz INXOQPXXDBVPGN-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)n1 ZINC000360092617 416369809 /nfs/dbraw/zinc/36/98/09/416369809.db2.gz KMHJEAKONLWOKH-LLVKDONJSA-N 1 0 301.350 0.724 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CN2CSCC2=O)C1 ZINC000583619787 416480372 /nfs/dbraw/zinc/48/03/72/416480372.db2.gz HCCZSGFTNDYQBM-HTQZYQBOSA-N 1 0 311.329 0.400 10 0 DCAERO CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)CCC[NH+](C)C)C1 ZINC000539419542 416580652 /nfs/dbraw/zinc/58/06/52/416580652.db2.gz UBRKKSFIYGNSPH-ZDUSSCGKSA-N 1 0 319.471 0.458 10 0 DCAERO CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000366487906 416629674 /nfs/dbraw/zinc/62/96/74/416629674.db2.gz ZPXVRAJLHNZZHL-CJNGLKHVSA-N 1 0 311.426 0.601 10 0 DCAERO CNc1ncc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000367043967 416641048 /nfs/dbraw/zinc/64/10/48/416641048.db2.gz CKCARVJQMCEYJL-GFCCVEGCSA-N 1 0 323.466 1.037 10 0 DCAERO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCCO)CC1 ZINC000440939981 416653277 /nfs/dbraw/zinc/65/32/77/416653277.db2.gz NBVTXISCKCSXFK-LBPRGKRZSA-N 1 0 300.399 0.491 10 0 DCAERO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)C(C)C)C1 ZINC000367910067 416655386 /nfs/dbraw/zinc/65/53/86/416655386.db2.gz HRVVQTHPWAQTJQ-KGLIPLIRSA-N 1 0 322.471 0.376 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000442626614 416699860 /nfs/dbraw/zinc/69/98/60/416699860.db2.gz QOTBGJFSPJRNPV-KGLIPLIRSA-N 1 0 312.458 0.615 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1[NH+](C)C ZINC000516598031 416729203 /nfs/dbraw/zinc/72/92/03/416729203.db2.gz PVWQFMZJBDJHPW-RZFFKMDDSA-N 1 0 323.437 0.469 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCSc1ccccc1 ZINC000631909908 416794764 /nfs/dbraw/zinc/79/47/64/416794764.db2.gz SIFVQCJVSVYNLZ-GFCCVEGCSA-N 1 0 316.448 0.687 10 0 DCAERO CC(=O)N1CC[C@@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000369991284 416863150 /nfs/dbraw/zinc/86/31/50/416863150.db2.gz PBBUWVAIGXEZCV-MRXNPFEDSA-N 1 0 311.426 0.474 10 0 DCAERO c1nn2c(c1C[NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651423 416865732 /nfs/dbraw/zinc/86/57/32/416865732.db2.gz LWHHBJJGYZNKIK-CYBMUJFWSA-N 1 0 324.392 0.636 10 0 DCAERO C[C@H]1C[C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)C1 ZINC000631950319 416826169 /nfs/dbraw/zinc/82/61/69/416826169.db2.gz FRNOTTZRFVSTEC-ZOBORPQBSA-N 1 0 304.456 0.967 10 0 DCAERO Cn1cc(-c2n[nH]cc2C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000444651661 416856370 /nfs/dbraw/zinc/85/63/70/416856370.db2.gz RGWPGRISWVGSHY-UHFFFAOYSA-N 1 0 311.349 0.469 10 0 DCAERO COc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1Cl ZINC000624407572 417032503 /nfs/dbraw/zinc/03/25/03/417032503.db2.gz IMEXVZAYQSVASO-UHFFFAOYSA-N 1 0 322.814 0.992 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616636116 417087844 /nfs/dbraw/zinc/08/78/44/417087844.db2.gz RJQWTNJXPJIOIC-NSHDSACASA-N 1 0 310.402 0.463 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(F)c1 ZINC000381441150 417088043 /nfs/dbraw/zinc/08/80/43/417088043.db2.gz FHJDLBHZSGKTMV-JGVFFNPUSA-N 1 0 303.359 0.798 10 0 DCAERO COc1cccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)c1 ZINC000397023683 417106552 /nfs/dbraw/zinc/10/65/52/417106552.db2.gz SZCCIOBHHUZPDO-UHFFFAOYSA-N 1 0 300.380 0.170 10 0 DCAERO CC[NH+]1CCN(CCC(=O)NCc2nnc3ccccn32)CC1 ZINC000525179246 417128436 /nfs/dbraw/zinc/12/84/36/417128436.db2.gz DAAWCPRRKVNSBP-UHFFFAOYSA-N 1 0 316.409 0.373 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408449528 417161328 /nfs/dbraw/zinc/16/13/28/417161328.db2.gz CYIQTASLABWWMV-BZPMIXESSA-N 1 0 309.410 0.352 10 0 DCAERO CC(C)(C)[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC000408199780 417145832 /nfs/dbraw/zinc/14/58/32/417145832.db2.gz WQGOJXCMFFTAGY-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408180516 417147401 /nfs/dbraw/zinc/14/74/01/417147401.db2.gz RQRLQNMFJIIWEL-KBPBESRZSA-N 1 0 311.426 0.422 10 0 DCAERO Cc1nn(C)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000450973872 417288146 /nfs/dbraw/zinc/28/81/46/417288146.db2.gz ZFGKBGREAIJVLK-LBPRGKRZSA-N 1 0 308.426 0.575 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000637964832 417259764 /nfs/dbraw/zinc/25/97/64/417259764.db2.gz MFMDXVUVCLFREM-JYJNAYRXSA-N 1 0 305.422 0.723 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CC12COC2 ZINC000451128090 417301599 /nfs/dbraw/zinc/30/15/99/417301599.db2.gz AVDLZEUMWKDGIV-ONGXEEELSA-N 1 0 311.300 0.811 10 0 DCAERO CCOCC[C@H](O)C[N@@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451130290 417301919 /nfs/dbraw/zinc/30/19/19/417301919.db2.gz DPNJHIFYRPERKP-STQMWFEESA-N 1 0 301.383 0.285 10 0 DCAERO Cc1nc(NC[C@@H](O)C(F)F)cc(NC[C@@H](O)C(F)F)[nH+]1 ZINC000572082509 417454447 /nfs/dbraw/zinc/45/44/47/417454447.db2.gz LZJPDENEKZFAMF-RNFRBKRXSA-N 1 0 312.267 0.861 10 0 DCAERO Cc1cnccc1CC[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000645929908 417822450 /nfs/dbraw/zinc/82/24/50/417822450.db2.gz RWRGQKXKTPHTSR-ZDUSSCGKSA-N 1 0 300.366 0.570 10 0 DCAERO Cn1cc([C@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2C(N)=O)cn1 ZINC000299746769 229388809 /nfs/dbraw/zinc/38/88/09/229388809.db2.gz ZRCLCVGKIAWABP-MNOVXSKESA-N 1 0 320.315 0.500 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(c3ccncc3C(N)=O)CC2)CCO1 ZINC000302020180 230040674 /nfs/dbraw/zinc/04/06/74/230040674.db2.gz HMXQJHCYXVMRTJ-LBPRGKRZSA-N 1 0 304.394 0.870 10 0 DCAERO [NH3+]CC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000032199851 261105490 /nfs/dbraw/zinc/10/54/90/261105490.db2.gz WMIIXARFUNXBKT-UHFFFAOYSA-N 1 0 304.799 0.814 10 0 DCAERO Cc1nc(C(=O)NCCN2CCOCC2(C)C)c(=O)[nH]c1C ZINC000179195119 261111958 /nfs/dbraw/zinc/11/19/58/261111958.db2.gz CWEKIFFQOANJIJ-UHFFFAOYSA-N 1 0 308.382 0.227 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000183940315 261117238 /nfs/dbraw/zinc/11/72/38/261117238.db2.gz GGDMLGNEWXOEAN-ZDUSSCGKSA-N 1 0 310.394 0.377 10 0 DCAERO 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302598579 /nfs/dbraw/zinc/59/85/79/302598579.db2.gz CUGPEABMWHGERT-VXNVDRBHSA-N 1 0 304.441 0.663 10 0 DCAERO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000190834970 337395595 /nfs/dbraw/zinc/39/55/95/337395595.db2.gz KMEWBIDJMMWORY-KGLIPLIRSA-N 1 0 322.471 0.641 10 0 DCAERO C[C@@H]1CN(Cc2nccn2CC(F)(F)F)CC[N@@H+]1CCO ZINC000187708370 534475403 /nfs/dbraw/zinc/47/54/03/534475403.db2.gz JBVUCALAARNXOG-LLVKDONJSA-N 1 0 306.332 0.944 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000156618689 521667744 /nfs/dbraw/zinc/66/77/44/521667744.db2.gz JYOFAUHZLXOZST-AWEZNQCLSA-N 1 0 320.441 0.468 10 0 DCAERO CCc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)n(C)n1 ZINC000262142430 523815189 /nfs/dbraw/zinc/81/51/89/523815189.db2.gz HHBUBFMFXUGLGW-OLZOCXBDSA-N 1 0 302.382 0.658 10 0 DCAERO COCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158177768 523902870 /nfs/dbraw/zinc/90/28/70/523902870.db2.gz JWECLYHZBFKEDJ-YIONKMFJSA-N 1 0 310.442 0.585 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnn2c1CCCC2 ZINC000127378852 524620769 /nfs/dbraw/zinc/62/07/69/524620769.db2.gz VXDPONWQOQLAEB-ZDUSSCGKSA-N 1 0 305.426 0.585 10 0 DCAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O)C1CC1 ZINC000328630528 526493135 /nfs/dbraw/zinc/49/31/35/526493135.db2.gz JLIBRMMRMFSUDB-AWEZNQCLSA-N 1 0 322.409 0.608 10 0 DCAERO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000238056178 526657804 /nfs/dbraw/zinc/65/78/04/526657804.db2.gz OPJIRIMVSBRWRB-INIZCTEOSA-N 1 0 303.406 0.887 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000285736892 536469371 /nfs/dbraw/zinc/46/93/71/536469371.db2.gz KUFZXKNWFAZFPK-GJZGRUSLSA-N 1 0 314.389 0.808 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000237995261 527369712 /nfs/dbraw/zinc/36/97/12/527369712.db2.gz UNZVDUIVAVFRMM-NWDGAFQWSA-N 1 0 311.407 0.209 10 0 DCAERO Cn1ccnc1CC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000105903612 527427283 /nfs/dbraw/zinc/42/72/83/527427283.db2.gz WDDCMACATUXSOL-MRXNPFEDSA-N 1 0 322.453 0.368 10 0 DCAERO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000262517988 528162595 /nfs/dbraw/zinc/16/25/95/528162595.db2.gz CZTVUHWGPMSAET-LBPRGKRZSA-N 1 0 313.398 0.032 10 0 DCAERO CCOCCOCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186894597 528789171 /nfs/dbraw/zinc/78/91/71/528789171.db2.gz RDHGGGUDWHLSBB-ZDUSSCGKSA-N 1 0 302.415 0.343 10 0 DCAERO CCn1cnc2c1ncnc2N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284623325 536132776 /nfs/dbraw/zinc/13/27/76/536132776.db2.gz UBDNTWCGXIEMLX-NWDGAFQWSA-N 1 0 302.382 0.756 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000285736899 536479809 /nfs/dbraw/zinc/47/98/09/536479809.db2.gz KUFZXKNWFAZFPK-LSDHHAIUSA-N 1 0 314.389 0.808 10 0 DCAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000079513525 545686505 /nfs/dbraw/zinc/68/65/05/545686505.db2.gz RTRIIXRWHIPJMO-IINYFYTJSA-N 1 0 311.407 0.653 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1 ZINC000088139395 545709613 /nfs/dbraw/zinc/70/96/13/545709613.db2.gz YEAVKEWZBMGPJQ-UHFFFAOYSA-N 1 0 311.407 0.419 10 0 DCAERO CC(C)(C[NH2+]C[C@H](O)COCc1ccco1)S(C)(=O)=O ZINC000093519620 545725640 /nfs/dbraw/zinc/72/56/40/545725640.db2.gz UTMOFRBCVKMIJF-NSHDSACASA-N 1 0 305.396 0.570 10 0 DCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000136403552 545806883 /nfs/dbraw/zinc/80/68/83/545806883.db2.gz AVDGIAFLDAOXOZ-STQMWFEESA-N 1 0 319.471 0.680 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cccc(COC)c1)C(C)C ZINC000183658787 545908769 /nfs/dbraw/zinc/90/87/69/545908769.db2.gz XUMKSGDXXPJUMW-MRXNPFEDSA-N 1 0 321.421 0.809 10 0 DCAERO CN1CC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)CC1=O ZINC000190128982 545923286 /nfs/dbraw/zinc/92/32/86/545923286.db2.gz VOVFPVSHKRXVCT-CYBMUJFWSA-N 1 0 319.405 0.978 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000215988136 545938822 /nfs/dbraw/zinc/93/88/22/545938822.db2.gz IQCBEHAVYZBRQX-WDEREUQCSA-N 1 0 311.407 0.404 10 0 DCAERO 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/nfs/dbraw/zinc/74/93/09/548749309.db2.gz VPBXKPWQJYDDDT-MFKMUULPSA-N 1 0 319.427 0.359 10 0 DCAERO C[C@H]1C[N@H+](C)CCN1Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000089939285 658398393 /nfs/dbraw/zinc/39/83/93/658398393.db2.gz NZTLFUVYQJODQQ-NSHDSACASA-N 1 0 301.412 0.666 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000888095194 661165619 /nfs/dbraw/zinc/16/56/19/661165619.db2.gz RPAXPQMJVWJMFT-GKLJAUDBSA-N 1 0 319.405 0.997 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356309791 665434215 /nfs/dbraw/zinc/43/42/15/665434215.db2.gz HCPPUBNVAOVVKY-UKRRQHHQSA-N 1 0 311.451 0.852 10 0 DCAERO C[C@]1(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCCC[NH2+]1 ZINC000180961920 665466614 /nfs/dbraw/zinc/46/66/14/665466614.db2.gz WYYRKHHMMIIHBX-CYBMUJFWSA-N 1 0 314.411 0.398 10 0 DCAERO C[C@](O)(C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000724057039 657929259 /nfs/dbraw/zinc/92/92/59/657929259.db2.gz GWVHNQGLRWOIQO-YIZRAAEISA-N 1 0 307.259 0.610 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@H]1C ZINC000185000499 659239283 /nfs/dbraw/zinc/23/92/83/659239283.db2.gz JZOWYYZKEFVRQD-CHWSQXEVSA-N 1 0 309.414 0.059 10 0 DCAERO Cc1cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cnc1Cl ZINC000227804817 665745986 /nfs/dbraw/zinc/74/59/86/665745986.db2.gz CVVREUCGCXPMBS-VIFPVBQESA-N 1 0 305.787 0.744 10 0 DCAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1C(N)=O ZINC000070120718 665752531 /nfs/dbraw/zinc/75/25/31/665752531.db2.gz AGDCSIWJRDMBLB-LLVKDONJSA-N 1 0 311.407 0.514 10 0 DCAERO C[C@H](c1cccnc1)N1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261657154 661354453 /nfs/dbraw/zinc/35/44/53/661354453.db2.gz AVZRSVZQKRVSAB-CQSZACIVSA-N 1 0 318.421 0.795 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000261672011 661382814 /nfs/dbraw/zinc/38/28/14/661382814.db2.gz GVMMDXVPVRRKFW-GFCCVEGCSA-N 1 0 313.423 0.388 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)O1 ZINC000248863151 661534443 /nfs/dbraw/zinc/53/44/43/661534443.db2.gz AMKDWKPCAPAZNS-RQJABVFESA-N 1 0 310.394 0.650 10 0 DCAERO O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000261923102 661836311 /nfs/dbraw/zinc/83/63/11/661836311.db2.gz RUNLBDGZVDGHJC-HNNXBMFYSA-N 1 0 324.375 0.883 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361708475 665803029 /nfs/dbraw/zinc/80/30/29/665803029.db2.gz ZJYPKVALMOKBGH-MELADBBJSA-N 1 0 311.451 0.851 10 0 DCAERO C[N@H+](CCNC(=O)C1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000261951305 661920633 /nfs/dbraw/zinc/92/06/33/661920633.db2.gz ZARFCFGWQCMYTM-UHFFFAOYSA-N 1 0 309.385 0.882 10 0 DCAERO CN(CC(=O)N(C)Cc1cccs1)CC(=O)N1CC[NH2+]CC1 ZINC000261971989 661937120 /nfs/dbraw/zinc/93/71/20/661937120.db2.gz QGHOEZFHQVPIGG-UHFFFAOYSA-N 1 0 324.450 0.070 10 0 DCAERO C#CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204284 662133152 /nfs/dbraw/zinc/13/31/52/662133152.db2.gz CPMHUOOSMOAEHV-CQSZACIVSA-N 1 0 314.389 0.790 10 0 DCAERO CCS(=O)(=O)CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000727937419 662320519 /nfs/dbraw/zinc/32/05/19/662320519.db2.gz QQPNCTZRVCGGOQ-UHFFFAOYSA-N 1 0 317.415 0.001 10 0 DCAERO O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000040861305 663050919 /nfs/dbraw/zinc/05/09/19/663050919.db2.gz SXPSTMNDQZQLJJ-UWVGGRQHSA-N 1 0 315.361 0.847 10 0 DCAERO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C[C@H]1c1cn[nH]n1 ZINC000911355735 664035721 /nfs/dbraw/zinc/03/57/21/664035721.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 0 319.409 0.762 10 0 DCAERO O=C(CCCC(=O)N1CCOCC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222572725 664382649 /nfs/dbraw/zinc/38/26/49/664382649.db2.gz VLGSJJYMODJICU-CQSZACIVSA-N 1 0 309.410 0.226 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(N)nc3)CC[C@H]21 ZINC000227347746 664533397 /nfs/dbraw/zinc/53/33/97/664533397.db2.gz UYVIVBJXTINHQV-ZYHUDNBSSA-N 1 0 311.411 0.164 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000173917312 664633737 /nfs/dbraw/zinc/63/37/37/664633737.db2.gz VTCHQCKAYZMTIW-NSHDSACASA-N 1 0 305.444 0.545 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000312336254 664693064 /nfs/dbraw/zinc/69/30/64/664693064.db2.gz JYSOSMQENLFMGV-SNVBAGLBSA-N 1 0 300.380 0.501 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(CN3CCCC3=O)CC2)nc1 ZINC000152694911 664769815 /nfs/dbraw/zinc/76/98/15/664769815.db2.gz NARHENGXSJYVKH-UHFFFAOYSA-N 1 0 317.437 0.845 10 0 DCAERO C[NH+](C)CCNC(=S)N[C@H]1CCN(c2ccccc2)C1=O ZINC000731569237 664871614 /nfs/dbraw/zinc/87/16/14/664871614.db2.gz IFWFXYZRRCCXFB-ZDUSSCGKSA-N 1 0 306.435 0.818 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000170859320 665391643 /nfs/dbraw/zinc/39/16/43/665391643.db2.gz LSAHEUGILYPAJA-GHMZBOCLSA-N 1 0 306.453 0.069 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358908360 666253038 /nfs/dbraw/zinc/25/30/38/666253038.db2.gz ZCQATBLNMPYTBG-ZDUSSCGKSA-N 1 0 311.451 0.900 10 0 DCAERO CCOC(=O)[C@@]1(C)CC(=O)N(CN2CC[NH+](C3CC3)CC2)C1 ZINC000184867638 666297948 /nfs/dbraw/zinc/29/79/48/666297948.db2.gz BFUMNAWDDBJTMI-INIZCTEOSA-N 1 0 309.410 0.526 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Br)cnc1F ZINC000700865203 666774916 /nfs/dbraw/zinc/77/49/16/666774916.db2.gz TWMAMOOULYLYAS-MUWHJKNJSA-N 1 0 318.146 0.293 10 0 DCAERO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702843252 667010108 /nfs/dbraw/zinc/01/01/08/667010108.db2.gz CRQDMYUQINJTEA-PWSUYJOCSA-N 1 0 311.386 0.133 10 0 DCAERO CCS(=O)(=O)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119403887 667133285 /nfs/dbraw/zinc/13/32/85/667133285.db2.gz NDBFBFWSEPGPPF-UHFFFAOYSA-N 1 0 319.471 0.841 10 0 DCAERO Cn1cnc([C@@H]2CN(Cc3cn(C(C)(C)C)nn3)C[C@H]2[NH3+])c1 ZINC000864298067 667235371 /nfs/dbraw/zinc/23/53/71/667235371.db2.gz LLTQKXDTSUZFTF-CHWSQXEVSA-N 1 0 303.414 0.693 10 0 DCAERO [NH3+][C@@H]1CCCCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000709031824 667443886 /nfs/dbraw/zinc/44/38/86/667443886.db2.gz DPWKMJOFRKYDGI-VXGBXAGGSA-N 1 0 320.480 0.637 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCCCC2)C[C@H]1C(F)(F)F ZINC000709815461 667445791 /nfs/dbraw/zinc/44/57/91/667445791.db2.gz GMEUMXUYQIXLNO-NXEZZACHSA-N 1 0 315.361 0.786 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711906082 667550896 /nfs/dbraw/zinc/55/08/96/667550896.db2.gz GGCNNXAUCRGHJM-MELADBBJSA-N 1 0 302.440 0.815 10 0 DCAERO CC[S@](=O)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000741076064 667757962 /nfs/dbraw/zinc/75/79/62/667757962.db2.gz AQKJBJSMMXKRNS-NRFANRHFSA-N 1 0 318.487 0.080 10 0 DCAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2(CO)COC2)C1 ZINC000717575498 667869289 /nfs/dbraw/zinc/86/92/89/667869289.db2.gz SZVAXQHFXZMEMA-TXEJJXNPSA-N 1 0 300.399 0.888 10 0 DCAERO CC1(C)CO[C@@H](CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000717277014 669792531 /nfs/dbraw/zinc/79/25/31/669792531.db2.gz HBTMGYIEQHSXOQ-NWDGAFQWSA-N 1 0 306.428 0.099 10 0 DCAERO C[C@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000187716528 669949555 /nfs/dbraw/zinc/94/95/55/669949555.db2.gz FLOPQRMWGLQZCF-NHYWBVRUSA-N 1 0 300.349 0.997 10 0 DCAERO C[NH2+]CCOCCN(C)Cc1cn(C)nc1Br ZINC000712445937 670149091 /nfs/dbraw/zinc/14/90/91/670149091.db2.gz SJEXBJSIWMIRRK-UHFFFAOYSA-N 1 0 305.220 0.850 10 0 DCAERO C[C@@H](CN1CCOCC1)[NH2+]Cc1cn(C)nc1Br ZINC000712469877 670149354 /nfs/dbraw/zinc/14/93/54/670149354.db2.gz KOEQIDHZJZCIQS-JTQLQIEISA-N 1 0 317.231 0.993 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000712685757 670149779 /nfs/dbraw/zinc/14/97/79/670149779.db2.gz BHGYHUXHUDKVSJ-QWHCGFSZSA-N 1 0 303.424 0.739 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000713318504 670155630 /nfs/dbraw/zinc/15/56/30/670155630.db2.gz MHNHALPFXKYICF-UHFFFAOYSA-N 1 0 320.724 0.585 10 0 DCAERO [NH3+]C[C@]1(CO)COCCN1Cc1ncc(Br)s1 ZINC000713711604 670165939 /nfs/dbraw/zinc/16/59/39/670165939.db2.gz PQWMCZSUMVJVIL-JTQLQIEISA-N 1 0 322.228 0.428 10 0 DCAERO Cc1cc(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)on1 ZINC000859754162 671142747 /nfs/dbraw/zinc/14/27/47/671142747.db2.gz QUHARYIRDRJGGN-NEPJUHHUSA-N 1 0 319.369 0.000 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CN3CCCC3=O)CC2)C1 ZINC000117325453 671193074 /nfs/dbraw/zinc/19/30/74/671193074.db2.gz ZYDXCGKSOZHXEC-INIZCTEOSA-N 1 0 324.469 0.293 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000718990745 685306008 /nfs/dbraw/zinc/30/60/08/685306008.db2.gz XIXVVUNSMVMUKZ-GFCCVEGCSA-N 1 0 318.439 0.353 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000719001754 685306328 /nfs/dbraw/zinc/30/63/28/685306328.db2.gz QUUSNKYWDXOGCA-OLZOCXBDSA-N 1 0 318.439 0.353 10 0 DCAERO O=S(=O)(CCC1CC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720171064 685312350 /nfs/dbraw/zinc/31/23/50/685312350.db2.gz ZUBGUSRYTCIYOD-CYBMUJFWSA-N 1 0 302.440 0.865 10 0 DCAERO Cn1cc(CNC[C@H](O)C[NH+]2CCCC2)c(Br)n1 ZINC000720681572 685314659 /nfs/dbraw/zinc/31/46/59/685314659.db2.gz NKIMOBHZCGFUKC-NSHDSACASA-N 1 0 317.231 0.729 10 0 DCAERO CO[C@@]1(C[NH2+][C@@H](C)c2cn(C)nc2C)CCS(=O)(=O)C1 ZINC000721229637 685317969 /nfs/dbraw/zinc/31/79/69/685317969.db2.gz NEUZWBHDQNXHBQ-GXFFZTMASA-N 1 0 301.412 0.583 10 0 DCAERO C[C@@](O)(C[NH+]1CCC(O)(CO)CC1)C(F)(F)C(F)(F)F ZINC000724056973 685320092 /nfs/dbraw/zinc/32/00/92/685320092.db2.gz GBDJFHRKKJTPMW-MRVPVSSYSA-N 1 0 307.259 0.754 10 0 DCAERO c1nnc2ccc(N3CC[NH+](CCC4OCCO4)CC3)nn12 ZINC000124169492 685118700 /nfs/dbraw/zinc/11/87/00/685118700.db2.gz OQOJMPVYTZFUKF-UHFFFAOYSA-N 1 0 304.354 0.009 10 0 DCAERO CC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000245858908 685159455 /nfs/dbraw/zinc/15/94/55/685159455.db2.gz HEGMOUGBWSIYFS-LSDHHAIUSA-N 1 0 323.437 0.773 10 0 DCAERO Nc1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252555676 685186215 /nfs/dbraw/zinc/18/62/15/685186215.db2.gz SMBWRWKEBHLVBA-RYUDHWBXSA-N 1 0 311.407 0.410 10 0 DCAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000380817736 685237507 /nfs/dbraw/zinc/23/75/07/685237507.db2.gz DYRAGDROTJWZKE-KOLCDFICSA-N 1 0 303.384 0.260 10 0 DCAERO O=C(Cn1cc(C2CC2)nn1)NCCCC[NH+]1CCOCC1 ZINC000124523653 1177135280 /nfs/dbraw/zinc/13/52/80/1177135280.db2.gz TWYXGPVAAHASAN-UHFFFAOYSA-N 1 0 307.398 0.384 10 0 DCAERO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ccc(C)nc2)CC1 ZINC000155847087 1180555860 /nfs/dbraw/zinc/55/58/60/1180555860.db2.gz CQJKXVDIPIBJNP-UHFFFAOYSA-N 1 0 304.394 0.560 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000233808773 1180562219 /nfs/dbraw/zinc/56/22/19/1180562219.db2.gz QRJARMXSWQWPFP-AVGNSLFASA-N 1 0 302.440 0.848 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000262373427 1185166895 /nfs/dbraw/zinc/16/68/95/1185166895.db2.gz LZVVHZVDCJVSKX-AAEUAGOBSA-N 1 0 300.362 0.511 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)CC[N@@H+]1C ZINC000188226010 1187607334 /nfs/dbraw/zinc/60/73/34/1187607334.db2.gz ULCUDYGIVZWDSE-GHMZBOCLSA-N 1 0 315.377 0.873 10 0 DCAERO 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ZINC000105873238 194153501 /nfs/dbraw/zinc/15/35/01/194153501.db2.gz SGOQJZAVHVNJFW-NEPJUHHUSA-N 1 0 309.414 0.286 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NCc2ccccc2F)CCO1 ZINC000105927375 194173230 /nfs/dbraw/zinc/17/32/30/194173230.db2.gz JFESETIMPAYYLF-CQSZACIVSA-N 1 0 309.385 0.704 10 0 DCAERO Cn1nc(CC(=O)NCC(C)(C)[NH+](C)C)c2ccccc2c1=O ZINC000065609304 184372790 /nfs/dbraw/zinc/37/27/90/184372790.db2.gz RRUODNVWLVRFHQ-UHFFFAOYSA-N 1 0 316.405 0.932 10 0 DCAERO Cc1csc(CN2CCO[C@@H](CCNC(=O)C3C[NH2+]C3)C2)n1 ZINC000067649843 184476326 /nfs/dbraw/zinc/47/63/26/184476326.db2.gz SAXQGBYJJDTMFL-ZDUSSCGKSA-N 1 0 324.450 0.378 10 0 DCAERO COC[C@](C)(CCO)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085902960 252587856 /nfs/dbraw/zinc/58/78/56/252587856.db2.gz FMMPZITZQUBMOE-STQMWFEESA-N 1 0 308.444 0.035 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333649754 252748022 /nfs/dbraw/zinc/74/80/22/252748022.db2.gz JPEHRTDBLCEYEH-RDBSUJKOSA-N 1 0 324.425 0.160 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000333885228 252772253 /nfs/dbraw/zinc/77/22/53/252772253.db2.gz XAUXMJHBLCPCRQ-VIFPVBQESA-N 1 0 308.304 0.502 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCC(C)CC1 ZINC000329370183 285038641 /nfs/dbraw/zinc/03/86/41/285038641.db2.gz JRGNKYYYMVCSOD-AWEZNQCLSA-N 1 0 319.471 0.664 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1 ZINC000336841300 252801909 /nfs/dbraw/zinc/80/19/09/252801909.db2.gz RJODWZFEVXRBIC-NWDGAFQWSA-N 1 0 300.428 0.742 10 0 DCAERO CC(=O)N1CCC(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000341091670 253341678 /nfs/dbraw/zinc/34/16/78/253341678.db2.gz PEXZGLIYSCSDCW-INIZCTEOSA-N 1 0 320.437 0.901 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000175392092 285240778 /nfs/dbraw/zinc/24/07/78/285240778.db2.gz GIYXSZQOMQZKBJ-MELADBBJSA-N 1 0 319.471 0.757 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)cn1 ZINC000248122803 257107903 /nfs/dbraw/zinc/10/79/03/257107903.db2.gz KOJHIPAVGVOPRT-SNPRPXQTSA-N 1 0 304.394 0.678 10 0 DCAERO Fc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC000503716599 257210152 /nfs/dbraw/zinc/21/01/52/257210152.db2.gz IFZOVFMXGKXOTN-STQMWFEESA-N 1 0 316.340 0.748 10 0 DCAERO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000283966527 131036782 /nfs/dbraw/zinc/03/67/82/131036782.db2.gz GSATWYODYUXCSE-NWANDNLSSA-N 1 0 305.378 0.780 10 0 DCAERO CC(=O)c1ccn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000283961982 131036990 /nfs/dbraw/zinc/03/69/90/131036990.db2.gz YWHSNCVPHQDDNO-CQSZACIVSA-N 1 0 322.409 0.559 10 0 DCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cccc3c2OCCO3)nn1 ZINC000284554495 131091508 /nfs/dbraw/zinc/09/15/08/131091508.db2.gz GTDULIQWBWLBEX-QWHCGFSZSA-N 1 0 302.334 0.779 10 0 DCAERO COCCN(C)c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)cn1 ZINC000284615724 131098237 /nfs/dbraw/zinc/09/82/37/131098237.db2.gz RHCNQDVOGYITKM-LSDHHAIUSA-N 1 0 309.410 0.746 10 0 DCAERO 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/nfs/dbraw/zinc/18/40/90/396184090.db2.gz XIHHEDIYEIKLJD-ZDUSSCGKSA-N 1 0 302.378 0.925 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)NCCc1csc(N2CCCC2)n1 ZINC000262869088 396188377 /nfs/dbraw/zinc/18/83/77/396188377.db2.gz MDKAQEXZGMACKU-LBPRGKRZSA-N 1 0 312.439 0.766 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000262911880 396191497 /nfs/dbraw/zinc/19/14/97/396191497.db2.gz YNIXSHYPQUXJHA-AAEUAGOBSA-N 1 0 302.440 0.848 10 0 DCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000262958662 396194766 /nfs/dbraw/zinc/19/47/66/396194766.db2.gz WHYJXYRVKZWEIL-AAEUAGOBSA-N 1 0 303.366 0.808 10 0 DCAERO O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000263288688 396212205 /nfs/dbraw/zinc/21/22/05/396212205.db2.gz LBZXXOCCWAPDAG-NSHDSACASA-N 1 0 318.295 0.781 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263066519 396199754 /nfs/dbraw/zinc/19/97/54/396199754.db2.gz WAHZDDVDGJLHTP-WMLDXEAASA-N 1 0 324.469 0.517 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000263110263 396201818 /nfs/dbraw/zinc/20/18/18/396201818.db2.gz AFAYTUIIWAVJIJ-NEPJUHHUSA-N 1 0 303.353 0.164 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000263110265 396201881 /nfs/dbraw/zinc/20/18/81/396201881.db2.gz AFAYTUIIWAVJIJ-RYUDHWBXSA-N 1 0 303.353 0.164 10 0 DCAERO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263153333 396203606 /nfs/dbraw/zinc/20/36/06/396203606.db2.gz DFPBAQOANXILAU-GHMZBOCLSA-N 1 0 302.321 0.967 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnc3ccccn3c2=O)n1 ZINC000263167116 396204225 /nfs/dbraw/zinc/20/42/25/396204225.db2.gz FHBLLKQZRHQUQU-NSHDSACASA-N 1 0 312.333 0.321 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC(C)(C)CO)C[C@@H]1C ZINC000180761083 396234426 /nfs/dbraw/zinc/23/44/26/396234426.db2.gz WHSIQEHQEIWZBY-UONOGXRCSA-N 1 0 315.458 0.882 10 0 DCAERO COC(=O)CCN1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)C1 ZINC000182122039 396246631 /nfs/dbraw/zinc/24/66/31/396246631.db2.gz YBWKLSKCKBSTPY-KBPBESRZSA-N 1 0 316.442 0.732 10 0 DCAERO CCc1nnc2ccc(N3CC[NH+]([C@H](CC)CO)CC3)nn21 ZINC000078523331 396247042 /nfs/dbraw/zinc/24/70/42/396247042.db2.gz JQCIBHBJAKTFFY-GFCCVEGCSA-N 1 0 304.398 0.580 10 0 DCAERO Cn1cnn(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1=O ZINC000183104534 396261341 /nfs/dbraw/zinc/26/13/41/396261341.db2.gz WZSKDFYNJNZJOQ-UHFFFAOYSA-N 1 0 315.377 0.816 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519795 396266508 /nfs/dbraw/zinc/26/65/08/396266508.db2.gz PVZJUNKEIJAIRG-ZDUSSCGKSA-N 1 0 303.428 0.059 10 0 DCAERO CCN(CC1CC1)S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000183914540 396277456 /nfs/dbraw/zinc/27/74/56/396277456.db2.gz IHOTWHQLDRMDDO-AWEZNQCLSA-N 1 0 319.471 0.400 10 0 DCAERO CC(C)C[C@H](NC(=O)C1C[NH2+]C1)c1nc(-c2nc[nH]n2)no1 ZINC000263313811 396213797 /nfs/dbraw/zinc/21/37/97/396213797.db2.gz PSTQLOSIBIXTGX-VIFPVBQESA-N 1 0 305.342 0.278 10 0 DCAERO Cc1ccc([C@@H](C[NH2+][C@H]2CCNC2=O)N2CCOCC2)s1 ZINC000179068931 396220497 /nfs/dbraw/zinc/22/04/97/396220497.db2.gz LIYXHGKIJLAXDA-QWHCGFSZSA-N 1 0 309.435 0.908 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000263688408 396223393 /nfs/dbraw/zinc/22/33/93/396223393.db2.gz GCTDOWUEMKRIJA-ZDUSSCGKSA-N 1 0 304.398 0.402 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H](C)CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000185016547 396314473 /nfs/dbraw/zinc/31/44/73/396314473.db2.gz GDALEIDPAMULOW-BFHYXJOUSA-N 1 0 301.431 0.898 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cn(CC3(C)COC3)nn2)[C@@H](C)C1 ZINC000185109571 396317953 /nfs/dbraw/zinc/31/79/53/396317953.db2.gz ULPNVKJVEHPYJU-STQMWFEESA-N 1 0 321.425 0.773 10 0 DCAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000185925659 396336974 /nfs/dbraw/zinc/33/69/74/396336974.db2.gz OYAIXYMPZPEIBA-STQMWFEESA-N 1 0 319.796 0.933 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCCN1CCCC1=O ZINC000186297730 396346944 /nfs/dbraw/zinc/34/69/44/396346944.db2.gz AWGQPWQKZVCGPD-UHFFFAOYSA-N 1 0 308.382 0.699 10 0 DCAERO COCCC1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000186552092 396352736 /nfs/dbraw/zinc/35/27/36/396352736.db2.gz KKCCJIWYWMHOSS-UONOGXRCSA-N 1 0 313.442 0.900 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000186712678 396356305 /nfs/dbraw/zinc/35/63/05/396356305.db2.gz XANAWIZVSWGOJA-VXGBXAGGSA-N 1 0 322.409 0.355 10 0 DCAERO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)CC1(CO)CC1 ZINC000186800045 396358449 /nfs/dbraw/zinc/35/84/49/396358449.db2.gz NWQQJDQYLOKYKK-UHFFFAOYSA-N 1 0 311.407 0.880 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000187241818 396365277 /nfs/dbraw/zinc/36/52/77/396365277.db2.gz MTEPXUHCSPDEIK-UHFFFAOYSA-N 1 0 313.373 0.431 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188744246 396384928 /nfs/dbraw/zinc/38/49/28/396384928.db2.gz STXNYGUVRBREQF-QWHCGFSZSA-N 1 0 322.453 0.741 10 0 DCAERO COCCN1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1=O ZINC000189305354 396393396 /nfs/dbraw/zinc/39/33/96/396393396.db2.gz CWJGLUOQSWHNIX-UHFFFAOYSA-N 1 0 311.426 0.426 10 0 DCAERO O=C(Nc1cccnc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189783821 396399535 /nfs/dbraw/zinc/39/95/35/396399535.db2.gz APTYREIBICGUGG-UHFFFAOYSA-N 1 0 308.769 0.980 10 0 DCAERO C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)C[NH+]1CCCC1 ZINC000190340676 396405327 /nfs/dbraw/zinc/40/53/27/396405327.db2.gz RFEOWTDBBJLDEN-LBPRGKRZSA-N 1 0 308.426 0.638 10 0 DCAERO O=C(Nc1ccc(F)cn1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000193145200 396445077 /nfs/dbraw/zinc/44/50/77/396445077.db2.gz HLIZDXUZQGFMFP-UHFFFAOYSA-N 1 0 306.341 0.856 10 0 DCAERO C[C@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192506451 396432338 /nfs/dbraw/zinc/43/23/38/396432338.db2.gz NNIAYOVSDJEMAY-AEGPPILISA-N 1 0 304.390 0.966 10 0 DCAERO CCNC(=O)CC[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000192857381 396439155 /nfs/dbraw/zinc/43/91/55/396439155.db2.gz KCIDEQNELPZTGW-UHFFFAOYSA-N 1 0 307.398 0.888 10 0 DCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(COc2ccccc2)CC1 ZINC000193218894 396446358 /nfs/dbraw/zinc/44/63/58/396446358.db2.gz CZAAMZRTCOUOLS-OAHLLOKOSA-N 1 0 319.405 0.897 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193404018 396450938 /nfs/dbraw/zinc/45/09/38/396450938.db2.gz UOAYEEHSEKNKAU-WPRPVWTQSA-N 1 0 302.352 0.343 10 0 DCAERO COC[C@@H](O)C[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000580109396 396488089 /nfs/dbraw/zinc/48/80/89/396488089.db2.gz VPTQNKZYZDUCBG-UONOGXRCSA-N 1 0 312.410 0.903 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)CN1C1CC1 ZINC000527752835 396547516 /nfs/dbraw/zinc/54/75/16/396547516.db2.gz IUSIVPWLMLBMAK-RKVPGOIHSA-N 1 0 323.481 0.817 10 0 DCAERO CC(C)[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1nncn1C ZINC000560477909 396616086 /nfs/dbraw/zinc/61/60/86/396616086.db2.gz ONWBMAJMHZWAID-MJBXVCDLSA-N 1 0 312.414 0.658 10 0 DCAERO COC(=O)[C@](C)(O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000588967783 396702143 /nfs/dbraw/zinc/70/21/43/396702143.db2.gz VTLLYHXGCRABKI-SOLBZPMBSA-N 1 0 318.417 0.974 10 0 DCAERO CC(=O)N1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000590343404 396759946 /nfs/dbraw/zinc/75/99/46/396759946.db2.gz GSEKBHLTJBTESI-UHFFFAOYSA-N 1 0 322.413 0.577 10 0 DCAERO Cc1cnc([C@@H](C)NS(=O)(=O)C[C@H]2C[NH2+]CCO2)s1 ZINC000311893623 396761236 /nfs/dbraw/zinc/76/12/36/396761236.db2.gz DOXXJLNZWACICK-NXEZZACHSA-N 1 0 305.425 0.420 10 0 DCAERO CC(=O)N1CCC[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000617768824 396824465 /nfs/dbraw/zinc/82/44/65/396824465.db2.gz VZSCACQATKEXOZ-OAHLLOKOSA-N 1 0 312.458 0.245 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CC1 ZINC000328630618 396826097 /nfs/dbraw/zinc/82/60/97/396826097.db2.gz QAQUORVUZYOMSS-AWEZNQCLSA-N 1 0 305.426 0.957 10 0 DCAERO C/C=C/C[C@H](NC1CCN(S(C)(=O)=O)CC1)C(=O)OCC ZINC000617856374 396842804 /nfs/dbraw/zinc/84/28/04/396842804.db2.gz BKAOCKRKKPVHBH-BPJJOFIESA-N 1 0 318.439 0.898 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)N(C(C)=O)C1 ZINC000329917006 396851791 /nfs/dbraw/zinc/85/17/91/396851791.db2.gz ZDTSHCREAUURMS-REBRKWNGSA-N 1 0 309.410 0.317 10 0 DCAERO Cn1cc(Br)cc1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000375987819 396857712 /nfs/dbraw/zinc/85/77/12/396857712.db2.gz FQFYOHUYOBBOLW-MNOVXSKESA-N 1 0 314.183 0.600 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611668426 396904964 /nfs/dbraw/zinc/90/49/64/396904964.db2.gz IZBKUTLVBMPWOI-KGLIPLIRSA-N 1 0 309.410 0.352 10 0 DCAERO Cn1cc(O[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)cn1 ZINC000625628459 396959229 /nfs/dbraw/zinc/95/92/29/396959229.db2.gz YRTWQGLRUNSXBJ-HZPDHXFCSA-N 1 0 303.362 0.537 10 0 DCAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625735594 396989226 /nfs/dbraw/zinc/98/92/26/396989226.db2.gz GDBVRKYDEQLUGQ-FQUUOJAGSA-N 1 0 311.426 0.741 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630363681 396995058 /nfs/dbraw/zinc/99/50/58/396995058.db2.gz QDPNEFDUNRRZTJ-YPMHNXCESA-N 1 0 302.371 0.953 10 0 DCAERO CC1(C)CN(CCNC(=O)N2CC[C@@H](CC(N)=O)C2)CCO1 ZINC000376775641 396976246 /nfs/dbraw/zinc/97/62/46/396976246.db2.gz DTGOWXSVQFDYSJ-LBPRGKRZSA-N 1 0 312.414 0.004 10 0 DCAERO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000572707059 397084824 /nfs/dbraw/zinc/08/48/24/397084824.db2.gz RNMUEZBKAHUPHP-LBPRGKRZSA-N 1 0 315.377 0.731 10 0 DCAERO c1[nH]nc2c1CC[C@@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)C2 ZINC000631091022 397168032 /nfs/dbraw/zinc/16/80/32/397168032.db2.gz OEVGGKQOYAYGLW-WCQYABFASA-N 1 0 302.382 0.685 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000631269498 397196872 /nfs/dbraw/zinc/19/68/72/397196872.db2.gz JDCCIYKJRQQNHU-CVEARBPZSA-N 1 0 324.469 0.386 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(C(F)(F)F)CC1 ZINC000381860856 397272869 /nfs/dbraw/zinc/27/28/69/397272869.db2.gz PZDGQANIXAEELL-JTQLQIEISA-N 1 0 316.345 0.579 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(F)cc1F ZINC000383776956 397278425 /nfs/dbraw/zinc/27/84/25/397278425.db2.gz QECJQGXINVYOKD-NSHDSACASA-N 1 0 306.334 0.373 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000400178654 397315955 /nfs/dbraw/zinc/31/59/55/397315955.db2.gz OGLIVDBYQQOWCE-KGLIPLIRSA-N 1 0 304.456 0.941 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCOCc1ccccc1 ZINC000390008073 397298116 /nfs/dbraw/zinc/29/81/16/397298116.db2.gz DOMDYHHIFNBEJB-AWEZNQCLSA-N 1 0 314.407 0.111 10 0 DCAERO CCOC(=O)c1nn(C)cc1CNc1cnn(CC[NH+](C)C)c1 ZINC000613741126 397312163 /nfs/dbraw/zinc/31/21/63/397312163.db2.gz XOROOEKCHJMRAN-UHFFFAOYSA-N 1 0 320.397 0.967 10 0 DCAERO C[C@]1(NC(=O)[C@@H]2CNC(=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000405962153 397332132 /nfs/dbraw/zinc/33/21/32/397332132.db2.gz NQJGOFWDNDISKW-YOEHRIQHSA-N 1 0 301.390 0.903 10 0 DCAERO CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614068283 397375385 /nfs/dbraw/zinc/37/53/85/397375385.db2.gz MEMNCIBXZKNGRW-HOCLYGCPSA-N 1 0 311.426 0.303 10 0 DCAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000621388246 397382967 /nfs/dbraw/zinc/38/29/67/397382967.db2.gz UBQDRVJTBDFKGW-LLVKDONJSA-N 1 0 315.370 0.184 10 0 DCAERO CC(=O)c1cn(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)nn1 ZINC000620977867 397326604 /nfs/dbraw/zinc/32/66/04/397326604.db2.gz AFSCFPFHAZUPDB-ZDUSSCGKSA-N 1 0 323.397 0.050 10 0 DCAERO O=C(c1cc(Br)c[nH]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404222435 397328464 /nfs/dbraw/zinc/32/84/64/397328464.db2.gz LQZIZDLJUYVUGE-MNOVXSKESA-N 1 0 314.183 0.980 10 0 DCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602500849 397421172 /nfs/dbraw/zinc/42/11/72/397421172.db2.gz QHNBGNLUDVITGK-HIFRSBDPSA-N 1 0 321.421 0.713 10 0 DCAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)CN1Cc1ccccc1 ZINC000459706523 397435711 /nfs/dbraw/zinc/43/57/11/397435711.db2.gz VYNRBMIOUSQKJH-OIISXLGYSA-N 1 0 315.421 0.892 10 0 DCAERO COC(=O)C1(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000614429957 397437046 /nfs/dbraw/zinc/43/70/46/397437046.db2.gz SZSLHMIQARUTPU-UHFFFAOYSA-N 1 0 309.370 0.519 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)C[C@H]1[NH+](C)C ZINC000578697770 397471919 /nfs/dbraw/zinc/47/19/19/397471919.db2.gz RZPZCLZLRGUJHR-HZSPNIEDSA-N 1 0 323.437 0.613 10 0 DCAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(C3CC3)C(=O)C2)C1(C)C ZINC000261720685 286305692 /nfs/dbraw/zinc/30/56/92/286305692.db2.gz FBEKKJQYFXIWKI-MLGOLLRUSA-N 1 0 309.410 0.352 10 0 DCAERO COCCCS(=O)(=O)NCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245468669 292374277 /nfs/dbraw/zinc/37/42/77/292374277.db2.gz KYQWWDJTBSBFFK-KGLIPLIRSA-N 1 0 319.471 0.111 10 0 DCAERO CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000046280427 158002143 /nfs/dbraw/zinc/00/21/43/158002143.db2.gz UPQYNDXDRHKPPD-CHWSQXEVSA-N 1 0 319.471 0.935 10 0 DCAERO CCOCCOCC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000056981801 158024305 /nfs/dbraw/zinc/02/43/05/158024305.db2.gz OTRLTVSXRDIALA-CQSZACIVSA-N 1 0 301.431 0.182 10 0 DCAERO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000066420226 158036183 /nfs/dbraw/zinc/03/61/83/158036183.db2.gz RZLAYBIXIPHOCM-ZDUSSCGKSA-N 1 0 309.410 0.178 10 0 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WGQSOUMIQSZIRH-INIZCTEOSA-N 1 0 322.405 0.871 10 0 DCAERO CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000118796490 158179523 /nfs/dbraw/zinc/17/95/23/158179523.db2.gz ANOZGDPCSMUGQG-AWEZNQCLSA-N 1 0 320.393 0.841 10 0 DCAERO C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCC(C)CC1 ZINC000118780972 158180289 /nfs/dbraw/zinc/18/02/89/158180289.db2.gz QMWYMFFRMMYVOJ-GFCCVEGCSA-N 1 0 324.425 0.553 10 0 DCAERO CC[NH+](CC)CCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119998487 158192283 /nfs/dbraw/zinc/19/22/83/158192283.db2.gz MZSSJEMGUGXLBZ-AWEZNQCLSA-N 1 0 303.472 0.828 10 0 DCAERO CN1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000120695373 158202071 /nfs/dbraw/zinc/20/20/71/158202071.db2.gz SSMKAUXDZISISG-UHFFFAOYSA-N 1 0 308.470 0.568 10 0 DCAERO CCc1oc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1C ZINC000122176315 158218581 /nfs/dbraw/zinc/21/85/81/158218581.db2.gz JKSVAJRMQJVXQR-UHFFFAOYSA-N 1 0 307.394 0.996 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC000124221403 158239818 /nfs/dbraw/zinc/23/98/18/158239818.db2.gz FZJMKMWTSNOTOD-MNOVXSKESA-N 1 0 310.398 0.258 10 0 DCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000124840369 158248129 /nfs/dbraw/zinc/24/81/29/158248129.db2.gz XQTXAQPFQBZKKL-ZBFHGGJFSA-N 1 0 315.417 0.898 10 0 DCAERO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000130095905 158293418 /nfs/dbraw/zinc/29/34/18/158293418.db2.gz YZUUSMKKKCWCTH-ZDUSSCGKSA-N 1 0 313.442 0.805 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000130390504 158294920 /nfs/dbraw/zinc/29/49/20/158294920.db2.gz RRNRHOAADVCZLU-OLZOCXBDSA-N 1 0 310.442 0.884 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000131030324 158298365 /nfs/dbraw/zinc/29/83/65/158298365.db2.gz AQYZJNDOLDGYPM-CQSZACIVSA-N 1 0 310.442 0.886 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000131679166 158304555 /nfs/dbraw/zinc/30/45/55/158304555.db2.gz DMQDYOMFEZHBPN-AAEUAGOBSA-N 1 0 322.413 0.479 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000133768313 158322334 /nfs/dbraw/zinc/32/23/34/158322334.db2.gz LMKVOLBNGQJMGE-AWEZNQCLSA-N 1 0 312.391 0.879 10 0 DCAERO C[NH+](C)C1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000134985308 158331861 /nfs/dbraw/zinc/33/18/61/158331861.db2.gz KKHGLZZMZGLZNP-UHFFFAOYSA-N 1 0 324.347 0.791 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@H]1N1CCOCC1 ZINC000137270179 158345029 /nfs/dbraw/zinc/34/50/29/158345029.db2.gz CBIOUDZMJJQWBG-QLFBSQMISA-N 1 0 307.438 0.555 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)CC(C)C ZINC000139841421 158347633 /nfs/dbraw/zinc/34/76/33/158347633.db2.gz DIXXVMPQHPDCRL-KGLIPLIRSA-N 1 0 301.431 0.803 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000139667391 158347796 /nfs/dbraw/zinc/34/77/96/158347796.db2.gz IDZPYJXJTJOHAE-ZIAGYGMSSA-N 1 0 318.425 0.839 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000171637919 158385473 /nfs/dbraw/zinc/38/54/73/158385473.db2.gz NNPDPGOAINZRPT-OAGGEKHMSA-N 1 0 307.438 0.936 10 0 DCAERO OC[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)ncn2)C1 ZINC000171939024 158388373 /nfs/dbraw/zinc/38/83/73/158388373.db2.gz CCZYJZIHXPMZLC-LSDHHAIUSA-N 1 0 317.437 0.970 10 0 DCAERO CC[C@H](C)NC(=O)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172125567 158391430 /nfs/dbraw/zinc/39/14/30/158391430.db2.gz USEZDGKVHXOSRC-STQMWFEESA-N 1 0 314.430 0.263 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000172242740 158391791 /nfs/dbraw/zinc/39/17/91/158391791.db2.gz MZPNCPKKVHGYLP-ZIAGYGMSSA-N 1 0 324.425 0.113 10 0 DCAERO O=C(CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000183775284 158502740 /nfs/dbraw/zinc/50/27/40/158502740.db2.gz HFYMPPAASRLSMT-CQSZACIVSA-N 1 0 308.426 0.640 10 0 DCAERO C[C@H]1C(=O)NCCCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000191415115 158567985 /nfs/dbraw/zinc/56/79/85/158567985.db2.gz VVMKHLVKAAXFFG-LBPRGKRZSA-N 1 0 312.414 0.017 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[NH2+][C@H]3C)n2)cc1 ZINC000193631553 158587692 /nfs/dbraw/zinc/58/76/92/158587692.db2.gz AVHYVROKXBTOSV-GXTWGEPZSA-N 1 0 314.393 0.905 10 0 DCAERO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@H]2[NH3+])C1=O ZINC000248896265 158700893 /nfs/dbraw/zinc/70/08/93/158700893.db2.gz VCDGZIMNRHZMBC-JRPNMDOOSA-N 1 0 308.382 0.093 10 0 DCAERO CCN(CC)C(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262227568 158787234 /nfs/dbraw/zinc/78/72/34/158787234.db2.gz KAQKPAWJVHCAHU-LSDHHAIUSA-N 1 0 319.405 0.479 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(OCC(F)(F)F)nc1 ZINC000262224931 158787492 /nfs/dbraw/zinc/78/74/92/158787492.db2.gz JUAKYAQWLBIRML-ZJUUUORDSA-N 1 0 319.283 0.333 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C2CCCCC2)n1 ZINC000262348394 158801402 /nfs/dbraw/zinc/80/14/02/158801402.db2.gz UIAOJOYYOUHGMU-JSGCOSHPSA-N 1 0 306.410 0.778 10 0 DCAERO O=C(COc1ccccc1C(F)(F)F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262351466 158802527 /nfs/dbraw/zinc/80/25/27/158802527.db2.gz ULMMBHUTTDUEID-GXSJLCMTSA-N 1 0 318.295 0.781 10 0 DCAERO CC(C)(NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262372574 158805179 /nfs/dbraw/zinc/80/51/79/158805179.db2.gz WGZZILPJFNATGE-DGCLKSJQSA-N 1 0 320.393 0.283 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2c([nH]c1=O)CCCCC2 ZINC000262368416 158805197 /nfs/dbraw/zinc/80/51/97/158805197.db2.gz VXSNPGPGFOEHNZ-SMDDNHRTSA-N 1 0 305.378 0.366 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC[NH2+]1 ZINC000262444605 158813198 /nfs/dbraw/zinc/81/31/98/158813198.db2.gz TYYVEBBLWKISKS-MELADBBJSA-N 1 0 305.426 0.893 10 0 DCAERO C[C@@H]1[NH2+]CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@H]1C ZINC000262697997 158834268 /nfs/dbraw/zinc/83/42/68/158834268.db2.gz ADVUPLGZNCAVQX-RYUDHWBXSA-N 1 0 314.389 0.685 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)NCCC[NH3+])ccc1OC ZINC000262739424 158838192 /nfs/dbraw/zinc/83/81/92/158838192.db2.gz IGELMKPKENDYPP-UHFFFAOYSA-N 1 0 302.352 0.109 10 0 DCAERO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)C1C[NH2+]C1 ZINC000263282577 158868861 /nfs/dbraw/zinc/86/88/61/158868861.db2.gz JXKQOXMFZFALNJ-ZDUSSCGKSA-N 1 0 303.362 0.002 10 0 DCAERO Cc1nc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000329112751 159063566 /nfs/dbraw/zinc/06/35/66/159063566.db2.gz ROFBTEGZBIBSTK-GFCCVEGCSA-N 1 0 305.426 0.959 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)n1cccn1 ZINC000329146761 159067953 /nfs/dbraw/zinc/06/79/53/159067953.db2.gz OOWLAOVCSJIHCD-ZIAGYGMSSA-N 1 0 319.409 0.209 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)CCO1 ZINC000329262382 159077264 /nfs/dbraw/zinc/07/72/64/159077264.db2.gz ZKOQWVLTTINHJV-GXTWGEPZSA-N 1 0 309.410 0.319 10 0 DCAERO Cc1ccnc2nc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)nn21 ZINC000329409717 159089909 /nfs/dbraw/zinc/08/99/09/159089909.db2.gz BPMJGYDKLVNGQS-LBPRGKRZSA-N 1 0 300.366 0.599 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000329832863 159122758 /nfs/dbraw/zinc/12/27/58/159122758.db2.gz LCEIPEYYBQKQMX-CIQGVGRVSA-N 1 0 317.455 0.413 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc3c2ncnc3N)CC[N@@H+]1C ZINC000329926256 159129718 /nfs/dbraw/zinc/12/97/18/159129718.db2.gz KMMLOXNOIKTXMA-QWRGUYRKSA-N 1 0 317.397 0.350 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000332832796 159214424 /nfs/dbraw/zinc/21/44/24/159214424.db2.gz VOZVKYUCXAUFRD-NWDGAFQWSA-N 1 0 314.386 0.043 10 0 DCAERO O=C(N[C@@H](CO)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367868500 159361690 /nfs/dbraw/zinc/36/16/90/159361690.db2.gz FRSFPVNFLVTLJA-GJZGRUSLSA-N 1 0 323.824 0.880 10 0 DCAERO O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378683 159391060 /nfs/dbraw/zinc/39/10/60/159391060.db2.gz QKYJJUAWLLPRJD-HRCADAONSA-N 1 0 313.401 0.855 10 0 DCAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370532978 159525009 /nfs/dbraw/zinc/52/50/09/159525009.db2.gz HMBGUYBMWHMTFO-IATRGZMQSA-N 1 0 311.426 0.192 10 0 DCAERO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC[N@@H+]1C ZINC000407991906 160005568 /nfs/dbraw/zinc/00/55/68/160005568.db2.gz QAIZWROOSGDFHO-LBPRGKRZSA-N 1 0 307.398 0.660 10 0 DCAERO CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000408031304 160016452 /nfs/dbraw/zinc/01/64/52/160016452.db2.gz MDOLHEPFOFIEHJ-ZDUSSCGKSA-N 1 0 318.425 0.134 10 0 DCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408045254 160021264 /nfs/dbraw/zinc/02/12/64/160021264.db2.gz YPXSVSXZRSFRST-AVGNSLFASA-N 1 0 311.426 0.469 10 0 DCAERO CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000408047429 160022514 /nfs/dbraw/zinc/02/25/14/160022514.db2.gz PXTKJOHOVPZZOW-IHRRRGAJSA-N 1 0 310.442 0.125 10 0 DCAERO Cc1nnc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000408072747 160029679 /nfs/dbraw/zinc/02/96/79/160029679.db2.gz SVUMLRWSUXWDRM-ZJUUUORDSA-N 1 0 304.441 0.797 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408078928 160030880 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287120060 /nfs/dbraw/zinc/12/00/60/287120060.db2.gz NMBMIZKCSJIXFS-SGMGOOAPSA-N 1 0 311.426 0.469 10 0 DCAERO [NH3+]CC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCOCC1 ZINC000262058927 287127825 /nfs/dbraw/zinc/12/78/25/287127825.db2.gz DSZPZCZHOBODPW-UHFFFAOYSA-N 1 0 302.338 0.356 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCCCNC1=O ZINC000262515428 287128390 /nfs/dbraw/zinc/12/83/90/287128390.db2.gz NLQXMYHVBOPVDC-OVZMXSCWSA-N 1 0 309.410 0.304 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000408243673 287154678 /nfs/dbraw/zinc/15/46/78/287154678.db2.gz JNEJONMBDYBHTR-CFVMTHIKSA-N 1 0 311.426 0.301 10 0 DCAERO C[C@@H](CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)[NH+]1CCCC1 ZINC000541372168 412465503 /nfs/dbraw/zinc/46/55/03/412465503.db2.gz OHJVQKOWXUWPOJ-NSHDSACASA-N 1 0 322.413 0.572 10 0 DCAERO Cn1nccc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000026395404 415169175 /nfs/dbraw/zinc/16/91/75/415169175.db2.gz GWTZKRONCYKOTA-UHFFFAOYSA-N 1 0 300.366 0.847 10 0 DCAERO 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416143828 /nfs/dbraw/zinc/14/38/28/416143828.db2.gz NZNCPVFFCFCSAV-SWLSCSKDSA-N 1 0 314.451 0.566 10 0 DCAERO CC[C@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1CCOC ZINC000329053107 416146951 /nfs/dbraw/zinc/14/69/51/416146951.db2.gz XAGMXLGQMGGANF-OLZOCXBDSA-N 1 0 321.425 0.479 10 0 DCAERO C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCN1C1CC[NH+](C)CC1 ZINC000329079031 416148131 /nfs/dbraw/zinc/14/81/31/416148131.db2.gz BVKLZZBKUHSTQJ-GXTWGEPZSA-N 1 0 308.426 0.732 10 0 DCAERO COCCCS(=O)(=O)NCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688450 416149843 /nfs/dbraw/zinc/14/98/43/416149843.db2.gz IGZHCFBXPCSIMP-ZIAGYGMSSA-N 1 0 321.487 0.357 10 0 DCAERO O=C([C@@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1)N1CCOCC1 ZINC000177652618 416150419 /nfs/dbraw/zinc/15/04/19/416150419.db2.gz AIVQQKDUQIGVSG-ZIAGYGMSSA-N 1 0 310.394 0.510 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179066188 416181790 /nfs/dbraw/zinc/18/17/90/416181790.db2.gz NNHSWWGMZRVXGC-CVEARBPZSA-N 1 0 301.390 0.780 10 0 DCAERO CC[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@]2(CCOC2)O1 ZINC000330102313 416195982 /nfs/dbraw/zinc/19/59/82/416195982.db2.gz FSLOBGLKWGWXTJ-SQWLQELKSA-N 1 0 312.410 0.240 10 0 DCAERO COC(=O)C1CCC(C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000180436586 416196145 /nfs/dbraw/zinc/19/61/45/416196145.db2.gz OABJXVQQDULHDU-RUXDESIVSA-N 1 0 309.410 0.082 10 0 DCAERO COCCCOCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000180569976 416198677 /nfs/dbraw/zinc/19/86/77/416198677.db2.gz RWYPCSBDKHUJGC-CQSZACIVSA-N 1 0 314.426 0.751 10 0 DCAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-n2cnnn2)cc1 ZINC000180583402 416199610 /nfs/dbraw/zinc/19/96/10/416199610.db2.gz HYUNOJUUHYNQSG-AAEUAGOBSA-N 1 0 310.365 0.919 10 0 DCAERO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889789 416212490 /nfs/dbraw/zinc/21/24/90/416212490.db2.gz LXVKZRYMMLIAJV-ODOQXGPZSA-N 1 0 312.410 0.537 10 0 DCAERO Cn1nnc2cc(C(=O)NCCCC[NH+]3CCOCC3)cnc21 ZINC000182721846 416230402 /nfs/dbraw/zinc/23/04/02/416230402.db2.gz 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416310016 /nfs/dbraw/zinc/31/00/16/416310016.db2.gz FYIAPNTXHYQZFD-UHFFFAOYSA-N 1 0 320.422 0.822 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000193157035 416312458 /nfs/dbraw/zinc/31/24/58/416312458.db2.gz KWGBDKXMYZGCKJ-OLZOCXBDSA-N 1 0 318.373 0.490 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193612101 416319122 /nfs/dbraw/zinc/31/91/22/416319122.db2.gz ZGBNSZOZYGKFQK-GXFFZTMASA-N 1 0 311.407 0.513 10 0 DCAERO Cn1nc(Br)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000192109749 416299789 /nfs/dbraw/zinc/29/97/89/416299789.db2.gz BUZDASVZQIRTIS-QMMMGPOBSA-N 1 0 301.188 0.959 10 0 DCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000249029751 416334261 /nfs/dbraw/zinc/33/42/61/416334261.db2.gz LWSZVZCJLFIHDU-KGLIPLIRSA-N 1 0 322.471 0.520 10 0 DCAERO C[C@@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ncnn1C ZINC000252675541 416334560 /nfs/dbraw/zinc/33/45/60/416334560.db2.gz UHVNPBSFNSHISH-MXWKQRLJSA-N 1 0 318.385 0.340 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000261757442 416335467 /nfs/dbraw/zinc/33/54/67/416335467.db2.gz XJPFBJVYSISHCT-CHWSQXEVSA-N 1 0 318.439 0.732 10 0 DCAERO [NH3+]C1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCCC1 ZINC000237886327 416329035 /nfs/dbraw/zinc/32/90/35/416329035.db2.gz QXYBBWKSYTYYQS-ZDUSSCGKSA-N 1 0 309.410 0.355 10 0 DCAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458433862 416467239 /nfs/dbraw/zinc/46/72/39/416467239.db2.gz QOTYAHOKWNGORN-UONOGXRCSA-N 1 0 324.429 0.203 10 0 DCAERO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1nnc2n1CCC2 ZINC000536016790 416533655 /nfs/dbraw/zinc/53/36/55/416533655.db2.gz FIZOEIGFJUHYGI-LLVKDONJSA-N 1 0 315.381 0.514 10 0 DCAERO CO[C@@H]1COCC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000459009952 416518772 /nfs/dbraw/zinc/51/87/72/416518772.db2.gz PIMUUITVEBYEHG-TZMCWYRMSA-N 1 0 308.382 0.266 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)n(C)c1=O ZINC000368225998 416658278 /nfs/dbraw/zinc/65/82/78/416658278.db2.gz YRLQSZXXYXWLBP-OAHLLOKOSA-N 1 0 315.373 0.523 10 0 DCAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000545383437 416673834 /nfs/dbraw/zinc/67/38/34/416673834.db2.gz MBQBILFJXWKDIY-RDJZCZTQSA-N 1 0 305.422 0.990 10 0 DCAERO CN(C)c1nccc(N2CC[NH+](CCc3ccnn3C)CC2)n1 ZINC000514800354 416676734 /nfs/dbraw/zinc/67/67/34/416676734.db2.gz GUFAGHMTAFMLIV-UHFFFAOYSA-N 1 0 315.425 0.641 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CCCCC[C@H]([NH3+])C2)C1 ZINC000631834032 416755073 /nfs/dbraw/zinc/75/50/73/416755073.db2.gz NIYLWQZYKVWYGC-KGLIPLIRSA-N 1 0 303.472 0.861 10 0 DCAERO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000369275828 416742222 /nfs/dbraw/zinc/74/22/22/416742222.db2.gz YZYKOHBTGHQYDZ-OAHLLOKOSA-N 1 0 319.453 0.785 10 0 DCAERO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000369289899 416747119 /nfs/dbraw/zinc/74/71/19/416747119.db2.gz GOSSTLMYMMQBOY-IAQYHMDHSA-N 1 0 310.398 0.069 10 0 DCAERO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000369289901 416747370 /nfs/dbraw/zinc/74/73/70/416747370.db2.gz GOSSTLMYMMQBOY-XHDPSFHLSA-N 1 0 310.398 0.069 10 0 DCAERO C=Cn1cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cn1 ZINC000623651436 416865900 /nfs/dbraw/zinc/86/59/00/416865900.db2.gz MKIFOUYZKKBVBP-ZDUSSCGKSA-N 1 0 310.365 0.790 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCSCC1 ZINC000519724469 416933784 /nfs/dbraw/zinc/93/37/84/416933784.db2.gz LGNPNRYQDYUAAR-AAEUAGOBSA-N 1 0 311.451 0.551 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)cn1 ZINC000446660758 416938953 /nfs/dbraw/zinc/93/89/53/416938953.db2.gz ZRICYSMMHUBGSI-UHFFFAOYSA-N 1 0 303.297 0.204 10 0 DCAERO CC(=O)c1cn(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000448932518 417112385 /nfs/dbraw/zinc/11/23/85/417112385.db2.gz JOMXLDYFEUQOIX-TXEJJXNPSA-N 1 0 307.398 0.860 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000408424576 417161899 /nfs/dbraw/zinc/16/18/99/417161899.db2.gz WJHHRIJAWBNASS-OLZOCXBDSA-N 1 0 319.409 0.752 10 0 DCAERO Cn1nc(NC(=O)N2CCC[N@H+](C)CC2)cc1OC(F)F ZINC000408380769 417159002 /nfs/dbraw/zinc/15/90/02/417159002.db2.gz CLRHRLGBIWCTJJ-UHFFFAOYSA-N 1 0 303.313 1.191 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000526102489 417182314 /nfs/dbraw/zinc/18/23/14/417182314.db2.gz YXVAXTYQTAAZMI-UHFFFAOYSA-N 1 0 317.393 0.922 10 0 DCAERO c1cnc(-c2ccnc(NCCCC[NH+]3CCOCC3)n2)cn1 ZINC000450253792 417210165 /nfs/dbraw/zinc/21/01/65/417210165.db2.gz FXWWHYMMORQNJV-UHFFFAOYSA-N 1 0 314.393 1.458 10 0 DCAERO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451132211 417302287 /nfs/dbraw/zinc/30/22/87/417302287.db2.gz IHEUJJCGVQTDFV-QWHCGFSZSA-N 1 0 312.410 0.803 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCN2CCO[C@@H](C)C2)CC12COC2 ZINC000451129602 417302592 /nfs/dbraw/zinc/30/25/92/417302592.db2.gz DAOCGOXIRAIADZ-UONOGXRCSA-N 1 0 312.410 0.219 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CC12COC2 ZINC000451128088 417303533 /nfs/dbraw/zinc/30/35/33/417303533.db2.gz AVDLZEUMWKDGIV-MWLCHTKSSA-N 1 0 311.300 0.811 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CCCN2CCOCC2)CC12COC2 ZINC000451134668 417303572 /nfs/dbraw/zinc/30/35/72/417303572.db2.gz LIXYCIFVSFCVML-AWEZNQCLSA-N 1 0 312.410 0.220 10 0 DCAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)CN2CCOCC2)CC12COC2 ZINC000451137091 417304853 /nfs/dbraw/zinc/30/48/53/417304853.db2.gz OKOVTNOFPASXTL-KBPBESRZSA-N 1 0 312.410 0.219 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000633196324 417389862 /nfs/dbraw/zinc/38/98/62/417389862.db2.gz PMYBBKRYFRLEHS-RBSFLKMASA-N 1 0 309.410 0.319 10 0 DCAERO C[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000451672208 417378523 /nfs/dbraw/zinc/37/85/23/417378523.db2.gz SECWRLPRLJBZJB-QWHCGFSZSA-N 1 0 305.444 0.152 10 0 DCAERO CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000644110852 417474289 /nfs/dbraw/zinc/47/42/89/417474289.db2.gz OFIREFOYPWEYQT-VXGBXAGGSA-N 1 0 303.428 0.011 10 0 DCAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](O)CN2CCCCC2)CC1 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CCOC(=O)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC12COC2 ZINC000452620057 287483042 /nfs/dbraw/zinc/48/30/42/287483042.db2.gz YKXRXXSEDNJJBY-CQSZACIVSA-N 1 0 324.421 0.756 10 0 DCAERO Cc1nccn1CCC[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000299743847 229382816 /nfs/dbraw/zinc/38/28/16/229382816.db2.gz PIZUBCUYGKZNPJ-CYBMUJFWSA-N 1 0 317.397 0.609 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000229592875 545946729 /nfs/dbraw/zinc/94/67/29/545946729.db2.gz ANNARSYFEGKSDS-WCBMZHEXSA-N 1 0 310.379 0.275 10 0 DCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000105933144 261108017 /nfs/dbraw/zinc/10/80/17/261108017.db2.gz RWRQSCKSZZRLHX-DOMZBBRYSA-N 1 0 309.385 0.751 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)C(C)C ZINC000183634640 261116156 /nfs/dbraw/zinc/11/61/56/261116156.db2.gz OGSIEYZYAZJXFF-BBRMVZONSA-N 1 0 319.405 0.987 10 0 DCAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C1 ZINC000187956341 261124992 /nfs/dbraw/zinc/12/49/92/261124992.db2.gz QQSGWBFRFWSPPV-CZUORRHYSA-N 1 0 311.426 0.208 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1nc2ncccn2n1 ZINC000193512465 261142669 /nfs/dbraw/zinc/14/26/69/261142669.db2.gz YMDPNDKXQUAKGI-LBPRGKRZSA-N 1 0 304.398 0.759 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cnc2ccccc2c1=O ZINC000194717098 261147757 /nfs/dbraw/zinc/14/77/57/261147757.db2.gz UPJAVRBRWZHLHN-ZDUSSCGKSA-N 1 0 314.389 0.997 10 0 DCAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)CC1 ZINC000194826065 261148552 /nfs/dbraw/zinc/14/85/52/261148552.db2.gz HIAOMTSFKXNDNO-CQSZACIVSA-N 1 0 316.405 0.509 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000362786978 262072526 /nfs/dbraw/zinc/07/25/26/262072526.db2.gz FUMJCVDQXGUMMX-AWEZNQCLSA-N 1 0 305.426 0.151 10 0 DCAERO COCC[C@@]1(C(=O)NCc2ccc(CO)c(F)c2)CC[NH2+]C1 ZINC000370803118 262152357 /nfs/dbraw/zinc/15/23/57/262152357.db2.gz NLVZZBDBBIGOTP-INIZCTEOSA-N 1 0 310.369 0.950 10 0 DCAERO C=CC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370856146 262153895 /nfs/dbraw/zinc/15/38/95/262153895.db2.gz KNOGIBFBMWJPSV-HNNXBMFYSA-N 1 0 322.453 0.306 10 0 DCAERO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000359009295 271087987 /nfs/dbraw/zinc/08/79/87/271087987.db2.gz YZLBOPKKFDNNQA-BPLDGKMQSA-N 1 0 308.426 0.875 10 0 DCAERO COc1cc2c(c(C[NH2+]C[C@H](O)Cn3ccnn3)c1)O[C@H](C)C2 ZINC000459688467 272004537 /nfs/dbraw/zinc/00/45/37/272004537.db2.gz CHFYUHVUHODPIJ-RISCZKNCSA-N 1 0 318.377 0.761 10 0 DCAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCc2c(=O)[nH]cnc2C1 ZINC000407998286 275003231 /nfs/dbraw/zinc/00/32/31/275003231.db2.gz PWYXBYPGDUEIQA-CQSZACIVSA-N 1 0 302.378 0.941 10 0 DCAERO CC(=O)Nc1nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cs1 ZINC000116791535 275496611 /nfs/dbraw/zinc/49/66/11/275496611.db2.gz XJLKOMFJRDREQX-JTQLQIEISA-N 1 0 312.395 0.504 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112744148 275912219 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/nfs/dbraw/zinc/10/95/72/278109572.db2.gz YLDQPGDZTAAPGN-LSDHHAIUSA-N 1 0 315.483 0.828 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546915184 288033933 /nfs/dbraw/zinc/03/39/33/288033933.db2.gz VGQZRRKMNGUAQA-ZIAGYGMSSA-N 1 0 308.426 0.923 10 0 DCAERO CC1(C)CN(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000261782726 278339059 /nfs/dbraw/zinc/33/90/59/278339059.db2.gz NBSLMJRTGPTJPN-LLVKDONJSA-N 1 0 305.444 0.401 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000262832652 278840112 /nfs/dbraw/zinc/84/01/12/278840112.db2.gz QOMRQJRZLHVKFW-KATARQTJSA-N 1 0 307.316 0.558 10 0 DCAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000548060872 288107567 /nfs/dbraw/zinc/10/75/67/288107567.db2.gz ZWDMUFVUKUZOTN-RHSMWYFYSA-N 1 0 321.421 0.446 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000548060493 288107579 /nfs/dbraw/zinc/10/75/79/288107579.db2.gz CIGVRIIMGYXOGT-CPUCHLNUSA-N 1 0 319.405 0.342 10 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CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000580365362 336260429 /nfs/dbraw/zinc/26/04/29/336260429.db2.gz PCVMSPJVMPTBSX-ZNMIVQPWSA-N 1 0 323.437 0.757 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCSC)CC1 ZINC000171560858 341780436 /nfs/dbraw/zinc/78/04/36/341780436.db2.gz NXFXNCFBVPEYMF-UHFFFAOYSA-N 1 0 301.456 0.752 10 0 DCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000576511434 341849923 /nfs/dbraw/zinc/84/99/23/341849923.db2.gz JZZKOKLLOBQJKR-OLZOCXBDSA-N 1 0 308.444 0.035 10 0 DCAERO CC(C)[C@@H]([NH2+]CCN1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000249263820 519798899 /nfs/dbraw/zinc/79/88/99/519798899.db2.gz HRTFQSWQTWVBBG-HUUCEWRRSA-N 1 0 313.442 0.180 10 0 DCAERO CCN(CC(C)(C)O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000163421140 520397937 /nfs/dbraw/zinc/39/79/37/520397937.db2.gz VKGPDIVVQZBFPJ-UHFFFAOYSA-N 1 0 301.431 0.901 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000186302934 521603534 /nfs/dbraw/zinc/60/35/34/521603534.db2.gz 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CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C ZINC000886097362 667731979 /nfs/dbraw/zinc/73/19/79/667731979.db2.gz WQQODRQXDJUIRT-IUODEOHRSA-N 1 0 321.425 0.540 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000124514785 668078369 /nfs/dbraw/zinc/07/83/69/668078369.db2.gz NHXSUBIHDOIDCQ-RKDXNWHRSA-N 1 0 306.819 0.788 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717063066 668146910 /nfs/dbraw/zinc/14/69/10/668146910.db2.gz CKAMVYQRPXHIHT-DTWKUNHWSA-N 1 0 303.350 0.783 10 0 DCAERO Cn1nccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717086550 668575904 /nfs/dbraw/zinc/57/59/04/668575904.db2.gz WFILEGYTVDLNGT-YUMQZZPRSA-N 1 0 312.317 0.320 10 0 DCAERO COc1cc(OC)cc([C@H](O)CNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000128144547 669147622 /nfs/dbraw/zinc/14/76/22/669147622.db2.gz SPDNAJBDFCVQLZ-IAQYHMDHSA-N 1 0 308.378 0.853 10 0 DCAERO CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000155613967 669834094 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0.434 10 0 DCAERO CNC(=O)[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000178450154 529896981 /nfs/dbraw/zinc/89/69/81/529896981.db2.gz VJVCMXNHAFRCSI-LBPRGKRZSA-N 1 0 314.430 0.167 10 0 DCAERO COc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000103286219 185444205 /nfs/dbraw/zinc/44/42/05/185444205.db2.gz WLICTOITWRTMJP-JSGCOSHPSA-N 1 0 319.405 0.897 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000236648201 201947278 /nfs/dbraw/zinc/94/72/78/201947278.db2.gz YUTMIZMTNWBECW-LLVKDONJSA-N 1 0 310.398 0.341 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@H]2CCCc3c(O)cccc32)n(C)c1=O ZINC000192346690 282561393 /nfs/dbraw/zinc/56/13/93/282561393.db2.gz HXQSPLDTRFHOJN-AWEZNQCLSA-N 1 0 315.373 0.957 10 0 DCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000171900021 198003659 /nfs/dbraw/zinc/00/36/59/198003659.db2.gz OMGGQVRUWXHBHY-LBPRGKRZSA-N 1 0 306.366 0.499 10 0 DCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171900007 198004189 /nfs/dbraw/zinc/00/41/89/198004189.db2.gz GSUUKTUWAMDUQJ-OAHLLOKOSA-N 1 0 316.405 0.906 10 0 DCAERO C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1cccnc1 ZINC000173916424 198267914 /nfs/dbraw/zinc/26/79/14/198267914.db2.gz YDTYRYDCRAJWFZ-ZDUSSCGKSA-N 1 0 304.394 0.418 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2COc3ccccc32)CC1=O ZINC000174378780 198327378 /nfs/dbraw/zinc/32/73/78/198327378.db2.gz ZEPPYNCCYWNKMZ-OCCSQVGLSA-N 1 0 317.389 0.646 10 0 DCAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000182112190 199388531 /nfs/dbraw/zinc/38/85/31/199388531.db2.gz MWQKLOCXCFNDQW-LBPRGKRZSA-N 1 0 307.398 0.651 10 0 DCAERO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000174659610 198366975 /nfs/dbraw/zinc/36/69/75/198366975.db2.gz RRSCAMPKFDWIQL-SNVBAGLBSA-N 1 0 320.436 0.419 10 0 DCAERO COC(=O)CCN(C)S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000262825604 291014524 /nfs/dbraw/zinc/01/45/24/291014524.db2.gz HHRCURMVIVOAHE-WCQYABFASA-N 1 0 321.443 0.223 10 0 DCAERO 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CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546853 193071230 /nfs/dbraw/zinc/07/12/30/193071230.db2.gz NBRBCSOVMMYGOY-QWRGUYRKSA-N 1 0 303.428 0.044 10 0 DCAERO CC(C)(CNC(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCCCC1 ZINC000457459913 241008820 /nfs/dbraw/zinc/00/88/20/241008820.db2.gz NEQJURMPHFRKIT-ZDUSSCGKSA-N 1 0 324.429 0.203 10 0 DCAERO O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176604108 284049528 /nfs/dbraw/zinc/04/95/28/284049528.db2.gz FBATVLDSUKQSQK-CHWSQXEVSA-N 1 0 304.398 0.993 10 0 DCAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CNC(=O)C1 ZINC000093064018 193198906 /nfs/dbraw/zinc/19/89/06/193198906.db2.gz SAPJPHRFFQUMDX-ZDUSSCGKSA-N 1 0 302.378 0.550 10 0 DCAERO CCOc1ccccc1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000019809641 182152986 /nfs/dbraw/zinc/15/29/86/182152986.db2.gz KYOCFUAQLBEALR-SNVBAGLBSA-N 1 0 300.380 0.786 10 0 DCAERO CC[NH+](CC)CCN(CCC(F)(F)F)CC(=O)NC(N)=O ZINC000084140078 284616581 /nfs/dbraw/zinc/61/65/81/284616581.db2.gz 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/nfs/dbraw/zinc/15/04/51/194150451.db2.gz FFGUKWMULLYJAC-UHFFFAOYSA-N 1 0 307.442 0.806 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000106386917 194206591 /nfs/dbraw/zinc/20/65/91/194206591.db2.gz MCDXZFFXFDFPOF-LBPRGKRZSA-N 1 0 304.398 0.565 10 0 DCAERO CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814104 194290426 /nfs/dbraw/zinc/29/04/26/194290426.db2.gz FLIJCGNJRWBUGW-ZDUSSCGKSA-N 1 0 318.377 0.569 10 0 DCAERO CCC[NH+]1CCC(CNS(=O)(=O)N(C)CCOC)CC1 ZINC000110110091 194311317 /nfs/dbraw/zinc/31/13/17/194311317.db2.gz YSZCGQBXPYFEPE-UHFFFAOYSA-N 1 0 307.460 0.521 10 0 DCAERO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111102690 194391024 /nfs/dbraw/zinc/39/10/24/194391024.db2.gz UQONEIIQCCGORN-KBPBESRZSA-N 1 0 324.421 0.947 10 0 DCAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000063018096 184267202 /nfs/dbraw/zinc/26/72/02/184267202.db2.gz IPMFVJURPRZDIO-VXGBXAGGSA-N 1 0 311.469 0.472 10 0 DCAERO O=C([C@@H]1CNC(=O)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175123622 252600225 /nfs/dbraw/zinc/60/02/25/252600225.db2.gz XNRXJZIZSGEGIP-ZDUSSCGKSA-N 1 0 309.410 0.226 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000333358867 252712349 /nfs/dbraw/zinc/71/23/49/252712349.db2.gz KSQWQFZXLFDAAX-DRZSPHRISA-N 1 0 320.397 0.047 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000189447794 285035721 /nfs/dbraw/zinc/03/57/21/285035721.db2.gz JWJGQXPRDRQCJF-LBPRGKRZSA-N 1 0 313.427 0.757 10 0 DCAERO COCC[N@@H+]1CCOCC12CCN(Cc1ccn(C)n1)CC2 ZINC000096074619 285053426 /nfs/dbraw/zinc/05/34/26/285053426.db2.gz ZHTCECMYLCLOOD-UHFFFAOYSA-N 1 0 308.426 0.733 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000340485533 253264281 /nfs/dbraw/zinc/26/42/81/253264281.db2.gz BRCDXLHJSZPFCA-CHWSQXEVSA-N 1 0 323.437 0.613 10 0 DCAERO CC[N@@H+]1C[C@@H]2N(c3ncccn3)CCC[C@]2(C(=O)N(C)C)C1 ZINC000248009133 257111522 /nfs/dbraw/zinc/11/15/22/257111522.db2.gz OXZZOPSYKTZTHA-BBRMVZONSA-N 1 0 303.410 0.856 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1ccoc1)C2 ZINC000247539770 257118557 /nfs/dbraw/zinc/11/85/57/257118557.db2.gz RUJGCTQZNNMIIJ-QWHCGFSZSA-N 1 0 300.380 0.277 10 0 DCAERO COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](OC)C[C@H]2CO)cc1 ZINC000284720559 131106812 /nfs/dbraw/zinc/10/68/12/131106812.db2.gz VXGMSBZUXZVHIT-GOEBONIOSA-N 1 0 322.405 0.735 10 0 DCAERO Cc1cc(C)c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c(=O)[nH]1 ZINC000285390436 131163292 /nfs/dbraw/zinc/16/32/92/131163292.db2.gz XDCAMGZHCXGIEK-OLZOCXBDSA-N 1 0 305.378 0.949 10 0 DCAERO C[C@@](O)(CO)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000090288348 395718583 /nfs/dbraw/zinc/71/85/83/395718583.db2.gz GVORBVNNQYFUNP-OCCSQVGLSA-N 1 0 303.786 0.550 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC2([NH3+])CCCCCC2)C[C@H](C)O1 ZINC000036266805 395722942 /nfs/dbraw/zinc/72/29/42/395722942.db2.gz PEKHUPSGCFFDCF-BETUJISGSA-N 1 0 319.471 0.982 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC2([NH3+])CCCCCC2)C[C@H](C)O1 ZINC000036266806 395722984 /nfs/dbraw/zinc/72/29/84/395722984.db2.gz PEKHUPSGCFFDCF-STQMWFEESA-N 1 0 319.471 0.982 10 0 DCAERO CC1(C)OC[C@H]2O[C@@H](OCc3ccccc3)[C@H]([NH3+])[C@@H](O)[C@@H]2O1 ZINC000036432925 395723374 /nfs/dbraw/zinc/72/33/74/395723374.db2.gz MKWVOCKAMGNAAQ-KJWHEZOQSA-N 1 0 309.362 0.768 10 0 DCAERO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000093741052 395738791 /nfs/dbraw/zinc/73/87/91/395738791.db2.gz TWRRBFHGDHCXRW-HOTGVXAUSA-N 1 0 323.462 0.696 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000194031178 395786477 /nfs/dbraw/zinc/78/64/77/395786477.db2.gz XKXMQEFKGWHOOQ-QWHCGFSZSA-N 1 0 307.394 0.546 10 0 DCAERO COCc1cccc(CNC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193608493 395774030 /nfs/dbraw/zinc/77/40/30/395774030.db2.gz IDRQEYJYMQBRKI-CALCHBBNSA-N 1 0 317.433 0.943 10 0 DCAERO CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(=O)OC ZINC000193628509 395774977 /nfs/dbraw/zinc/77/49/77/395774977.db2.gz 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ZINC000115440871 395839987 /nfs/dbraw/zinc/83/99/87/395839987.db2.gz KAJWROWGHCHYJJ-LLVKDONJSA-N 1 0 310.398 0.117 10 0 DCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000116319756 395843090 /nfs/dbraw/zinc/84/30/90/395843090.db2.gz VDUGDZXEORCJSO-MJBXVCDLSA-N 1 0 306.410 0.845 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 ZINC000116784178 395845499 /nfs/dbraw/zinc/84/54/99/395845499.db2.gz LFGIZZWOOUSAPN-AWEZNQCLSA-N 1 0 315.377 0.670 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCO1 ZINC000116785441 395845513 /nfs/dbraw/zinc/84/55/13/395845513.db2.gz GDKAPWVYMVPIPE-HNNXBMFYSA-N 1 0 315.377 0.670 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)CCO1 ZINC000116792292 395846200 /nfs/dbraw/zinc/84/62/00/395846200.db2.gz SRBWTJIRYMYXKV-CQSZACIVSA-N 1 0 320.393 0.258 10 0 DCAERO NS(=O)(=O)c1cnc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000116884586 395847658 /nfs/dbraw/zinc/84/76/58/395847658.db2.gz WLRNRZRFBRENTJ-UHFFFAOYSA-N 1 0 305.787 0.761 10 0 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C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCN1C(=O)CN(C)C1=O ZINC000246801120 395958068 /nfs/dbraw/zinc/95/80/68/395958068.db2.gz BUHJLIYHEGVFBN-OLZOCXBDSA-N 1 0 322.409 0.356 10 0 DCAERO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246855616 395959523 /nfs/dbraw/zinc/95/95/23/395959523.db2.gz FGQIOXYKCOKXGI-LSDHHAIUSA-N 1 0 313.442 0.324 10 0 DCAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCN(C)C2=O)ncn1 ZINC000246875478 395960439 /nfs/dbraw/zinc/96/04/39/395960439.db2.gz FRDJJHYAHVAXFR-NEPJUHHUSA-N 1 0 304.398 0.307 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2cccnc2)C1 ZINC000247330978 395971437 /nfs/dbraw/zinc/97/14/37/395971437.db2.gz UXWHTWBZMCRJKM-GJZGRUSLSA-N 1 0 316.405 0.754 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccnc2)C1 ZINC000151299177 395983574 /nfs/dbraw/zinc/98/35/74/395983574.db2.gz WZVYFBKSSNOACE-ZDUSSCGKSA-N 1 0 304.394 0.660 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000151324092 395983978 /nfs/dbraw/zinc/98/39/78/395983978.db2.gz ZYTGJJNQNFHVNE-VXGBXAGGSA-N 1 0 323.397 0.019 10 0 DCAERO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1cccnc1 ZINC000151537956 395987498 /nfs/dbraw/zinc/98/74/98/395987498.db2.gz IYNVEHZUQLQGRI-CQSZACIVSA-N 1 0 322.409 0.284 10 0 DCAERO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000151609883 395988950 /nfs/dbraw/zinc/98/89/50/395988950.db2.gz WJKMYSUUATZCIV-KGLIPLIRSA-N 1 0 306.410 0.653 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248626124 395991356 /nfs/dbraw/zinc/99/13/56/395991356.db2.gz UYGSWLLXCQNMOU-RWMBFGLXSA-N 1 0 300.399 0.847 10 0 DCAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)CN1CCOCC1 ZINC000253187003 396025530 /nfs/dbraw/zinc/02/55/30/396025530.db2.gz BDUGTERUORRFJJ-BZUAXINKSA-N 1 0 308.426 0.650 10 0 DCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000154111619 396031506 /nfs/dbraw/zinc/03/15/06/396031506.db2.gz IDIPFZCCLKHZHM-NSHDSACASA-N 1 0 310.398 0.115 10 0 DCAERO CC[N@@H+]1C[C@@H]2CCN(C(=O)CCO)C[C@]2(c2nc(C)no2)C1 ZINC000257190289 396034976 /nfs/dbraw/zinc/03/49/76/396034976.db2.gz MCTJRNGTXFBPCS-SWLSCSKDSA-N 1 0 308.382 0.182 10 0 DCAERO Cc1nn(C)c(C)c1CN1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000154681732 396041589 /nfs/dbraw/zinc/04/15/89/396041589.db2.gz OFMPIGSLIPMQNQ-UHFFFAOYSA-N 1 0 305.426 0.433 10 0 DCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261603859 396047817 /nfs/dbraw/zinc/04/78/17/396047817.db2.gz AINYKZSUOXAVOZ-UONOGXRCSA-N 1 0 311.426 0.504 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261575813 396048241 /nfs/dbraw/zinc/04/82/41/396048241.db2.gz BTRQQAUVJAQWSH-WPRPVWTQSA-N 1 0 304.803 0.446 10 0 DCAERO CCC[NH2+]CCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000261605337 396048827 /nfs/dbraw/zinc/04/88/27/396048827.db2.gz DEOFKKUIXPZQMV-UHFFFAOYSA-N 1 0 302.378 0.592 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000261633409 396050880 /nfs/dbraw/zinc/05/08/80/396050880.db2.gz COLHXCZTIRPDQQ-LLVKDONJSA-N 1 0 307.398 0.426 10 0 DCAERO Cc1ccc(NC(=O)CN(C)C(=O)C2([NH3+])CCOCC2)cc1 ZINC000261649376 396052586 /nfs/dbraw/zinc/05/25/86/396052586.db2.gz AKHDDNVHYYZQQV-UHFFFAOYSA-N 1 0 305.378 0.900 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000156136567 396061032 /nfs/dbraw/zinc/06/10/32/396061032.db2.gz VJNSLGUEDXBVGU-CMPLNLGQSA-N 1 0 311.407 0.547 10 0 DCAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000261750787 396062161 /nfs/dbraw/zinc/06/21/61/396062161.db2.gz FFJIRJMIBTZCQO-LBPRGKRZSA-N 1 0 315.377 0.952 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261756387 396062587 /nfs/dbraw/zinc/06/25/87/396062587.db2.gz NHNCXXMPSZILFO-QXEWZRGKSA-N 1 0 318.830 0.821 10 0 DCAERO CCn1cnc(S(=O)(=O)NCC2(COC)CC[NH2+]CC2)c1 ZINC000261771910 396064070 /nfs/dbraw/zinc/06/40/70/396064070.db2.gz WCABZZZTUZUULO-UHFFFAOYSA-N 1 0 316.427 0.198 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152237505 396003670 /nfs/dbraw/zinc/00/36/70/396003670.db2.gz MUQQHGYDCMFDEQ-ZDUSSCGKSA-N 1 0 304.350 0.477 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc(-c2ccsc2)no1 ZINC000261826959 396070382 /nfs/dbraw/zinc/07/03/82/396070382.db2.gz BEYIJEMLPYXBPT-UHFFFAOYSA-N 1 0 321.406 0.662 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000262052902 396093694 /nfs/dbraw/zinc/09/36/94/396093694.db2.gz RBOOKHSGXDKBLA-INIZCTEOSA-N 1 0 305.378 0.622 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000170867504 396099740 /nfs/dbraw/zinc/09/97/40/396099740.db2.gz YAYXXZQDEHMETH-CHWSQXEVSA-N 1 0 305.378 0.791 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000070170306 396100286 /nfs/dbraw/zinc/10/02/86/396100286.db2.gz ASDNHEGVLNWKTL-JHJVBQTASA-N 1 0 305.444 0.401 10 0 DCAERO COC(=O)c1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460972 396102025 /nfs/dbraw/zinc/10/20/25/396102025.db2.gz IFGGCNBULHSTOJ-UHFFFAOYSA-N 1 0 301.350 0.459 10 0 DCAERO O=C(Nc1nnc(Cc2ccccc2F)s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262451934 396141893 /nfs/dbraw/zinc/14/18/93/396141893.db2.gz USXTYXIVTNOAJW-MWLCHTKSSA-N 1 0 322.365 0.929 10 0 DCAERO CC(C)COC1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262146641 396104470 /nfs/dbraw/zinc/10/44/70/396104470.db2.gz OXWGNDJYLBKBMP-HNNXBMFYSA-N 1 0 313.442 0.750 10 0 DCAERO [NH3+]CC1(C(=O)N2CCCN(CC(F)(F)F)CC2)CCOCC1 ZINC000262224878 396112576 /nfs/dbraw/zinc/11/25/76/396112576.db2.gz JSYHHUSDPIRNIY-UHFFFAOYSA-N 1 0 323.359 0.839 10 0 DCAERO O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262457922 396142409 /nfs/dbraw/zinc/14/24/09/396142409.db2.gz VNEZZMGWZQUTHO-BQBZGAKWSA-N 1 0 302.128 0.211 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397412 396113777 /nfs/dbraw/zinc/11/37/77/396113777.db2.gz YJQOLLHYBQJFKC-SNVBAGLBSA-N 1 0 316.379 0.713 10 0 DCAERO O[C@@H](Cn1cccn1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000171941996 396127423 /nfs/dbraw/zinc/12/74/23/396127423.db2.gz XMMKPWAHWZXPEM-HZPDHXFCSA-N 1 0 308.426 0.431 10 0 DCAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000262368940 396131200 /nfs/dbraw/zinc/13/12/00/396131200.db2.gz WLNQWUBSQDDXEW-WCBMZHEXSA-N 1 0 312.420 0.968 10 0 DCAERO C[C@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000262390872 396134111 /nfs/dbraw/zinc/13/41/11/396134111.db2.gz OEVBNIYNFBIPLH-UPJWGTAASA-N 1 0 306.410 0.906 10 0 DCAERO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1OCC(N)=O ZINC000262440239 396140258 /nfs/dbraw/zinc/14/02/58/396140258.db2.gz SRUMPWVUDMZVAF-QWRGUYRKSA-N 1 0 321.377 0.886 10 0 DCAERO [NH3+][C@H](C(=O)NC[C@H]1CCCN1c1cccnn1)C1CCOCC1 ZINC000261868461 396073977 /nfs/dbraw/zinc/07/39/77/396073977.db2.gz STYAQBQLTYAISX-HIFRSBDPSA-N 1 0 319.409 0.316 10 0 DCAERO CCOC(=O)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261874846 396074806 /nfs/dbraw/zinc/07/48/06/396074806.db2.gz OOLAQLOWTIWYHH-AWEZNQCLSA-N 1 0 320.389 0.957 10 0 DCAERO CN1CC[C@@H](C(=O)N2CCNC[C@H]2c2cccnc2)CC1=O ZINC000261948070 396082655 /nfs/dbraw/zinc/08/26/55/396082655.db2.gz LGTQHJOAFOHIEJ-OCCSQVGLSA-N 1 0 302.378 0.423 10 0 DCAERO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261948968 396082747 /nfs/dbraw/zinc/08/27/47/396082747.db2.gz JXEBKWPMYPGYKL-MEDUHNTESA-N 1 0 322.409 0.293 10 0 DCAERO COC(=O)[C@H](C)Oc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263208266 396205975 /nfs/dbraw/zinc/20/59/75/396205975.db2.gz JYOLZDFTPXHJHG-CORIIIEPSA-N 1 0 308.378 0.297 10 0 DCAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000263239820 396208557 /nfs/dbraw/zinc/20/85/57/396208557.db2.gz OKFUNUIHODSPGH-WZRBSPASSA-N 1 0 303.428 0.044 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(S(C)(=O)=O)o2)n1 ZINC000263253697 396209583 /nfs/dbraw/zinc/20/95/83/396209583.db2.gz QGNVGLYQLGLWFJ-MRVPVSSYSA-N 1 0 312.351 0.309 10 0 DCAERO CCCNC(=O)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262558890 396155309 /nfs/dbraw/zinc/15/53/09/396155309.db2.gz UVXDRMMIOJWFCV-DETPVDSQSA-N 1 0 311.426 0.551 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262744233 396178132 /nfs/dbraw/zinc/17/81/32/396178132.db2.gz DDFQRLSTTXDEGY-GWCFXTLKSA-N 1 0 311.407 0.323 10 0 DCAERO CCc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000177679701 396181002 /nfs/dbraw/zinc/18/10/02/396181002.db2.gz QYIVHLOQHMACOR-OAHLLOKOSA-N 1 0 319.405 0.977 10 0 DCAERO COc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697137 396181977 /nfs/dbraw/zinc/18/19/77/396181977.db2.gz VSISVBNVVIDSIW-LBPRGKRZSA-N 1 0 303.362 0.940 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262914540 396191468 /nfs/dbraw/zinc/19/14/68/396191468.db2.gz GEJWQDQQMAHGHF-GFCCVEGCSA-N 1 0 303.353 0.307 10 0 DCAERO Cc1ccn(C[C@](C)(O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(=O)c1 ZINC000280376603 396196775 /nfs/dbraw/zinc/19/67/75/396196775.db2.gz DDVIYPKKAZRAAU-YOEHRIQHSA-N 1 0 319.405 0.214 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)NCc1ccccc1 ZINC000178629729 396202271 /nfs/dbraw/zinc/20/22/71/396202271.db2.gz MZDSVCZHBAUBNM-OAHLLOKOSA-N 1 0 316.405 0.792 10 0 DCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000183223642 396264834 /nfs/dbraw/zinc/26/48/34/396264834.db2.gz AMHRPEAYGCNEAA-NFAWXSAZSA-N 1 0 313.442 0.451 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282223202 396273708 /nfs/dbraw/zinc/27/37/08/396273708.db2.gz YXEUJCSXDFGHPB-RYUDHWBXSA-N 1 0 319.409 0.982 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183913189 396277272 /nfs/dbraw/zinc/27/72/72/396277272.db2.gz FONFZXZHKWMBBH-LLVKDONJSA-N 1 0 305.382 0.681 10 0 DCAERO COC(=O)c1coc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000183983408 396280208 /nfs/dbraw/zinc/28/02/08/396280208.db2.gz NTYNRBUMFMWEGV-LBPRGKRZSA-N 1 0 310.350 0.643 10 0 DCAERO O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccnn1C1CCCC1 ZINC000179171262 396223409 /nfs/dbraw/zinc/22/34/09/396223409.db2.gz FUTNGLSOBUMRJA-CHWSQXEVSA-N 1 0 308.382 0.364 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cn1nc2ccccn2c1=O ZINC000077730535 396229927 /nfs/dbraw/zinc/22/99/27/396229927.db2.gz PFLHVUAXJABYIT-ZDUSSCGKSA-N 1 0 319.409 0.589 10 0 DCAERO COCCn1nc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1=O ZINC000077729918 396230171 /nfs/dbraw/zinc/23/01/71/396230171.db2.gz GMUKVWWFWHRBDJ-ZDUSSCGKSA-N 1 0 324.425 0.596 10 0 DCAERO CNC(=O)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184973027 396312193 /nfs/dbraw/zinc/31/21/93/396312193.db2.gz IGMBBNFYIOYBOU-UHFFFAOYSA-N 1 0 304.394 0.821 10 0 DCAERO C[NH+](C)CCOc1cc(C(=O)NCCCn2ccnn2)ccn1 ZINC000185005339 396314022 /nfs/dbraw/zinc/31/40/22/396314022.db2.gz PWVBJBQUZSFZQJ-UHFFFAOYSA-N 1 0 318.381 0.434 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000185035705 396315090 /nfs/dbraw/zinc/31/50/90/396315090.db2.gz CSAWIOXGKVYYQU-HNNXBMFYSA-N 1 0 312.458 0.569 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000184396084 396293176 /nfs/dbraw/zinc/29/31/76/396293176.db2.gz VCBZFXQZKGPZDQ-HUUCEWRRSA-N 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/nfs/dbraw/zinc/35/60/25/396356025.db2.gz XANAWIZVSWGOJA-NEPJUHHUSA-N 1 0 322.409 0.355 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000186798849 396358526 /nfs/dbraw/zinc/35/85/26/396358526.db2.gz JAFLZVMEHGSQLJ-AAEUAGOBSA-N 1 0 302.440 0.848 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187438493 396369650 /nfs/dbraw/zinc/36/96/50/396369650.db2.gz NXAOIERPIOKNAI-TZMCWYRMSA-N 1 0 308.426 0.779 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@H]1CC ZINC000186428942 396349801 /nfs/dbraw/zinc/34/98/01/396349801.db2.gz BDLWRQDSTISXSM-NWDGAFQWSA-N 1 0 300.403 0.003 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000188407398 396381863 /nfs/dbraw/zinc/38/18/63/396381863.db2.gz AOXZRUNOVCNIKS-GFCCVEGCSA-N 1 0 314.430 0.119 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H]1C(N)=O ZINC000286276581 396385353 /nfs/dbraw/zinc/38/53/53/396385353.db2.gz SEVIGROGJDWLJJ-BXUZGUMPSA-N 1 0 323.368 0.374 10 0 DCAERO O=C(NC1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1)C1CCC1 ZINC000188804130 396386663 /nfs/dbraw/zinc/38/66/63/396386663.db2.gz NXTWRANPSSPGDX-LBPRGKRZSA-N 1 0 320.437 0.781 10 0 DCAERO O=C(Cn1nnc(-c2ccccc2)n1)N1CC[NH+]2CCC1CC2 ZINC000188826465 396387180 /nfs/dbraw/zinc/38/71/80/396387180.db2.gz GBKXJDPRTMURIJ-UHFFFAOYSA-N 1 0 312.377 0.647 10 0 DCAERO CN1C(=O)C[C@@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1=O ZINC000189381728 396394322 /nfs/dbraw/zinc/39/43/22/396394322.db2.gz HCYHJMYPOVVFNN-GFCCVEGCSA-N 1 0 303.366 0.166 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000189650724 396396955 /nfs/dbraw/zinc/39/69/55/396396955.db2.gz BWZWSMLBJUPECA-CABCVRRESA-N 1 0 310.419 0.660 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190085921 396402357 /nfs/dbraw/zinc/40/23/57/396402357.db2.gz GOEVNJAMBONFAP-JQWIXIFHSA-N 1 0 305.382 0.362 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC000191835778 396425369 /nfs/dbraw/zinc/42/53/69/396425369.db2.gz SFZKUHWRTWHOEC-OAHLLOKOSA-N 1 0 322.453 0.141 10 0 DCAERO COc1cc(Cl)c(S(=O)(=O)NCCC[NH3+])cc1OC ZINC000193229502 396446473 /nfs/dbraw/zinc/44/64/73/396446473.db2.gz WNNYVVLRDKVQPT-UHFFFAOYSA-N 1 0 308.787 0.984 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000187979425 396377049 /nfs/dbraw/zinc/37/70/49/396377049.db2.gz AWACOWBIPONHGJ-LSDHHAIUSA-N 1 0 304.394 0.103 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C2CC2)n1 ZINC000291511599 396495231 /nfs/dbraw/zinc/49/52/31/396495231.db2.gz OPXZAEZIQPQWTC-LBPRGKRZSA-N 1 0 317.393 0.543 10 0 DCAERO Cn1ncc2c1nc(N1CC[C@H](C[NH+]3CCCC3)C1)nc2N ZINC000293006329 396581601 /nfs/dbraw/zinc/58/16/01/396581601.db2.gz HVWJFYVYARBDSM-LLVKDONJSA-N 1 0 301.398 0.868 10 0 DCAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nnn1-c1ccn(C)n1 ZINC000292768717 396567552 /nfs/dbraw/zinc/56/75/52/396567552.db2.gz PYLLJZRTXJVYAV-GFCCVEGCSA-N 1 0 315.381 0.229 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000300301957 396715599 /nfs/dbraw/zinc/71/55/99/396715599.db2.gz XWXMMVQDSUHLQE-XQQFMLRXSA-N 1 0 305.444 0.414 10 0 DCAERO CC[C@@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1CCOC ZINC000301419689 396716597 /nfs/dbraw/zinc/71/65/97/396716597.db2.gz RVVAGBQAECPKIG-CYBMUJFWSA-N 1 0 306.410 0.988 10 0 DCAERO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629548412 396783141 /nfs/dbraw/zinc/78/31/41/396783141.db2.gz XIZRYWQYJPCWFN-AWEZNQCLSA-N 1 0 303.472 0.589 10 0 DCAERO O=C(CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000375465910 396752891 /nfs/dbraw/zinc/75/28/91/396752891.db2.gz RHFFPRNUJHIJBK-ZDUSSCGKSA-N 1 0 320.393 0.985 10 0 DCAERO C[C@H](Cc1ccsc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000311988632 396761209 /nfs/dbraw/zinc/76/12/09/396761209.db2.gz NZKKAKZXJBDWDQ-PWSUYJOCSA-N 1 0 304.437 0.587 10 0 DCAERO C[C@H](Cc1cccs1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000311986190 396762103 /nfs/dbraw/zinc/76/21/03/396762103.db2.gz NQCBCIBUPPODPN-GHMZBOCLSA-N 1 0 304.437 0.587 10 0 DCAERO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000629600385 396804571 /nfs/dbraw/zinc/80/45/71/396804571.db2.gz WCIWPFZPHTYAEL-CHWSQXEVSA-N 1 0 300.424 0.546 10 0 DCAERO CCc1n[nH]cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597021699 396874973 /nfs/dbraw/zinc/87/49/73/396874973.db2.gz DXQCFSFDVKAZKA-UHFFFAOYSA-N 1 0 321.425 0.645 10 0 DCAERO O=S(=O)(CCC1CC1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333191671 396919731 /nfs/dbraw/zinc/91/97/31/396919731.db2.gz AATPXGUZXSHTNY-KGLIPLIRSA-N 1 0 314.451 0.817 10 0 DCAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000376714459 396967204 /nfs/dbraw/zinc/96/72/04/396967204.db2.gz BRBNGOYFVDMWLM-XQQFMLRXSA-N 1 0 305.444 0.129 10 0 DCAERO O=C(CC[N@@H+]1CCOCC2(CC2)C1)NC(=O)NCC(F)(F)F ZINC000611815680 396933915 /nfs/dbraw/zinc/93/39/15/396933915.db2.gz XSEJQJFAPKOEHH-UHFFFAOYSA-N 1 0 323.315 0.877 10 0 DCAERO c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)n1 ZINC000376829557 396984737 /nfs/dbraw/zinc/98/47/37/396984737.db2.gz 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ZINC000408212973 397350696 /nfs/dbraw/zinc/35/06/96/397350696.db2.gz BGRMGZRZBIWPSU-OLZOCXBDSA-N 1 0 302.440 0.959 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)N(C(C)=O)C1 ZINC000408272833 397351913 /nfs/dbraw/zinc/35/19/13/397351913.db2.gz JUUOZWCJFMUMAZ-ZNMIVQPWSA-N 1 0 311.426 0.421 10 0 DCAERO CC[NH+]1CCC(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000577808778 397361892 /nfs/dbraw/zinc/36/18/92/397361892.db2.gz YASSYIFSYBZFSO-KRWDZBQOSA-N 1 0 321.421 0.447 10 0 DCAERO Cc1nc2ccnn2cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614070667 397376646 /nfs/dbraw/zinc/37/66/46/397376646.db2.gz NSLJDJOFNGZGGD-MRXNPFEDSA-N 1 0 317.393 0.566 10 0 DCAERO Cc1nccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000369155095 397433704 /nfs/dbraw/zinc/43/37/04/397433704.db2.gz KBPOUYFQEOFJJD-OAHLLOKOSA-N 1 0 303.410 0.523 10 0 DCAERO C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614178793 397393923 /nfs/dbraw/zinc/39/39/23/397393923.db2.gz DVEPNJPBRHPZPD-WIUDPPPLSA-N 1 0 315.443 0.675 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000371342430 397574095 /nfs/dbraw/zinc/57/40/95/397574095.db2.gz AIVVIQVMIGESOH-KBPBESRZSA-N 1 0 323.437 0.567 10 0 DCAERO CN(C(=O)Nc1ccc2nccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000606580692 397683899 /nfs/dbraw/zinc/68/38/99/397683899.db2.gz ANXHEGQLCMTPGP-NSHDSACASA-N 1 0 308.363 0.985 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000157178648 545850981 /nfs/dbraw/zinc/85/09/81/545850981.db2.gz JAMXJMORHVJCCA-KGLIPLIRSA-N 1 0 320.455 0.586 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)[N@H+](C)C1 ZINC000408041782 286082447 /nfs/dbraw/zinc/08/24/47/286082447.db2.gz IHIOWYJJEUSZTQ-ZRUFSTJUSA-N 1 0 310.316 0.620 10 0 DCAERO COc1cc(OC)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193402636 286241650 /nfs/dbraw/zinc/24/16/50/286241650.db2.gz HIXIEWBAFGBWTE-YGRLFVJLSA-N 1 0 314.407 0.980 10 0 DCAERO CC[NH+]1CCN(c2ccc(CNC(=O)NCCOC)cn2)CC1 ZINC000060893619 158028796 /nfs/dbraw/zinc/02/87/96/158028796.db2.gz NQUJWIPJCSTAMX-UHFFFAOYSA-N 1 0 321.425 0.669 10 0 DCAERO NC(=O)NCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000070694476 158047883 /nfs/dbraw/zinc/04/78/83/158047883.db2.gz NFWMTRGIJNUGBZ-UHFFFAOYSA-N 1 0 304.394 0.957 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075956818 158063607 /nfs/dbraw/zinc/06/36/07/158063607.db2.gz GDEMYLYQYYNDKQ-CABCVRRESA-N 1 0 315.458 0.306 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000077730203 158070084 /nfs/dbraw/zinc/07/00/84/158070084.db2.gz ADBLNEUOGPJXKC-NSHDSACASA-N 1 0 312.414 0.409 10 0 DCAERO Cc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cnn1C ZINC000107284314 158135557 /nfs/dbraw/zinc/13/55/57/158135557.db2.gz LDVQPXILEXJMGX-HNNXBMFYSA-N 1 0 319.453 0.971 10 0 DCAERO CCS(=O)(=O)NCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000109329507 158136921 /nfs/dbraw/zinc/13/69/21/158136921.db2.gz GOUJZXDSDZPYIW-CYBMUJFWSA-N 1 0 300.428 0.768 10 0 DCAERO Cc1noc(C)c1CNC(=O)NCC1CC[NH+](CCO)CC1 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CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186328925 286673981 /nfs/dbraw/zinc/67/39/81/286673981.db2.gz OLTOSMJGAOSULF-GFCCVEGCSA-N 1 0 305.444 0.306 10 0 DCAERO C[C@@H](CNC(=O)NCc1ccc(C(N)=O)cc1)N1CCOCC1 ZINC000121955312 158216715 /nfs/dbraw/zinc/21/67/15/158216715.db2.gz KRBOYHMKICJGQY-LBPRGKRZSA-N 1 0 320.393 0.305 10 0 DCAERO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[NH2+]CC1 ZINC000122825466 158224203 /nfs/dbraw/zinc/22/42/03/158224203.db2.gz FVSGDPMILTYBBF-UHFFFAOYSA-N 1 0 314.798 0.972 10 0 DCAERO CN(C)c1ncccc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000123060566 158226047 /nfs/dbraw/zinc/22/60/47/158226047.db2.gz VVZYWDZGLTWWBB-GFCCVEGCSA-N 1 0 305.382 0.568 10 0 DCAERO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000124442413 158242316 /nfs/dbraw/zinc/24/23/16/158242316.db2.gz HXHZJOJCKKQILI-HNNXBMFYSA-N 1 0 306.410 0.974 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cn1 ZINC000130417715 158294384 /nfs/dbraw/zinc/29/43/84/158294384.db2.gz DDMFOWKDXOZZKL-LLVKDONJSA-N 1 0 305.382 0.578 10 0 DCAERO COc1cc(CNC[C@@](C)(O)C[NH+](C)C)cc2c1OCCO2 ZINC000131406247 158303383 /nfs/dbraw/zinc/30/33/83/158303383.db2.gz MJEBYLOSFQNUJG-MRXNPFEDSA-N 1 0 310.394 0.869 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000134814590 158331149 /nfs/dbraw/zinc/33/11/49/158331149.db2.gz ZVAWQZWBENIPPA-RYUDHWBXSA-N 1 0 307.460 0.839 10 0 DCAERO CCn1cc(C(=O)C(=O)NC[C@H]2CN(C3CC3)CCO2)cn1 ZINC000134812587 158331270 /nfs/dbraw/zinc/33/12/70/158331270.db2.gz WEYACYFRDIWVOD-ZDUSSCGKSA-N 1 0 306.366 0.065 10 0 DCAERO Cc1nnc([C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)[nH]1 ZINC000136309251 158343069 /nfs/dbraw/zinc/34/30/69/158343069.db2.gz KBHVTCOFYORSRP-CYBMUJFWSA-N 1 0 307.398 0.745 10 0 DCAERO CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171192424 158381339 /nfs/dbraw/zinc/38/13/39/158381339.db2.gz AFAFHVIXKSKFJQ-CHWSQXEVSA-N 1 0 311.451 0.995 10 0 DCAERO C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCS1 ZINC000171688725 158385460 /nfs/dbraw/zinc/38/54/60/158385460.db2.gz RVWIVHLIODCDRX-LBPRGKRZSA-N 1 0 311.451 0.505 10 0 DCAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)C[NH+]1CCCC1 ZINC000190340692 158559640 /nfs/dbraw/zinc/55/96/40/158559640.db2.gz RFEOWTDBBJLDEN-GFCCVEGCSA-N 1 0 308.426 0.638 10 0 DCAERO COC(=O)[C@@H](C(OC)OC)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193059101 158580358 /nfs/dbraw/zinc/58/03/58/158580358.db2.gz KUKWAJYKTFWNQJ-KGLIPLIRSA-N 1 0 314.426 0.955 10 0 DCAERO O=C(C[C@]1(C(=O)Nc2cn[nH]c2)CC[NH2+]C1)Nc1cn[nH]c1 ZINC000261829283 158743432 /nfs/dbraw/zinc/74/34/32/158743432.db2.gz OEWLWVNLNVQEAP-CYBMUJFWSA-N 1 0 303.326 0.080 10 0 DCAERO CNC(=O)c1ccc(CN(C)C(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261879169 158748737 /nfs/dbraw/zinc/74/87/37/158748737.db2.gz MFWNUMOPHKOMJW-UHFFFAOYSA-N 1 0 319.405 0.760 10 0 DCAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)CC2 ZINC000261892750 158751198 /nfs/dbraw/zinc/75/11/98/158751198.db2.gz VTFBMFAIGJWVHZ-NFAWXSAZSA-N 1 0 306.410 0.944 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1Cc1ccccc1 ZINC000262080164 158770558 /nfs/dbraw/zinc/77/05/58/158770558.db2.gz CIARYOZCTYIMHI-ZBFHGGJFSA-N 1 0 314.389 0.550 10 0 DCAERO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262220327 158786579 /nfs/dbraw/zinc/78/65/79/158786579.db2.gz JLFVTKNTIANUQL-XQQFMLRXSA-N 1 0 311.426 0.110 10 0 DCAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000262545990 158823287 /nfs/dbraw/zinc/82/32/87/158823287.db2.gz SBOKBFCDELMTGK-COPLHBTASA-N 1 0 323.343 0.663 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000262911886 158848413 /nfs/dbraw/zinc/84/84/13/158848413.db2.gz YNIXSHYPQUXJHA-YPMHNXCESA-N 1 0 302.440 0.848 10 0 DCAERO Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)CC1 ZINC000328732844 159025001 /nfs/dbraw/zinc/02/50/01/159025001.db2.gz XSCXKWMVNGKRNC-UHFFFAOYSA-N 1 0 304.398 0.336 10 0 DCAERO CC(C)C1([NH2+][C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328800789 159030489 /nfs/dbraw/zinc/03/04/89/159030489.db2.gz YTGLUUXTDCOTNG-NWDGAFQWSA-N 1 0 302.440 0.799 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)O1 ZINC000329287343 159080149 /nfs/dbraw/zinc/08/01/49/159080149.db2.gz PCDVKWQKBLQOHO-KFWWJZLASA-N 1 0 323.437 0.709 10 0 DCAERO Cn1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(=O)c2ccccc21 ZINC000329502561 159098093 /nfs/dbraw/zinc/09/80/93/159098093.db2.gz YWGUODBQYZSCMM-LBPRGKRZSA-N 1 0 312.373 0.854 10 0 DCAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cnnn2C)CC(=O)N1C ZINC000329862566 159124442 /nfs/dbraw/zinc/12/44/42/159124442.db2.gz YPYRFPXVFUSXTD-IUODEOHRSA-N 1 0 317.397 0.227 10 0 DCAERO O=C1CCCN1[C@@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000330055670 159138633 /nfs/dbraw/zinc/13/86/33/159138633.db2.gz USGXHRCCYJGUCW-CYBMUJFWSA-N 1 0 315.439 0.109 10 0 DCAERO O=C(C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1)N1CCOCC1 ZINC000330102681 159141838 /nfs/dbraw/zinc/14/18/38/159141838.db2.gz FVAPBXFMWCPZOS-OAHLLOKOSA-N 1 0 321.421 0.321 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000367414639 159336530 /nfs/dbraw/zinc/33/65/30/159336530.db2.gz GAKGNFHYLDDNJO-IFXMJZAHSA-N 1 0 320.437 0.968 10 0 DCAERO O=C(/C=C/c1cncc(O)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368018394 159370967 /nfs/dbraw/zinc/37/09/67/159370967.db2.gz LKSWWKVEQZCPGS-PRXHZCDDSA-N 1 0 303.362 0.780 10 0 DCAERO C1=CC[NH+]([C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)C1 ZINC000368311315 159386716 /nfs/dbraw/zinc/38/67/16/159386716.db2.gz YNBFIKKCQJJIQI-CQSZACIVSA-N 1 0 301.394 0.764 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000407987195 160003328 /nfs/dbraw/zinc/00/33/28/160003328.db2.gz XBLBESXCSKNDHC-LBPRGKRZSA-N 1 0 311.430 0.430 10 0 DCAERO CNC(=O)NC1CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000407987434 160003509 /nfs/dbraw/zinc/00/35/09/160003509.db2.gz QCBNXBALYJSZIB-NWDGAFQWSA-N 1 0 311.430 0.430 10 0 DCAERO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000408023176 160013943 /nfs/dbraw/zinc/01/39/43/160013943.db2.gz QKFFKXOJAWUAEY-STQMWFEESA-N 1 0 317.455 0.211 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)N2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000408028645 160015571 /nfs/dbraw/zinc/01/55/71/160015571.db2.gz SXFZHGCWPSKHJR-IHRRRGAJSA-N 1 0 319.471 0.614 10 0 DCAERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408053302 160024243 /nfs/dbraw/zinc/02/42/43/160024243.db2.gz OEBSDIDCJQHWPM-ZBFHGGJFSA-N 1 0 311.426 0.160 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000408053440 160024277 /nfs/dbraw/zinc/02/42/77/160024277.db2.gz XTKRODIGORQDIW-MRXNPFEDSA-N 1 0 311.426 0.160 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000408052816 160024492 /nfs/dbraw/zinc/02/44/92/160024492.db2.gz WBFIQTKGLGXUPJ-INIZCTEOSA-N 1 0 311.426 0.208 10 0 DCAERO C[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H](C)C[N@@H+]1C ZINC000408068341 160027069 /nfs/dbraw/zinc/02/70/69/160027069.db2.gz HRTGINZAPLNLPG-OLZOCXBDSA-N 1 0 314.389 0.948 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408135278 160045326 /nfs/dbraw/zinc/04/53/26/160045326.db2.gz XRXQYNDQRYVVHD-GFCCVEGCSA-N 1 0 310.398 0.167 10 0 DCAERO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CCO1 ZINC000408143952 160046969 /nfs/dbraw/zinc/04/69/69/160046969.db2.gz FCQKSRBIFXWCGM-CHWSQXEVSA-N 1 0 309.410 0.224 10 0 DCAERO COC(=O)C1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000408148875 160048181 /nfs/dbraw/zinc/04/81/81/160048181.db2.gz DVVFJGYQFIMBJW-ZFWWWQNUSA-N 1 0 323.437 0.567 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408209924 160061015 /nfs/dbraw/zinc/06/10/15/160061015.db2.gz FKBPCBPLDKFQTA-CBBWQLFWSA-N 1 0 313.442 0.898 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)nc2n1 ZINC000408223045 160062907 /nfs/dbraw/zinc/06/29/07/160062907.db2.gz CJWZCPOEKZEXCR-YPMHNXCESA-N 1 0 316.409 0.883 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000408237225 160066110 /nfs/dbraw/zinc/06/61/10/160066110.db2.gz MUGFSYSGFZMMBT-BFHYXJOUSA-N 1 0 319.471 0.757 10 0 DCAERO CN(C)c1nc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc(=O)[nH]1 ZINC000408241790 160067566 /nfs/dbraw/zinc/06/75/66/160067566.db2.gz MIOHZCLAYLYCPQ-UHFFFAOYSA-N 1 0 319.409 0.949 10 0 DCAERO Cc1nc2cncc(N3CC[NH+](C[C@H]4CCCOC4)CC3)n2n1 ZINC000408401665 160101297 /nfs/dbraw/zinc/10/12/97/160101297.db2.gz GCKISUMPXQYJGA-CQSZACIVSA-N 1 0 316.409 0.981 10 0 DCAERO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCO2)cn1 ZINC000408405059 160102145 /nfs/dbraw/zinc/10/21/45/160102145.db2.gz HQQFFIOKKSQDTA-ZFWWWQNUSA-N 1 0 319.409 0.740 10 0 DCAERO Cc1oc(C(=O)N2CCN(C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000408445892 160109069 /nfs/dbraw/zinc/10/90/69/160109069.db2.gz CZVYEXRVJOBABA-QMMMGPOBSA-N 1 0 301.368 0.012 10 0 DCAERO COCCN(C)S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000247478154 292430745 /nfs/dbraw/zinc/43/07/45/292430745.db2.gz ITCJVERMGVVHEF-CQSZACIVSA-N 1 0 319.471 0.760 10 0 DCAERO Cn1cnc2cc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)ccc21 ZINC000408455859 160111799 /nfs/dbraw/zinc/11/17/99/160111799.db2.gz ZWHVATOINJZMKO-LLVKDONJSA-N 1 0 308.407 0.898 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH+](CC2CC2)CC1 ZINC000080051668 286925911 /nfs/dbraw/zinc/92/59/11/286925911.db2.gz LRDFLDKZPUWAKR-CYBMUJFWSA-N 1 0 322.453 0.140 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000129719986 286990127 /nfs/dbraw/zinc/99/01/27/286990127.db2.gz NWUUIFYXYAGKKN-CABCVRRESA-N 1 0 303.406 0.802 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)NCCN2CCOCC2)CC1 ZINC000136669547 287026793 /nfs/dbraw/zinc/02/67/93/287026793.db2.gz WEUGKYKMYIQUAZ-UHFFFAOYSA-N 1 0 312.458 0.738 10 0 DCAERO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152713825 287043866 /nfs/dbraw/zinc/04/38/66/287043866.db2.gz MQZXYCHZGVGNOW-WFASDCNBSA-N 1 0 316.446 0.293 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000177367472 287054613 /nfs/dbraw/zinc/05/46/13/287054613.db2.gz NCWWBTUMDPIYFV-GJZGRUSLSA-N 1 0 312.458 0.833 10 0 DCAERO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237265315 287066384 /nfs/dbraw/zinc/06/63/84/287066384.db2.gz XTSZSNCEYWQEJI-RDBSUJKOSA-N 1 0 311.426 0.470 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000246070670 287075950 /nfs/dbraw/zinc/07/59/50/287075950.db2.gz CRMWQYRFLLNJEL-YPMHNXCESA-N 1 0 319.409 0.822 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)[C@@H](C)CO1 ZINC000246085769 287076290 /nfs/dbraw/zinc/07/62/90/287076290.db2.gz GFAUUQMIFQJCPJ-IGQOVBAYSA-N 1 0 319.471 0.612 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000246276187 287080442 /nfs/dbraw/zinc/08/04/42/287080442.db2.gz JNNOKPXDQNVASC-LPWJVIDDSA-N 1 0 308.426 0.955 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000246515280 287084794 /nfs/dbraw/zinc/08/47/94/287084794.db2.gz UXPKJDKFVYNWFF-REWJHTLYSA-N 1 0 319.471 0.803 10 0 DCAERO 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/nfs/dbraw/zinc/16/32/10/262163210.db2.gz CUFXBWIQWUQLEW-UHFFFAOYSA-N 1 0 302.371 0.608 10 0 DCAERO CC(C)(CNC(=O)N1CC[C@H](NC(N)=O)C1)C[NH+]1CCCC1 ZINC000358743000 271066789 /nfs/dbraw/zinc/06/67/89/271066789.db2.gz LOTKJSBVDPIIBS-LBPRGKRZSA-N 1 0 311.430 0.561 10 0 DCAERO Cn1c(C[NH2+]C[C@H](O)Cn2ccnn2)nc2cc(Cl)ccc21 ZINC000459691294 272003759 /nfs/dbraw/zinc/00/37/59/272003759.db2.gz GGQASHGTIQBFAZ-NSHDSACASA-N 1 0 320.784 0.969 10 0 DCAERO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000519595884 272505360 /nfs/dbraw/zinc/50/53/60/272505360.db2.gz BPVIHUAIQYCGSZ-VIFPVBQESA-N 1 0 302.421 0.767 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000521247053 272530992 /nfs/dbraw/zinc/53/09/92/272530992.db2.gz AJGPTKZVOYQPQW-UHFFFAOYSA-N 1 0 309.418 0.474 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000247646486 276157677 /nfs/dbraw/zinc/15/76/77/276157677.db2.gz VGEDIMDTUVTFPV-MELADBBJSA-N 1 0 319.471 0.804 10 0 DCAERO 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CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171048301 279295027 /nfs/dbraw/zinc/29/50/27/279295027.db2.gz GMINGVYCGNMMKN-CHWSQXEVSA-N 1 0 306.414 0.685 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C12CCOCC2 ZINC000333592621 279822109 /nfs/dbraw/zinc/82/21/09/279822109.db2.gz PJAAYAAXEWNSDH-YNEHKIRRSA-N 1 0 310.394 0.698 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000548716427 288169793 /nfs/dbraw/zinc/16/97/93/288169793.db2.gz PIUUFQHRVWIBQH-MRRJBJDNSA-N 1 0 319.405 0.198 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000078484529 279875175 /nfs/dbraw/zinc/87/51/75/279875175.db2.gz LJYXLEOKCTYVCT-KBPBESRZSA-N 1 0 319.471 0.806 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000550173088 288212586 /nfs/dbraw/zinc/21/25/86/288212586.db2.gz UTMVHKFISJGHMP-UHFFFAOYSA-N 1 0 323.422 0.422 10 0 DCAERO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)C1CC1 ZINC000553089046 288286556 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C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CNC(=O)C[NH3+] ZINC000248998344 288388870 /nfs/dbraw/zinc/38/88/70/288388870.db2.gz MNMFVRJYQVUMIW-XHBSWPGZSA-N 1 0 305.378 0.438 10 0 DCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333483704 289046060 /nfs/dbraw/zinc/04/60/60/289046060.db2.gz CJYJTOPWOBTYBI-KBUPBQIOSA-N 1 0 310.442 0.632 10 0 DCAERO C[NH+](C)CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000130718659 289162450 /nfs/dbraw/zinc/16/24/50/289162450.db2.gz BALBHAJCMPARRJ-AWEZNQCLSA-N 1 0 304.394 0.754 10 0 DCAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121008 289211144 /nfs/dbraw/zinc/21/11/44/289211144.db2.gz BNAGSKKFKDTOJT-GFCCVEGCSA-N 1 0 305.444 0.368 10 0 DCAERO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000157930252 289762779 /nfs/dbraw/zinc/76/27/79/289762779.db2.gz RPYVKXMNIIVIPT-OIBJUYFYSA-N 1 0 302.783 0.974 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000263256299 290061741 /nfs/dbraw/zinc/06/17/41/290061741.db2.gz QNMXWXQUIARXAE-GFCCVEGCSA-N 1 0 322.390 0.716 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H]2C1 ZINC000408058518 290166824 /nfs/dbraw/zinc/16/68/24/290166824.db2.gz BKMSSENWJZPUKS-SRVKXCTJSA-N 1 0 312.414 0.001 10 0 DCAERO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237931716 295164283 /nfs/dbraw/zinc/16/42/83/295164283.db2.gz NYAVYXATMLUTDF-HUUCEWRRSA-N 1 0 313.401 0.815 10 0 DCAERO CS(=O)(=O)C1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000262562228 295474900 /nfs/dbraw/zinc/47/49/00/295474900.db2.gz QXLAIEMSUQEERN-BETUJISGSA-N 1 0 314.451 0.802 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000193396799 300001471 /nfs/dbraw/zinc/00/14/71/300001471.db2.gz RLYYYTVRFFTZKK-HZMBPMFUSA-N 1 0 323.418 0.249 10 0 DCAERO Cc1ccc([C@H](C[NH2+][C@@H]2CCNC2=O)N2CCOCC2)s1 ZINC000179068856 301799085 /nfs/dbraw/zinc/79/90/85/301799085.db2.gz LIYXHGKIJLAXDA-OLZOCXBDSA-N 1 0 309.435 0.908 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000122024526 303784917 /nfs/dbraw/zinc/78/49/17/303784917.db2.gz LYEBUSUYRDKEPM-UONOGXRCSA-N 1 0 321.425 0.413 10 0 DCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000332827297 332879781 /nfs/dbraw/zinc/87/97/81/332879781.db2.gz LPDNBCNTATZYGJ-WCQYABFASA-N 1 0 307.398 0.506 10 0 DCAERO COC[C@H](C)C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000188154121 333038050 /nfs/dbraw/zinc/03/80/50/333038050.db2.gz HVWDMVIUSQLCCK-MNOVXSKESA-N 1 0 307.437 0.755 10 0 DCAERO CC(C)C[C@H](CNC(=O)CNC(=O)c1cccnc1)[NH+](C)C ZINC000129705912 519349472 /nfs/dbraw/zinc/34/94/72/519349472.db2.gz WINXXDNVHKQXPC-CQSZACIVSA-N 1 0 306.410 0.904 10 0 DCAERO NC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000299749650 534421237 /nfs/dbraw/zinc/42/12/37/534421237.db2.gz LDKMUCSOOGQVEX-KGLIPLIRSA-N 1 0 312.797 0.932 10 0 DCAERO CC(C)Cn1ncc2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262296837 519538517 /nfs/dbraw/zinc/53/85/17/519538517.db2.gz PEVUGVHFKVNFCE-KGLIPLIRSA-N 1 0 317.393 0.397 10 0 DCAERO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1=O ZINC000246590995 519667084 /nfs/dbraw/zinc/66/70/84/519667084.db2.gz IMTALCAXQOVSRI-VOAKCMCISA-N 1 0 307.394 0.559 10 0 DCAERO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H](C)[NH3+] ZINC000157128215 520359473 /nfs/dbraw/zinc/35/94/73/520359473.db2.gz BYVLAXLNVUPAOJ-JTQLQIEISA-N 1 0 306.366 0.779 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000236945333 520720737 /nfs/dbraw/zinc/72/07/37/520720737.db2.gz LHTBFVGWRGOEKX-SNVBAGLBSA-N 1 0 319.452 0.612 10 0 DCAERO CCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000236844543 521109187 /nfs/dbraw/zinc/10/91/87/521109187.db2.gz VBXBCINPOZNTMF-ZDUSSCGKSA-N 1 0 316.365 0.449 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000156208809 523393854 /nfs/dbraw/zinc/39/38/54/523393854.db2.gz SSZFJPCBKDEQFF-KBPBESRZSA-N 1 0 308.382 0.637 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000155537104 524566246 /nfs/dbraw/zinc/56/62/46/524566246.db2.gz ISBSMYPWXVJQNK-STQMWFEESA-N 1 0 314.389 0.948 10 0 DCAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933023 525160667 /nfs/dbraw/zinc/16/06/67/525160667.db2.gz PDUSGZWWLDOPAF-HOCLYGCPSA-N 1 0 305.422 0.920 10 0 DCAERO O=C(CN1CCOCC1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000364819634 526790478 /nfs/dbraw/zinc/79/04/78/526790478.db2.gz WOOZLWWUADPABX-AWEZNQCLSA-N 1 0 309.410 0.322 10 0 DCAERO O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262553372 527370579 /nfs/dbraw/zinc/37/05/79/527370579.db2.gz UIRCJRHYLLXSLA-WPRPVWTQSA-N 1 0 320.317 0.344 10 0 DCAERO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180130907 529008142 /nfs/dbraw/zinc/00/81/42/529008142.db2.gz APIMIHVTEHCQMC-CMPLNLGQSA-N 1 0 302.396 0.382 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@](C)(O)Cc3ccccc3)[C@H]2C1 ZINC000285005415 536469117 /nfs/dbraw/zinc/46/91/17/536469117.db2.gz NLXPUOWKSOOBBR-BQFCYCMXSA-N 1 0 318.417 0.912 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000076669695 545676160 /nfs/dbraw/zinc/67/61/60/545676160.db2.gz XARPUWZGWRAJPO-KBPBESRZSA-N 1 0 319.471 0.664 10 0 DCAERO NC(=O)C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)C1CCCCC1 ZINC000182062199 545903798 /nfs/dbraw/zinc/90/37/98/545903798.db2.gz IFVAADLOQLPZII-KBPBESRZSA-N 1 0 311.426 0.384 10 0 DCAERO NC(=O)C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C1CCCCC1 ZINC000182062216 545904731 /nfs/dbraw/zinc/90/47/31/545904731.db2.gz IFVAADLOQLPZII-ZIAGYGMSSA-N 1 0 311.426 0.384 10 0 DCAERO CC[C@H]1CN(C(=O)NCc2ccnc(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000184922490 545912068 /nfs/dbraw/zinc/91/20/68/545912068.db2.gz LBMFRGMKVDGEDI-DOMZBBRYSA-N 1 0 321.425 0.772 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236790191 545952014 /nfs/dbraw/zinc/95/20/14/545952014.db2.gz MVEULBCZXOUOFS-LBPRGKRZSA-N 1 0 303.428 0.059 10 0 DCAERO C[NH2+]C1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 ZINC000237117843 545953252 /nfs/dbraw/zinc/95/32/52/545953252.db2.gz BAAPPFMJVXIDMJ-UHFFFAOYSA-N 1 0 314.393 0.859 10 0 DCAERO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1S(N)(=O)=O ZINC000248638975 545969259 /nfs/dbraw/zinc/96/92/59/545969259.db2.gz QWPLGSIKXOCBLE-AVGNSLFASA-N 1 0 323.418 0.452 10 0 DCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000261674686 545977125 /nfs/dbraw/zinc/97/71/25/545977125.db2.gz GICGMGJIGDFFMW-SOUVJXGZSA-N 1 0 323.437 0.601 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cncc(Br)c1 ZINC000262080580 545978876 /nfs/dbraw/zinc/97/88/76/545978876.db2.gz CKGLKELLNHOBLY-SCZZXKLOSA-N 1 0 300.156 0.154 10 0 DCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(OC(F)F)c1 ZINC000262102480 545979630 /nfs/dbraw/zinc/97/96/30/545979630.db2.gz IZIQPGLHXLRAIT-PWSUYJOCSA-N 1 0 302.321 0.967 10 0 DCAERO CCc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccc1 ZINC000262212253 545980163 /nfs/dbraw/zinc/98/01/63/545980163.db2.gz IWGRGPWLHFBJNH-WBMJQRKESA-N 1 0 314.389 0.745 10 0 DCAERO COc1ccc2c(CC(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)coc2c1 ZINC000262230509 545980951 /nfs/dbraw/zinc/98/09/51/545980951.db2.gz KGJJCYWWFOTEOX-FZMZJTMJSA-N 1 0 304.346 0.680 10 0 DCAERO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262223416 545981344 /nfs/dbraw/zinc/98/13/44/545981344.db2.gz JQWGEZUIIFDXIQ-PWSUYJOCSA-N 1 0 305.334 0.482 10 0 DCAERO CSc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262281388 545982577 /nfs/dbraw/zinc/98/25/77/545982577.db2.gz NXUILFSLVBORIH-UHIISALHSA-N 1 0 310.419 0.872 10 0 DCAERO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262294628 545983031 /nfs/dbraw/zinc/98/30/31/545983031.db2.gz OYHAXBOKWSLORP-CHWSQXEVSA-N 1 0 301.346 0.960 10 0 DCAERO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C)cc1 ZINC000262334616 545983945 /nfs/dbraw/zinc/98/39/45/545983945.db2.gz SLWNIHVZNHRTIO-XHSDSOJGSA-N 1 0 319.405 0.259 10 0 DCAERO COc1cccc(CO[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262346637 545984669 /nfs/dbraw/zinc/98/46/69/545984669.db2.gz UDWOCGDLNFEPKI-OSAQELSMSA-N 1 0 308.378 0.297 10 0 DCAERO COc1ccc(-n2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000262388012 545985106 /nfs/dbraw/zinc/98/51/06/545985106.db2.gz XPQFQORNBDHVKJ-NHYWBVRUSA-N 1 0 316.361 0.191 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(NC(=O)C2CC2)c1 ZINC000262397178 545985259 /nfs/dbraw/zinc/98/52/59/545985259.db2.gz YJSZCKNTURIDQG-OCCSQVGLSA-N 1 0 303.362 0.345 10 0 DCAERO COc1ccccc1CC(C)(C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262412009 545985584 /nfs/dbraw/zinc/98/55/84/545985584.db2.gz ZHDVECOGVRZIMX-KBPBESRZSA-N 1 0 306.406 0.960 10 0 DCAERO CC[NH+]1CCN(CCNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333098468 546071808 /nfs/dbraw/zinc/07/18/08/546071808.db2.gz CACJZEWZRQAYRB-ILXRZTDVSA-N 1 0 315.483 0.732 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333579126 546085447 /nfs/dbraw/zinc/08/54/47/546085447.db2.gz NPRHMNHUKLBJCR-SCRDCRAPSA-N 1 0 306.410 0.778 10 0 DCAERO Cc1nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)sc1S(N)(=O)=O ZINC000380472233 546215769 /nfs/dbraw/zinc/21/57/69/546215769.db2.gz RIRRWMOYFDFRRE-CABZTGNLSA-N 1 0 316.452 0.664 10 0 DCAERO CCC[C@H](C)C(=O)NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073666 547659260 /nfs/dbraw/zinc/65/92/60/547659260.db2.gz SIVUESGIZXBXAQ-SGMGOOAPSA-N 1 0 302.440 0.706 10 0 DCAERO O=c1c2cnn(C3C[NH2+]C3)c2[nH]cc1I ZINC000725259229 548749374 /nfs/dbraw/zinc/74/93/74/548749374.db2.gz QZLQVPOXMHGKCX-UHFFFAOYSA-N 1 0 316.102 0.886 10 0 DCAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089755324 1175343377 /nfs/dbraw/zinc/34/33/77/1175343377.db2.gz MUCJATWUIQJHOX-CABZTGNLSA-N 1 0 310.375 0.546 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000717329247 667625838 /nfs/dbraw/zinc/62/58/38/667625838.db2.gz JURIWUDHGCJNJM-GDLCADMTSA-N 1 0 303.786 0.549 10 0 DCAERO COC(=O)C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1cccs1 ZINC000722294233 660687895 /nfs/dbraw/zinc/68/78/95/660687895.db2.gz 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CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000126660939 284800092 /nfs/dbraw/zinc/80/00/92/284800092.db2.gz CWZRCXASILXGAV-AGIUHOORSA-N 1 0 319.471 0.934 10 0 DCAERO CC1CC[NH+](CCNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112743108 194517046 /nfs/dbraw/zinc/51/70/46/194517046.db2.gz SIGCMYHYEVLCAV-CYBMUJFWSA-N 1 0 306.414 0.624 10 0 DCAERO C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)(C)C[NH+](C)C ZINC000085291028 252587321 /nfs/dbraw/zinc/58/73/21/252587321.db2.gz UDXSCOSXHNRVOZ-SNVBAGLBSA-N 1 0 312.414 0.409 10 0 DCAERO CO[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1OC ZINC000333506424 252731234 /nfs/dbraw/zinc/73/12/34/252731234.db2.gz DNAZIKOLHCFJID-HUUCEWRRSA-N 1 0 311.426 0.916 10 0 DCAERO O=C(NC[C@@H]1CCCC[C@@H]1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333356937 252711385 /nfs/dbraw/zinc/71/13/85/252711385.db2.gz CDXZMHLUZNIOHL-SCRDCRAPSA-N 1 0 307.398 0.484 10 0 DCAERO O=C(NC[C@@H]1CC[NH2+]C1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000333655848 252749132 /nfs/dbraw/zinc/74/91/32/252749132.db2.gz KQOHCJWLFISWQD-SECBINFHSA-N 1 0 308.304 0.012 10 0 DCAERO CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000333718099 252755487 /nfs/dbraw/zinc/75/54/87/252755487.db2.gz UCMLPUSRRQXNFB-RRFJBIMHSA-N 1 0 316.405 0.662 10 0 DCAERO O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3CCCC[NH2+]C3)cc21 ZINC000333674926 296378115 /nfs/dbraw/zinc/37/81/15/296378115.db2.gz NTMGRTOTDCMOLB-GFCCVEGCSA-N 1 0 323.418 0.393 10 0 DCAERO C[NH+](C)CCN1CCO[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000247969984 257113200 /nfs/dbraw/zinc/11/32/00/257113200.db2.gz HJXFFIRCOYVESQ-LSDHHAIUSA-N 1 0 304.394 0.168 10 0 DCAERO COCC[N@@H+]1C[C@@H]2OC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC000247845437 257116449 /nfs/dbraw/zinc/11/64/49/257116449.db2.gz MMYGGXNRNQHHFF-SNPRPXQTSA-N 1 0 308.378 0.879 10 0 DCAERO COCC(=O)NC[C@@]12COC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC000247822261 257117403 /nfs/dbraw/zinc/11/74/03/257117403.db2.gz INTXHMCBBBSGDR-FUHWJXTLSA-N 1 0 318.417 0.940 10 0 DCAERO 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C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(=O)N(C)C ZINC000194006335 395785298 /nfs/dbraw/zinc/78/52/98/395785298.db2.gz DRGFJURNZNVESG-ZFWWWQNUSA-N 1 0 320.437 0.935 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194124995 395788734 /nfs/dbraw/zinc/78/87/34/395788734.db2.gz WCPHOIYIOMQZSH-YIYPIFLZSA-N 1 0 314.451 0.958 10 0 DCAERO CC(=O)N1CCC2(CC[NH+](Cc3ncc[nH]3)CC2)[C@@H](CO)C1 ZINC000097696368 395760050 /nfs/dbraw/zinc/76/00/50/395760050.db2.gz PCWPHEBJVWOWMG-CQSZACIVSA-N 1 0 306.410 0.853 10 0 DCAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CSc1nnc(N)s1)C2 ZINC000100243832 395762805 /nfs/dbraw/zinc/76/28/05/395762805.db2.gz UDRFOWJFGHTQTC-PSVAKVPMSA-N 1 0 313.452 0.954 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000110992218 395802610 /nfs/dbraw/zinc/80/26/10/395802610.db2.gz SFZHDXOEIHAWHX-LLVKDONJSA-N 1 0 310.398 0.307 10 0 DCAERO CC(C)n1nnnc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231386 395803679 /nfs/dbraw/zinc/80/36/79/395803679.db2.gz FPHAJXFPVOQCFM-HNNXBMFYSA-N 1 0 321.473 0.856 10 0 DCAERO COCCNC(=O)c1ccc(N2CCO[C@H](C[NH+](C)C)C2)nc1 ZINC000112557741 395819634 /nfs/dbraw/zinc/81/96/34/395819634.db2.gz SKXNZJZRQVZLEH-CQSZACIVSA-N 1 0 322.409 0.225 10 0 DCAERO CC(C)[C@H](CNC(=O)NCC1(C)COC1)[NH+]1CCN(C)CC1 ZINC000112742096 395824136 /nfs/dbraw/zinc/82/41/36/395824136.db2.gz CYTYPVAXACTLPO-AWEZNQCLSA-N 1 0 312.458 0.594 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195306028 395824879 /nfs/dbraw/zinc/82/48/79/395824879.db2.gz YUAPKOYCRFKWLD-DTORHVGOSA-N 1 0 304.803 0.222 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000195331198 395825507 /nfs/dbraw/zinc/82/55/07/395825507.db2.gz IPAYJWCGZFLZGZ-JTQLQIEISA-N 1 0 313.379 0.108 10 0 DCAERO O=C(CN1CCC[C@H](c2nccs2)C1)N1CCNC(=O)C1 ZINC000195349563 395825682 /nfs/dbraw/zinc/82/56/82/395825682.db2.gz LWFBMADULUCBAJ-NSHDSACASA-N 1 0 308.407 0.281 10 0 DCAERO 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CN1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245942071 395939613 /nfs/dbraw/zinc/93/96/13/395939613.db2.gz JXYCFUBGSSPIDR-KGLIPLIRSA-N 1 0 307.398 0.977 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCOCC2)[C@@H](C)C1 ZINC000246038657 395940078 /nfs/dbraw/zinc/94/00/78/395940078.db2.gz OOMWSMQWMBPCNG-GJZGRUSLSA-N 1 0 312.458 0.690 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000135605795 395941146 /nfs/dbraw/zinc/94/11/46/395941146.db2.gz XWIWKTOGYUQYDS-UHFFFAOYSA-N 1 0 303.410 0.857 10 0 DCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246147199 395942580 /nfs/dbraw/zinc/94/25/80/395942580.db2.gz CLJMNMHZZVFGDO-KFWWJZLASA-N 1 0 309.410 0.836 10 0 DCAERO C[C@@H]1C[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000246191622 395943496 /nfs/dbraw/zinc/94/34/96/395943496.db2.gz IALKDQTUALAAQJ-FDYHWXHSSA-N 1 0 317.455 0.555 10 0 DCAERO C[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246322728 395947375 /nfs/dbraw/zinc/94/73/75/395947375.db2.gz DDJBNFJSXIXZJS-NWDGAFQWSA-N 1 0 323.359 0.660 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)C(C)C)C1 ZINC000246954700 395961630 /nfs/dbraw/zinc/96/16/30/395961630.db2.gz FUTARDIPTRLPPH-ZIAGYGMSSA-N 1 0 301.431 0.659 10 0 DCAERO CCCCOCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247209651 395968532 /nfs/dbraw/zinc/96/85/32/395968532.db2.gz PPCPZPOGHGPMGO-GJZGRUSLSA-N 1 0 315.458 0.306 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000247560215 395976537 /nfs/dbraw/zinc/97/65/37/395976537.db2.gz ZYUGBCSHPLEXQT-IMJJTQAJSA-N 1 0 322.453 0.282 10 0 DCAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000248358043 395984345 /nfs/dbraw/zinc/98/43/45/395984345.db2.gz QGLLXGGCIAWCAU-AWEZNQCLSA-N 1 0 308.426 0.925 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@H](COC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445627 395988103 /nfs/dbraw/zinc/98/81/03/395988103.db2.gz CDKFBOIAHTUWSA-NWANDNLSSA-N 1 0 313.442 0.898 10 0 DCAERO 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/nfs/dbraw/zinc/06/87/41/396068741.db2.gz RUHZIOKWMSRTDW-ZDUSSCGKSA-N 1 0 317.393 0.358 10 0 DCAERO CN1C(=O)C[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@H]1c1cccnc1 ZINC000261829991 396070221 /nfs/dbraw/zinc/07/02/21/396070221.db2.gz IGHADCGKOQXJNE-LXZKKBNFSA-N 1 0 316.405 0.798 10 0 DCAERO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCCS(=O)(=O)NC)CC2 ZINC000152721204 396015240 /nfs/dbraw/zinc/01/52/40/396015240.db2.gz NFMVXALJGHHLCC-OLZOCXBDSA-N 1 0 320.455 0.178 10 0 DCAERO CCn1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1=O ZINC000252480999 396020044 /nfs/dbraw/zinc/02/00/44/396020044.db2.gz HJCNFANZLKDLAG-OLZOCXBDSA-N 1 0 322.409 0.787 10 0 DCAERO [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CCOCC1 ZINC000261991125 396087731 /nfs/dbraw/zinc/08/77/31/396087731.db2.gz MTLZTTBMDVNPPE-KGLIPLIRSA-N 1 0 319.409 0.316 10 0 DCAERO [NH3+][C@H](C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CCOCC1 ZINC000262015534 396089898 /nfs/dbraw/zinc/08/98/98/396089898.db2.gz OLSPRCBUWGUTHG-CJNGLKHVSA-N 1 0 323.437 0.790 10 0 DCAERO C[C@@]1(C[NH3+])CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000262035001 396092295 /nfs/dbraw/zinc/09/22/95/396092295.db2.gz PRLFOMAHEKTJTH-INIZCTEOSA-N 1 0 316.361 0.299 10 0 DCAERO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262044893 396093328 /nfs/dbraw/zinc/09/33/28/396093328.db2.gz YZJSXACWGLOGOL-MGPQQGTHSA-N 1 0 319.471 0.061 10 0 DCAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262064036 396095201 /nfs/dbraw/zinc/09/52/01/396095201.db2.gz BCVDSSCTLAQMIS-XWIASGKRSA-N 1 0 321.402 0.186 10 0 DCAERO CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000170828074 396098420 /nfs/dbraw/zinc/09/84/20/396098420.db2.gz HUXVKZTXYNIYDC-GJZGRUSLSA-N 1 0 312.458 0.689 10 0 DCAERO COc1cccc(C(=O)NCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170883188 396100203 /nfs/dbraw/zinc/10/02/03/396100203.db2.gz GSWPFVJQEAGYBS-CYBMUJFWSA-N 1 0 305.378 0.588 10 0 DCAERO O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262135424 396102881 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/nfs/dbraw/zinc/08/35/54/396083554.db2.gz WEXBQOKYXDVYDJ-CXUUEIJPSA-N 1 0 323.437 0.646 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3cncn3)c2)n1 ZINC000263206540 396206242 /nfs/dbraw/zinc/20/62/42/396206242.db2.gz JUDABSPNIWELMQ-CYBMUJFWSA-N 1 0 311.349 0.893 10 0 DCAERO COC(=O)N1CC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000178744994 396207146 /nfs/dbraw/zinc/20/71/46/396207146.db2.gz WVNAELVZRVTAFZ-AWEZNQCLSA-N 1 0 305.378 0.726 10 0 DCAERO Cn1cc(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000262495075 396146859 /nfs/dbraw/zinc/14/68/59/396146859.db2.gz LHOOVZQLIAHBRF-WOSRLPQWSA-N 1 0 306.410 0.611 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2S(C)(=O)=O)n1 ZINC000263251836 396209611 /nfs/dbraw/zinc/20/96/11/396209611.db2.gz QAHUSNPYYXFOKI-LLVKDONJSA-N 1 0 322.390 0.716 10 0 DCAERO CN(C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1)C1CC1 ZINC000279303417 396164254 /nfs/dbraw/zinc/16/42/54/396164254.db2.gz MKBNIBAGTFMLNU-JSGCOSHPSA-N 1 0 321.400 0.946 10 0 DCAERO 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396182294 /nfs/dbraw/zinc/18/22/94/396182294.db2.gz PYRTXVIHXGHXLI-SCZZXKLOSA-N 1 0 316.383 0.005 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)NCCC[NH3+])cc1OC ZINC000262794676 396182982 /nfs/dbraw/zinc/18/29/82/396182982.db2.gz SWJPJHFMOZCZPJ-UHFFFAOYSA-N 1 0 302.352 0.109 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CN2CCCCCCC2=O)n1 ZINC000263297806 396212083 /nfs/dbraw/zinc/21/20/83/396212083.db2.gz WOXCCKBKTPKXSR-GFCCVEGCSA-N 1 0 307.398 0.938 10 0 DCAERO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000076058606 396194710 /nfs/dbraw/zinc/19/47/10/396194710.db2.gz SYFCOQOAFZHEAJ-DGCLKSJQSA-N 1 0 305.444 0.272 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCC(=O)C3CC3)ccn2)CC1 ZINC000180831897 396235652 /nfs/dbraw/zinc/23/56/52/396235652.db2.gz BMEWVCHGEFJJLF-UHFFFAOYSA-N 1 0 302.378 0.542 10 0 DCAERO NC(=O)C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CCCCC1 ZINC000182013623 396244818 /nfs/dbraw/zinc/24/48/18/396244818.db2.gz JHZDVIZKDYTXAW-LSDHHAIUSA-N 1 0 313.442 0.093 10 0 DCAERO NC(=O)C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CCCCC1 ZINC000182013664 396245095 /nfs/dbraw/zinc/24/50/95/396245095.db2.gz JHZDVIZKDYTXAW-HUUCEWRRSA-N 1 0 313.442 0.093 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2cnn(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000182054392 396246189 /nfs/dbraw/zinc/24/61/89/396246189.db2.gz CWLXVGUMASRCHE-IUODEOHRSA-N 1 0 323.441 0.715 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCn2ccnn2)C[C@H](C)O1 ZINC000182147473 396246886 /nfs/dbraw/zinc/24/68/86/396246886.db2.gz GJQCFXUNIVZXCW-OKILXGFUSA-N 1 0 324.429 0.467 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)[C@@H](C)C1 ZINC000183125122 396262162 /nfs/dbraw/zinc/26/21/62/396262162.db2.gz WRPKLRBCEGWDMK-AAEUAGOBSA-N 1 0 320.393 0.169 10 0 DCAERO C[C@@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079520480 396266661 /nfs/dbraw/zinc/26/66/61/396266661.db2.gz VFVHASZCMAPGIZ-AWEZNQCLSA-N 1 0 311.407 0.135 10 0 DCAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000183666619 396273244 /nfs/dbraw/zinc/27/32/44/396273244.db2.gz RHLCQVYJILPZDX-DOMZBBRYSA-N 1 0 319.405 0.422 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183783312 396274464 /nfs/dbraw/zinc/27/44/64/396274464.db2.gz JSETXOPOVZTJBS-UONOGXRCSA-N 1 0 308.426 0.781 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183869209 396276723 /nfs/dbraw/zinc/27/67/23/396276723.db2.gz MUMHCXGOXMEDPQ-UHFFFAOYSA-N 1 0 317.393 0.536 10 0 DCAERO COc1ccccc1[C@@H](NC(=O)C1C[NH2+]C1)c1noc(C)n1 ZINC000263330357 396214495 /nfs/dbraw/zinc/21/44/95/396214495.db2.gz UUAIDPDSUYBUEI-CYBMUJFWSA-N 1 0 302.334 0.812 10 0 DCAERO OCCC[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000179748903 396229391 /nfs/dbraw/zinc/22/93/91/396229391.db2.gz KSCHCWZXJFTHPN-IAGOWNOFSA-N 1 0 308.422 0.783 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCNC(=O)c1cccnc1 ZINC000077793493 396233668 /nfs/dbraw/zinc/23/36/68/396233668.db2.gz JLGVJJJJZKUAGW-CYBMUJFWSA-N 1 0 321.425 0.841 10 0 DCAERO Cn1cc(N2CCC[C@@H](Nc3cc[nH+]cc3C(N)=O)C2)cn1 ZINC000184123892 396285932 /nfs/dbraw/zinc/28/59/32/396285932.db2.gz KVFFBMZMEHRAHG-LLVKDONJSA-N 1 0 300.366 0.995 10 0 DCAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185523927 396329926 /nfs/dbraw/zinc/32/99/26/396329926.db2.gz YMDFOLYGKAROLD-MRXNPFEDSA-N 1 0 318.417 0.953 10 0 DCAERO CCOCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185547528 396330082 /nfs/dbraw/zinc/33/00/82/396330082.db2.gz JCYZIYHKLOTHBP-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CNC(N)=O)C1CC1 ZINC000187609290 396371731 /nfs/dbraw/zinc/37/17/31/396371731.db2.gz KOETYIIYUSZQAL-AWEZNQCLSA-N 1 0 304.394 0.682 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C)C(=O)C1 ZINC000188288302 396380777 /nfs/dbraw/zinc/38/07/77/396380777.db2.gz CHWRJHPCOBPQOY-ZIAGYGMSSA-N 1 0 310.442 0.981 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)c2cn3ccnc3s2)CC1 ZINC000188627095 396383355 /nfs/dbraw/zinc/38/33/55/396383355.db2.gz DPHCUISQLJVDAZ-UHFFFAOYSA-N 1 0 307.423 0.763 10 0 DCAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188669291 396384425 /nfs/dbraw/zinc/38/44/25/396384425.db2.gz SNOUIAQBRGXJBJ-UTSGRSJNSA-N 1 0 324.450 0.865 10 0 DCAERO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH+]3CCC1CC3)CS2 ZINC000188644855 396384507 /nfs/dbraw/zinc/38/45/07/396384507.db2.gz GHHNVSUSODIUSI-DOMZBBRYSA-N 1 0 309.435 0.747 10 0 DCAERO Cc1nn(C)c(C)c1CCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188756526 396385595 /nfs/dbraw/zinc/38/55/95/396385595.db2.gz HJHBEZJBSYVWOB-LBPRGKRZSA-N 1 0 308.426 0.495 10 0 DCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H](Oc2cccnc2)C1 ZINC000188953201 396389091 /nfs/dbraw/zinc/38/90/91/396389091.db2.gz QGOFHRSIZSYKFY-LBPRGKRZSA-N 1 0 313.361 0.744 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000193081894 396443516 /nfs/dbraw/zinc/44/35/16/396443516.db2.gz LSUOVSZWXQDCBA-GFCCVEGCSA-N 1 0 323.466 0.941 10 0 DCAERO COC(=O)c1cc(CN(C)C(=O)[C@H]2C[C@H](OC)C[NH2+]2)oc1C ZINC000189195858 396392041 /nfs/dbraw/zinc/39/20/41/396392041.db2.gz JPCQJDAXGGFFQD-GXFFZTMASA-N 1 0 310.350 0.710 10 0 DCAERO COC(=O)CCNC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193078864 396443752 /nfs/dbraw/zinc/44/37/52/396443752.db2.gz SNDAYDUGJWXQQX-UHFFFAOYSA-N 1 0 311.426 0.474 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000190356665 396404768 /nfs/dbraw/zinc/40/47/68/396404768.db2.gz FKPOSECGYSGQJN-CHWSQXEVSA-N 1 0 305.382 0.444 10 0 DCAERO CN1CCCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1=O ZINC000190377979 396405621 /nfs/dbraw/zinc/40/56/21/396405621.db2.gz QOUODNDYAWVZRQ-UHFFFAOYSA-N 1 0 320.393 0.326 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000191473172 396419554 /nfs/dbraw/zinc/41/95/54/396419554.db2.gz DEBUAFSBMIJBEY-KGLIPLIRSA-N 1 0 310.442 0.884 10 0 DCAERO CN1C(=O)C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000192154360 396430132 /nfs/dbraw/zinc/43/01/32/396430132.db2.gz FBZQQGSRPDUTAH-ZWNOBZJWSA-N 1 0 324.768 0.396 10 0 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RPIWSVXAWZRSTA-VXGBXAGGSA-N 1 0 315.439 0.087 10 0 DCAERO CC(C)C[NH+]1CCC(NC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000371886923 396479449 /nfs/dbraw/zinc/47/94/49/396479449.db2.gz AVOBHUGZODOHOL-MRXNPFEDSA-N 1 0 324.469 0.833 10 0 DCAERO O=C1CCC(=O)N1CCN1CCO[C@H](COc2ccccc2)C1 ZINC000562319373 396657127 /nfs/dbraw/zinc/65/71/27/396657127.db2.gz YVXVNOJETVBUMW-HNNXBMFYSA-N 1 0 318.373 0.915 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCSC[C@@H]1CCO ZINC000561143681 396630819 /nfs/dbraw/zinc/63/08/19/396630819.db2.gz AXLSYDHBWBQELI-XBFCOCLRSA-N 1 0 313.467 0.979 10 0 DCAERO CC[C@@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1C[C@@H](C)O ZINC000301410253 396716547 /nfs/dbraw/zinc/71/65/47/396716547.db2.gz OPKXYLORWORYDZ-CHWSQXEVSA-N 1 0 306.410 0.723 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375426494 396741478 /nfs/dbraw/zinc/74/14/78/396741478.db2.gz OFILMAODXBVYOU-LLVKDONJSA-N 1 0 322.365 0.416 10 0 DCAERO CS[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311846350 396761874 /nfs/dbraw/zinc/76/18/74/396761874.db2.gz VBFCTHXQLFNKKY-IJLUTSLNSA-N 1 0 308.469 0.568 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC000328627825 396826849 /nfs/dbraw/zinc/82/68/49/396826849.db2.gz GPABGMQVNNEWBR-SOUVJXGZSA-N 1 0 324.425 0.814 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000629590364 396800627 /nfs/dbraw/zinc/80/06/27/396800627.db2.gz WVHIWUKHJZFWQU-OIISXLGYSA-N 1 0 323.389 0.758 10 0 DCAERO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332828606 396894709 /nfs/dbraw/zinc/89/47/09/396894709.db2.gz BWFRSUOBHZGMBC-ASJAARPFSA-N 1 0 323.437 0.394 10 0 DCAERO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000333024776 396915639 /nfs/dbraw/zinc/91/56/39/396915639.db2.gz KIVXJIAKAHYMLR-JKIFEVAISA-N 1 0 321.421 0.368 10 0 DCAERO O=C(N[C@H]1CCn2ccnc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000333001469 396914161 /nfs/dbraw/zinc/91/41/61/396914161.db2.gz MPARLSYPLOKONF-KBPBESRZSA-N 1 0 301.394 0.854 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)N2CCC(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630359351 396993567 /nfs/dbraw/zinc/99/35/67/396993567.db2.gz CMNKHEIGQUAGKR-QWHCGFSZSA-N 1 0 305.444 0.401 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2cncc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630363330 396995210 /nfs/dbraw/zinc/99/52/10/396995210.db2.gz YTAVGVHTBRGJCN-PWSUYJOCSA-N 1 0 303.359 0.348 10 0 DCAERO CC1CC[NH+](CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000618676295 397010183 /nfs/dbraw/zinc/01/01/83/397010183.db2.gz PHBVJFALFNPLFP-CYBMUJFWSA-N 1 0 317.455 0.211 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000630944572 397143238 /nfs/dbraw/zinc/14/32/38/397143238.db2.gz BRNRFMWFJDQRAR-QLFBSQMISA-N 1 0 309.410 0.055 10 0 DCAERO COCCN(Cc1ccnn1C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612984854 397172100 /nfs/dbraw/zinc/17/21/00/397172100.db2.gz JWGSLOUXFBLMOC-AWEZNQCLSA-N 1 0 321.425 0.720 10 0 DCAERO CN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000381103584 397271252 /nfs/dbraw/zinc/27/12/52/397271252.db2.gz COQVVRUUBXTIIL-CYBMUJFWSA-N 1 0 302.371 0.576 10 0 DCAERO C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000407994752 397343591 /nfs/dbraw/zinc/34/35/91/397343591.db2.gz CXCIGZHWRQTAGR-GFCCVEGCSA-N 1 0 311.426 0.158 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408349209 397353519 /nfs/dbraw/zinc/35/35/19/397353519.db2.gz NMQDRDWRILBIAP-CYBMUJFWSA-N 1 0 306.428 0.196 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](CO)C2CCOCC2)CC1 ZINC000578290063 397415474 /nfs/dbraw/zinc/41/54/74/397415474.db2.gz PNLDGLFYPZCTDC-HNNXBMFYSA-N 1 0 311.426 0.725 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@H](CO)C2CCOCC2)CC1 ZINC000578290064 397415749 /nfs/dbraw/zinc/41/57/49/397415749.db2.gz PNLDGLFYPZCTDC-OAHLLOKOSA-N 1 0 311.426 0.725 10 0 DCAERO Cc1cccn2cc(CC(=O)NC[C@@H]3C[NH2+]CCCO3)nc12 ZINC000579014099 397516292 /nfs/dbraw/zinc/51/62/92/397516292.db2.gz NJCRZZKVGOQIKP-AWEZNQCLSA-N 1 0 302.378 0.680 10 0 DCAERO COCCOC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000604903123 397656864 /nfs/dbraw/zinc/65/68/64/397656864.db2.gz NPAZKNOQJNICSM-GOEBONIOSA-N 1 0 317.426 0.670 10 0 DCAERO COC(=O)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000608784467 397755250 /nfs/dbraw/zinc/75/52/50/397755250.db2.gz XQDGLGMLXRRPFH-HNNXBMFYSA-N 1 0 323.437 0.757 10 0 DCAERO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCCC2 ZINC000333435292 286347758 /nfs/dbraw/zinc/34/77/58/286347758.db2.gz VFSXBWZEXIECQW-XDQVBPFNSA-N 1 0 311.426 0.698 10 0 DCAERO COCCCS(=O)(=O)NCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245468668 292374294 /nfs/dbraw/zinc/37/42/94/292374294.db2.gz KYQWWDJTBSBFFK-KBPBESRZSA-N 1 0 319.471 0.111 10 0 DCAERO Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000041642845 157993066 /nfs/dbraw/zinc/99/30/66/157993066.db2.gz FCXAUXOSDNBLEP-CQSZACIVSA-N 1 0 319.405 0.897 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048089446 158005576 /nfs/dbraw/zinc/00/55/76/158005576.db2.gz TZXAPJIOTLDHSB-GFCCVEGCSA-N 1 0 304.394 0.824 10 0 DCAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccnn2C)C[C@H](C)O1 ZINC000048458012 158006736 /nfs/dbraw/zinc/00/67/36/158006736.db2.gz IEQSORVDGWCQCJ-BETUJISGSA-N 1 0 309.414 0.719 10 0 DCAERO COC(=O)CCCS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049062593 158009578 /nfs/dbraw/zinc/00/95/78/158009578.db2.gz FCCXSOAPIUGBIM-GFCCVEGCSA-N 1 0 308.444 0.835 10 0 DCAERO C[C@@H](NC(=O)CN1CCC([NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051953492 158014771 /nfs/dbraw/zinc/01/47/71/158014771.db2.gz DBYPHMNCKHOPKY-CYBMUJFWSA-N 1 0 310.442 0.140 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000077793225 158070513 /nfs/dbraw/zinc/07/05/13/158070513.db2.gz OCIXIQUATQUTTN-KGLIPLIRSA-N 1 0 300.447 0.737 10 0 DCAERO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000081520066 158084248 /nfs/dbraw/zinc/08/42/48/158084248.db2.gz JYOVGHLAMYELJI-STQMWFEESA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085796254 158090707 /nfs/dbraw/zinc/09/07/07/158090707.db2.gz KASNPVDPUKWUOQ-OLZOCXBDSA-N 1 0 304.456 0.751 10 0 DCAERO CC1(C)NC(=O)N(CC[NH+]2CCC(Cn3cccn3)CC2)C1=O ZINC000105886994 158132101 /nfs/dbraw/zinc/13/21/01/158132101.db2.gz YCZYUSCOBUZXLP-UHFFFAOYSA-N 1 0 319.409 0.926 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000112143210 158141971 /nfs/dbraw/zinc/14/19/71/158141971.db2.gz XAZXWBXVEZEKSB-VHSXEESVSA-N 1 0 322.331 0.495 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCSc1nnnn1C ZINC000113228444 158145210 /nfs/dbraw/zinc/14/52/10/158145210.db2.gz QDPBQLRFBHXBCO-GHMZBOCLSA-N 1 0 310.427 0.387 10 0 DCAERO COCCNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114580932 158154153 /nfs/dbraw/zinc/15/41/53/158154153.db2.gz NWWMSGBYOBFEFM-UHFFFAOYSA-N 1 0 321.425 0.621 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000116784220 158166740 /nfs/dbraw/zinc/16/67/40/158166740.db2.gz JPEQHLPUNVZRPV-UKRRQHHQSA-N 1 0 323.437 0.567 10 0 DCAERO CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887547 158167734 /nfs/dbraw/zinc/16/77/34/158167734.db2.gz MSBXGJHZBWERKV-OLZOCXBDSA-N 1 0 319.471 0.503 10 0 DCAERO COc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000117028794 158170326 /nfs/dbraw/zinc/17/03/26/158170326.db2.gz BNIYOUWBBHHEKL-CYBMUJFWSA-N 1 0 308.382 0.562 10 0 DCAERO C[C@H](C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)CS(C)(=O)=O ZINC000118987012 158181223 /nfs/dbraw/zinc/18/12/23/158181223.db2.gz BBKIBBMXHZGOGG-KGLIPLIRSA-N 1 0 320.499 0.692 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000125316146 158253594 /nfs/dbraw/zinc/25/35/94/158253594.db2.gz WURJUYJGKYXVQA-NEPJUHHUSA-N 1 0 319.471 0.551 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCO1 ZINC000127307363 158272897 /nfs/dbraw/zinc/27/28/97/158272897.db2.gz ZRYXNIBSZZXXPS-SNVBAGLBSA-N 1 0 318.299 0.898 10 0 DCAERO O=C(NCCCO[C@H]1CCOC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000127914262 158277285 /nfs/dbraw/zinc/27/72/85/158277285.db2.gz FHXZFLIRACVZCV-CABCVRRESA-N 1 0 309.410 0.838 10 0 DCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CCO)CCOC1 ZINC000128255990 158279690 /nfs/dbraw/zinc/27/96/90/158279690.db2.gz MLZSKXHWSKPRRH-GOEBONIOSA-N 1 0 313.442 0.949 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000129966891 158292342 /nfs/dbraw/zinc/29/23/42/158292342.db2.gz CIPSUXCKBIQTJV-UHFFFAOYSA-N 1 0 309.410 0.762 10 0 DCAERO CC[C@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1C[C@@H](C)O ZINC000133325997 158318253 /nfs/dbraw/zinc/31/82/53/158318253.db2.gz QEROVGQIRWVVMM-OLZOCXBDSA-N 1 0 310.398 0.129 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCO1 ZINC000135173689 158334210 /nfs/dbraw/zinc/33/42/10/158334210.db2.gz MGUKBEGCUVFWEH-CQSZACIVSA-N 1 0 315.377 0.670 10 0 DCAERO CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136269683 158343084 /nfs/dbraw/zinc/34/30/84/158343084.db2.gz KLJFLOTYLVLEQS-ZIAGYGMSSA-N 1 0 310.442 0.979 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170873624 158376987 /nfs/dbraw/zinc/37/69/87/158376987.db2.gz FXZIFFPWKWHOCX-GFCCVEGCSA-N 1 0 312.391 0.798 10 0 DCAERO O=C(c1cccc2c1OCC(=O)N2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171471106 158383248 /nfs/dbraw/zinc/38/32/48/158383248.db2.gz CTEFEZQKZBUBPB-LLVKDONJSA-N 1 0 301.346 0.938 10 0 DCAERO CCOCCN1CC[N@H+](CCCC(=O)NC(N)=O)C[C@H]1CC ZINC000171574590 158384757 /nfs/dbraw/zinc/38/47/57/158384757.db2.gz BXGRLDQRRYCYFP-CYBMUJFWSA-N 1 0 314.430 0.394 10 0 DCAERO COCC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171803375 158387569 /nfs/dbraw/zinc/38/75/69/158387569.db2.gz DDOFDCYHKDMSRT-UHFFFAOYSA-N 1 0 306.410 0.988 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000172056589 158390331 /nfs/dbraw/zinc/39/03/31/158390331.db2.gz UGKBMHLCTGQRIN-CABCVRRESA-N 1 0 319.453 0.762 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176805028 158441987 /nfs/dbraw/zinc/44/19/87/158441987.db2.gz OKSWLVYCGUGXBD-UHFFFAOYSA-N 1 0 319.405 0.949 10 0 DCAERO CCCC(=O)NCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177082597 158444589 /nfs/dbraw/zinc/44/45/89/158444589.db2.gz UOIBZYDYWCLCTH-UHFFFAOYSA-N 1 0 313.442 0.862 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000248696507 158696756 /nfs/dbraw/zinc/69/67/56/158696756.db2.gz JVSRTPLVOWZYDU-ZDUSSCGKSA-N 1 0 324.425 0.749 10 0 DCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261603858 158721421 /nfs/dbraw/zinc/72/14/21/158721421.db2.gz AINYKZSUOXAVOZ-KGLIPLIRSA-N 1 0 311.426 0.504 10 0 DCAERO CN1C(=O)C[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)[C@H]1c1cccnc1 ZINC000261829993 158743010 /nfs/dbraw/zinc/74/30/10/158743010.db2.gz IGHADCGKOQXJNE-YSVLISHTSA-N 1 0 316.405 0.798 10 0 DCAERO COCCOc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261890975 158749993 /nfs/dbraw/zinc/74/99/93/158749993.db2.gz QNIVGXOYMLFKIP-UHFFFAOYSA-N 1 0 308.378 0.836 10 0 DCAERO Cn1c(CCNC(=O)C2([NH3+])CCOCC2)nc2ccc(F)cc21 ZINC000261928658 158755424 /nfs/dbraw/zinc/75/54/24/158755424.db2.gz VZSYLAUBRXQKNT-UHFFFAOYSA-N 1 0 320.368 0.879 10 0 DCAERO Cc1c([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cnn1C ZINC000261975701 158760881 /nfs/dbraw/zinc/76/08/81/158760881.db2.gz RAMWLZWYGWLRQW-KMUNFCNLSA-N 1 0 316.409 0.642 10 0 DCAERO COc1ccc(C(=O)N[C@H](C(=O)NCC2C[NH2+]C2)C(C)C)cc1 ZINC000262020030 158765065 /nfs/dbraw/zinc/76/50/65/158765065.db2.gz LYYPWKKCKUMWQP-HNNXBMFYSA-N 1 0 319.405 0.785 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000262065593 158769161 /nfs/dbraw/zinc/76/91/61/158769161.db2.gz BGAIMCKXZBIRTK-KWQFWETISA-N 1 0 317.158 0.898 10 0 DCAERO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262080191 158770233 /nfs/dbraw/zinc/77/02/33/158770233.db2.gz CIDQDFADEDHKNN-ZYHUDNBSSA-N 1 0 318.402 0.824 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc(Nc2ccccn2)n1 ZINC000262243614 158789856 /nfs/dbraw/zinc/78/98/56/158789856.db2.gz LBSCTDAIZKVGIQ-KOLCDFICSA-N 1 0 319.390 0.592 10 0 DCAERO COc1ccc2nc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)ccc2c1 ZINC000262388043 158807892 /nfs/dbraw/zinc/80/78/92/158807892.db2.gz XQRDNFAVAWTQCE-XHDPSFHLSA-N 1 0 301.346 0.554 10 0 DCAERO CC[NH2+][C@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262467014 158815369 /nfs/dbraw/zinc/81/53/69/158815369.db2.gz NVUAXDKLFXFVAZ-SNVBAGLBSA-N 1 0 304.350 0.216 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000262729871 158836601 /nfs/dbraw/zinc/83/66/01/158836601.db2.gz HVATZHVVVWQJMG-BXUZGUMPSA-N 1 0 307.369 0.599 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262859018 158845241 /nfs/dbraw/zinc/84/52/41/158845241.db2.gz TWTKLTOPCJTNDQ-OPRDCNLKSA-N 1 0 307.316 0.511 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@H]3CC[NH2+]C[C@H]3C)n2)cc1 ZINC000262860148 158845561 /nfs/dbraw/zinc/84/55/61/158845561.db2.gz TZOIMYTVLBEAEC-OCCSQVGLSA-N 1 0 314.393 0.763 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000262911882 158848471 /nfs/dbraw/zinc/84/84/71/158848471.db2.gz YNIXSHYPQUXJHA-DGCLKSJQSA-N 1 0 302.440 0.848 10 0 DCAERO COc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)N2CCOCC2)cc1 ZINC000263301127 158870276 /nfs/dbraw/zinc/87/02/76/158870276.db2.gz NJRPHPUFEJOJOK-MRXNPFEDSA-N 1 0 319.405 0.404 10 0 DCAERO CO[C@H]1C[C@H](CO)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000323772124 159013437 /nfs/dbraw/zinc/01/34/37/159013437.db2.gz XZSHABNCCPPGTD-OLZOCXBDSA-N 1 0 318.373 0.754 10 0 DCAERO O=C1[C@@H]([N@@H+]2CCC[C@H](c3nnc[nH]3)C2)CCN1C1CCOCC1 ZINC000328669815 159019276 /nfs/dbraw/zinc/01/92/76/159019276.db2.gz MGDKNHAUTLRYOD-JSGCOSHPSA-N 1 0 319.409 0.764 10 0 DCAERO C[C@@H]1CN(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680449 159020284 /nfs/dbraw/zinc/02/02/84/159020284.db2.gz UOYFLBJWNWLAJF-GDBMZVCRSA-N 1 0 308.426 0.429 10 0 DCAERO CN1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@H]21 ZINC000328812869 159031275 /nfs/dbraw/zinc/03/12/75/159031275.db2.gz BOGZCUGRARYSBR-BFHYXJOUSA-N 1 0 318.439 0.290 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)n1cccn1 ZINC000329146760 159067793 /nfs/dbraw/zinc/06/77/93/159067793.db2.gz OOWLAOVCSJIHCD-UONOGXRCSA-N 1 0 319.409 0.209 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)O1 ZINC000329289511 159080530 /nfs/dbraw/zinc/08/05/30/159080530.db2.gz ICMBFAHAYDSCRH-XQLPTFJDSA-N 1 0 323.437 0.565 10 0 DCAERO NS(=O)(=O)[C@H]1CCCN(Cc2nc3cccnc3s2)C1 ZINC000329573607 159104182 /nfs/dbraw/zinc/10/41/82/159104182.db2.gz JKKUEXVWIPUYFR-VIFPVBQESA-N 1 0 312.420 0.944 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)nn1 ZINC000329620656 159106989 /nfs/dbraw/zinc/10/69/89/159106989.db2.gz FMADXQSDZLTAHN-ZMJPVWNMSA-N 1 0 323.397 0.029 10 0 DCAERO Cc1c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nnn1C ZINC000329735413 159116157 /nfs/dbraw/zinc/11/61/57/159116157.db2.gz RYJALVQQWNIYAW-CQSZACIVSA-N 1 0 320.441 0.366 10 0 DCAERO Cc1cccc2nc(CN3CCO[C@@]4(CCOC4)C3)cc(=O)n12 ZINC000329886591 159126045 /nfs/dbraw/zinc/12/60/45/159126045.db2.gz WIAUJQQYIAPNLO-KRWDZBQOSA-N 1 0 315.373 0.994 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)N1CCCCC1 ZINC000333016135 159218913 /nfs/dbraw/zinc/21/89/13/159218913.db2.gz YFUSHHDNKCHMOE-DUVNUKRYSA-N 1 0 323.437 0.661 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000366984054 159302982 /nfs/dbraw/zinc/30/29/82/159302982.db2.gz UIUHUIRPFYKXJQ-LLVKDONJSA-N 1 0 311.407 0.427 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000367489883 159341308 /nfs/dbraw/zinc/34/13/08/159341308.db2.gz POHHKGNEXBYVMD-MRXNPFEDSA-N 1 0 301.346 0.753 10 0 DCAERO COc1ccncc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000367750795 159354457 /nfs/dbraw/zinc/35/44/57/159354457.db2.gz BZXCTHLMQTXLFG-MRXNPFEDSA-N 1 0 318.377 0.995 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000408019966 160012981 /nfs/dbraw/zinc/01/29/81/160012981.db2.gz BONSCPKJGUCVJO-RDBSUJKOSA-N 1 0 321.421 0.714 10 0 DCAERO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000408023175 160013550 /nfs/dbraw/zinc/01/35/50/160013550.db2.gz QKFFKXOJAWUAEY-QWHCGFSZSA-N 1 0 317.455 0.211 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000408025041 160014543 /nfs/dbraw/zinc/01/45/43/160014543.db2.gz MXNOYRNPYAMJBK-AWEZNQCLSA-N 1 0 303.410 0.856 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000408047264 160022394 /nfs/dbraw/zinc/02/23/94/160022394.db2.gz OYRBFIWLNMXOJU-MRXNPFEDSA-N 1 0 311.426 0.208 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C[C@H]1C(N)=O ZINC000408048746 160022697 /nfs/dbraw/zinc/02/26/97/160022697.db2.gz PIDVOBGQBSWNSC-MQYQWHSLSA-N 1 0 309.410 0.210 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000408061663 160026559 /nfs/dbraw/zinc/02/65/59/160026559.db2.gz LDUAMBPMFGQQAT-RQJABVFESA-N 1 0 317.455 0.557 10 0 DCAERO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408068757 160027632 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COc1cc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1C ZINC000408307013 160081358 /nfs/dbraw/zinc/08/13/58/160081358.db2.gz CGFBNPJUNVKRMS-LBPRGKRZSA-N 1 0 322.409 0.754 10 0 DCAERO O=C(Cn1cnnn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061226670 286901553 /nfs/dbraw/zinc/90/15/53/286901553.db2.gz BFTRPIRSQXDATH-UHFFFAOYSA-N 1 0 300.366 0.585 10 0 DCAERO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)CN1CCOCC1 ZINC000132660370 287006356 /nfs/dbraw/zinc/00/63/56/287006356.db2.gz FFGVKIRJSJGQHB-HNNXBMFYSA-N 1 0 312.410 0.730 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000152091415 287038308 /nfs/dbraw/zinc/03/83/08/287038308.db2.gz SLKHSVDWZIYWIF-TUAOUCFPSA-N 1 0 306.428 0.444 10 0 DCAERO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000152541144 287042458 /nfs/dbraw/zinc/04/24/58/287042458.db2.gz MEWJMBWXPRCBLI-SGMGOOAPSA-N 1 0 311.426 0.347 10 0 DCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000153143747 287047375 /nfs/dbraw/zinc/04/73/75/287047375.db2.gz 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ZINC000246410558 287083145 /nfs/dbraw/zinc/08/31/45/287083145.db2.gz BBWYIJOPIFHQDD-GXTWGEPZSA-N 1 0 316.467 0.905 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000246570889 287085404 /nfs/dbraw/zinc/08/54/04/287085404.db2.gz MJYLBMZLCOARNW-GJZGRUSLSA-N 1 0 310.442 0.587 10 0 DCAERO CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246752299 287087325 /nfs/dbraw/zinc/08/73/25/287087325.db2.gz ZIWQEWVEQVMDRB-OLZOCXBDSA-N 1 0 317.455 0.116 10 0 DCAERO CCOCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246842684 287088405 /nfs/dbraw/zinc/08/84/05/287088405.db2.gz MKMXGBYTAXNGNH-KBPBESRZSA-N 1 0 302.415 0.343 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCOCCOC)[C@@H](C)C1 ZINC000246700684 287086868 /nfs/dbraw/zinc/08/68/68/287086868.db2.gz MWBGAGWNZRATQR-KBPBESRZSA-N 1 0 322.471 0.641 10 0 DCAERO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000247409143 287093755 /nfs/dbraw/zinc/09/37/55/287093755.db2.gz CBZVRSRATYHVKJ-QLFBSQMISA-N 1 0 323.437 0.614 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCCOC)CC[N@@H+]1C[C@H](C)O ZINC000248455970 287097246 /nfs/dbraw/zinc/09/72/46/287097246.db2.gz MXZFNDGHGBUECJ-KBPBESRZSA-N 1 0 301.431 0.900 10 0 DCAERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)[C@H]1CCCO1 ZINC000248589732 287098447 /nfs/dbraw/zinc/09/84/47/287098447.db2.gz KQIXBXQXJVDDDW-KWCYVHTRSA-N 1 0 311.426 0.659 10 0 DCAERO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000248581072 287098459 /nfs/dbraw/zinc/09/84/59/287098459.db2.gz OSSQFJQGCVCHNU-QZTJIDSGSA-N 1 0 322.449 0.869 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCS2)C[C@@H]1C ZINC000248601614 287098670 /nfs/dbraw/zinc/09/86/70/287098670.db2.gz JBXDYAJJIGKICD-RWMBFGLXSA-N 1 0 301.456 0.979 10 0 DCAERO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000248655729 287099104 /nfs/dbraw/zinc/09/91/04/287099104.db2.gz QSAOANRMZNYZFL-NEPJUHHUSA-N 1 0 311.407 0.947 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000248716623 287100465 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COCCN1CCC[C@H]1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187151204 292533867 /nfs/dbraw/zinc/53/38/67/292533867.db2.gz WKMCKXJYKLVPPX-ZFWWWQNUSA-N 1 0 318.483 0.900 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000268276410 415186209 /nfs/dbraw/zinc/18/62/09/415186209.db2.gz VEHSNUWVGGKBBQ-VHSXEESVSA-N 1 0 320.397 0.513 10 0 DCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccccc1F ZINC000041642915 415201704 /nfs/dbraw/zinc/20/17/04/415201704.db2.gz RCJJUNMLKABZNW-GFCCVEGCSA-N 1 0 323.368 0.727 10 0 DCAERO CN1CC(=O)N(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1=O ZINC000052555243 415316561 /nfs/dbraw/zinc/31/65/61/415316561.db2.gz MZIDBDOZZVEEFC-CYBMUJFWSA-N 1 0 318.377 0.300 10 0 DCAERO CC(C)NC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202916 415337181 /nfs/dbraw/zinc/33/71/81/415337181.db2.gz NTGRLLPVZJUYRA-HNNXBMFYSA-N 1 0 320.437 0.983 10 0 DCAERO COCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000070576014 415404767 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O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000332911350 415509015 /nfs/dbraw/zinc/50/90/15/415509015.db2.gz KRBKVOUZLWGMGJ-KBPBESRZSA-N 1 0 301.394 0.923 10 0 DCAERO C[C@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000333031002 415534378 /nfs/dbraw/zinc/53/43/78/415534378.db2.gz CFMLXOLBZMNMMH-GFJIZPEISA-N 1 0 308.426 0.827 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)[N@H+](C)C1 ZINC000343295445 415540220 /nfs/dbraw/zinc/54/02/20/415540220.db2.gz KMUOPHKSPXZOTN-KBPBESRZSA-N 1 0 304.394 0.449 10 0 DCAERO CCCc1nnc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000333125290 415564359 /nfs/dbraw/zinc/56/43/59/415564359.db2.gz IWYBIWAZINVJRO-LLVKDONJSA-N 1 0 324.454 1.002 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333355787 415620697 /nfs/dbraw/zinc/62/06/97/415620697.db2.gz CAXHICZBMLYTMR-ASEORRQLSA-N 1 0 307.398 0.547 10 0 DCAERO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000105279260 415631047 /nfs/dbraw/zinc/63/10/47/415631047.db2.gz ZJXQITHXQNMBBB-OLZOCXBDSA-N 1 0 312.414 0.017 10 0 DCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000333409248 415641708 /nfs/dbraw/zinc/64/17/08/415641708.db2.gz QZFPJIIMJAQADT-NWDGAFQWSA-N 1 0 310.402 0.200 10 0 DCAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106817324 415649449 /nfs/dbraw/zinc/64/94/49/415649449.db2.gz QCOBMFVGNFKXCR-LSDHHAIUSA-N 1 0 324.469 0.386 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H](C)C1 ZINC000333218619 415585492 /nfs/dbraw/zinc/58/54/92/415585492.db2.gz RFNJIRSGUXEPKM-UVHLSAOVSA-N 1 0 301.456 0.879 10 0 DCAERO C[C@@H]1C[C@H](S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)CCO1 ZINC000333459662 415656624 /nfs/dbraw/zinc/65/66/24/415656624.db2.gz UHILSGYWKJJAJW-JHJVBQTASA-N 1 0 322.496 0.911 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000107284355 415663763 /nfs/dbraw/zinc/66/37/63/415663763.db2.gz KNUKANZTAWPWLR-OAHLLOKOSA-N 1 0 322.453 0.237 10 0 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CN1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333817371 415744585 /nfs/dbraw/zinc/74/45/85/415744585.db2.gz KIABCYULEQWBCU-CVEARBPZSA-N 1 0 324.469 0.881 10 0 DCAERO O=C(NCCc1cn2c(n1)SCC2)N[C@H]1CCCC[NH2+]C1 ZINC000333833413 415745026 /nfs/dbraw/zinc/74/50/26/415745026.db2.gz TXHQVFDWOLENRR-NSHDSACASA-N 1 0 309.439 0.973 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000333764137 415735654 /nfs/dbraw/zinc/73/56/54/415735654.db2.gz AYFZJGZDPATIRL-UONOGXRCSA-N 1 0 306.414 0.842 10 0 DCAERO C[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000120380698 415766955 /nfs/dbraw/zinc/76/69/55/415766955.db2.gz DZMFZCCZPIQABT-RYUDHWBXSA-N 1 0 306.410 0.974 10 0 DCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1 ZINC000334117481 415809381 /nfs/dbraw/zinc/80/93/81/415809381.db2.gz IJBCDWBLLJZVJJ-KBPBESRZSA-N 1 0 320.441 0.512 10 0 DCAERO C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000126027681 415869332 /nfs/dbraw/zinc/86/93/32/415869332.db2.gz GJOJGKWZFWXGBH-UPJWGTAASA-N 1 0 321.487 0.906 10 0 DCAERO C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130892379 415923481 /nfs/dbraw/zinc/92/34/81/415923481.db2.gz WHQNCDOAWWCVDK-LBPRGKRZSA-N 1 0 319.471 0.505 10 0 DCAERO Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000134099768 415953976 /nfs/dbraw/zinc/95/39/76/415953976.db2.gz JXWFQEBLGOLTGP-ZDUSSCGKSA-N 1 0 310.398 0.205 10 0 DCAERO Cc1noc([C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCN2C)n1 ZINC000344612504 415961669 /nfs/dbraw/zinc/96/16/69/415961669.db2.gz YMTXBUSVNPPUGY-STQMWFEESA-N 1 0 309.414 0.779 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC[NH2+]1 ZINC000155094896 415993732 /nfs/dbraw/zinc/99/37/32/415993732.db2.gz YYNCLTYVGVHDSY-HIFRSBDPSA-N 1 0 316.405 0.897 10 0 DCAERO NC(=O)c1ccc(NCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000174520301 416079481 /nfs/dbraw/zinc/07/94/81/416079481.db2.gz MHUYZDMRDDTUHF-HNNXBMFYSA-N 1 0 316.405 0.894 10 0 DCAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000172844089 416048798 /nfs/dbraw/zinc/04/87/98/416048798.db2.gz GNTYMMGMINUREO-ZFWWWQNUSA-N 1 0 307.442 0.793 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000173865071 416068464 /nfs/dbraw/zinc/06/84/64/416068464.db2.gz QIMAKTPBFBSKMT-ARFHVFGLSA-N 1 0 324.469 0.975 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173987519 416069397 /nfs/dbraw/zinc/06/93/97/416069397.db2.gz TWSAFVYVGXIENN-CQSZACIVSA-N 1 0 324.429 0.593 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000174157426 416074403 /nfs/dbraw/zinc/07/44/03/416074403.db2.gz QZNPXNWCYCYMKJ-HZPDHXFCSA-N 1 0 324.469 0.834 10 0 DCAERO CCOCCOCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174178769 416074553 /nfs/dbraw/zinc/07/45/53/416074553.db2.gz FEMABOZJNGOYEV-AWEZNQCLSA-N 1 0 300.399 0.220 10 0 DCAERO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000163869153 416016562 /nfs/dbraw/zinc/01/65/62/416016562.db2.gz 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416091058 /nfs/dbraw/zinc/09/10/58/416091058.db2.gz CNIZGZAYCNSARL-NWDGAFQWSA-N 1 0 305.382 0.001 10 0 DCAERO COCCCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175126449 416097824 /nfs/dbraw/zinc/09/78/24/416097824.db2.gz JACHOHCBRKWVPR-CYBMUJFWSA-N 1 0 322.471 0.377 10 0 DCAERO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000357711425 416120345 /nfs/dbraw/zinc/12/03/45/416120345.db2.gz URCWPRLOMJWYRB-SNVBAGLBSA-N 1 0 307.350 0.668 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NCCC1CC[NH+](C)CC1 ZINC000176330071 416123873 /nfs/dbraw/zinc/12/38/73/416123873.db2.gz SMERAIRAVKZYPJ-UHFFFAOYSA-N 1 0 305.444 0.116 10 0 DCAERO Cc1c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1C ZINC000176754503 416133335 /nfs/dbraw/zinc/13/33/35/416133335.db2.gz MLJPLDOOIYDXEU-GWCFXTLKSA-N 1 0 307.398 0.512 10 0 DCAERO CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000357797873 416133453 /nfs/dbraw/zinc/13/34/53/416133453.db2.gz SQNPOUCCGDKYGM-ZIAGYGMSSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1N1CCOCC1 ZINC000178861259 416173916 /nfs/dbraw/zinc/17/39/16/416173916.db2.gz KWZIEQZFPCELOR-XJKSGUPXSA-N 1 0 303.406 0.938 10 0 DCAERO O=S(=O)([C@H]1CC[N@H+](CCCn2ccnc2)C1)N1CCCC1 ZINC000182866424 416233374 /nfs/dbraw/zinc/23/33/74/416233374.db2.gz AVJKGPSORYSKSG-AWEZNQCLSA-N 1 0 312.439 0.773 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N(C)[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000179068759 416180785 /nfs/dbraw/zinc/18/07/85/416180785.db2.gz JPBMFTDDWQCLSJ-CYBMUJFWSA-N 1 0 319.409 0.522 10 0 DCAERO CC[N@H+](CC(=O)N1CCCN(Cc2noc(C)n2)CC1)C1CC1 ZINC000179170617 416183017 /nfs/dbraw/zinc/18/30/17/416183017.db2.gz JYISMIMPMMQWFX-UHFFFAOYSA-N 1 0 321.425 0.897 10 0 DCAERO CN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000179101028 416183172 /nfs/dbraw/zinc/18/31/72/416183172.db2.gz FOODDQZEGZBAMG-GFCCVEGCSA-N 1 0 322.409 0.404 10 0 DCAERO COC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000358144881 416202452 /nfs/dbraw/zinc/20/24/52/416202452.db2.gz YHJISKHYEIEAHT-INIZCTEOSA-N 1 0 309.454 0.945 10 0 DCAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000181567022 416210455 /nfs/dbraw/zinc/21/04/55/416210455.db2.gz SGBPBTCQRBQIHR-WCQYABFASA-N 1 0 324.406 0.242 10 0 DCAERO Cn1ncc2c1ncc(C(=O)N1CCC[N@@H+](C3CC3)CC1)c2O ZINC000181878978 416211608 /nfs/dbraw/zinc/21/16/08/416211608.db2.gz LGRYXICQQLTPIL-UHFFFAOYSA-N 1 0 315.377 0.984 10 0 DCAERO COCCc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000178215253 416158440 /nfs/dbraw/zinc/15/84/40/416158440.db2.gz TVEHPFGRCZHOFT-CYBMUJFWSA-N 1 0 307.398 0.921 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000178291760 416160814 /nfs/dbraw/zinc/16/08/14/416160814.db2.gz DBDIAMAAZIOYIQ-OAHLLOKOSA-N 1 0 306.410 0.905 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000178426104 416162471 /nfs/dbraw/zinc/16/24/71/416162471.db2.gz MDIMNDKWMKHMOL-OAHLLOKOSA-N 1 0 306.410 0.986 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000178508308 416163966 /nfs/dbraw/zinc/16/39/66/416163966.db2.gz NKEKWPLUBNUESQ-ZDUSSCGKSA-N 1 0 312.410 0.899 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329362688 416165782 /nfs/dbraw/zinc/16/57/82/416165782.db2.gz HKHCUHWZZUWTHS-MLGOLLRUSA-N 1 0 322.409 0.606 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)NCCN1CCOCC1(C)C ZINC000183527480 416243132 /nfs/dbraw/zinc/24/31/32/416243132.db2.gz QSQJJLFLMFJHTO-UHFFFAOYSA-N 1 0 306.410 0.988 10 0 DCAERO NC(=O)COc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186530857 416256692 /nfs/dbraw/zinc/25/66/92/416256692.db2.gz MSBMNQDDPXMEBQ-CYBMUJFWSA-N 1 0 317.389 0.907 10 0 DCAERO Cc1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)no1 ZINC000188935462 416264102 /nfs/dbraw/zinc/26/41/02/416264102.db2.gz OAHKOMMTNAZKHG-SNVBAGLBSA-N 1 0 311.386 0.365 10 0 DCAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COC(C)(C)C ZINC000189419540 416266542 /nfs/dbraw/zinc/26/65/42/416266542.db2.gz VXYMXNLXQOJPEJ-KGLIPLIRSA-N 1 0 302.459 0.939 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183171036 416236214 /nfs/dbraw/zinc/23/62/14/416236214.db2.gz UYGSWLLXCQNMOU-AGIUHOORSA-N 1 0 300.399 0.847 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000183349180 416239597 /nfs/dbraw/zinc/23/95/97/416239597.db2.gz AWUXUZGCTQXHIA-CHWSQXEVSA-N 1 0 310.442 0.884 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193612070 416319340 /nfs/dbraw/zinc/31/93/40/416319340.db2.gz ZGBNSZOZYGKFQK-ZWNOBZJWSA-N 1 0 311.407 0.513 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000358825859 416280051 /nfs/dbraw/zinc/28/00/51/416280051.db2.gz XVSFXOCMTDITQA-UHFFFAOYSA-N 1 0 310.423 0.166 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC1 ZINC000191773750 416287985 /nfs/dbraw/zinc/28/79/85/416287985.db2.gz PNIUQIBQODZCTC-HNNXBMFYSA-N 1 0 303.406 0.802 10 0 DCAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000247193472 416332557 /nfs/dbraw/zinc/33/25/57/416332557.db2.gz OHLARWMNSWCVAV-HOTGVXAUSA-N 1 0 322.453 0.776 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)CCOC ZINC000247183473 416332669 /nfs/dbraw/zinc/33/26/69/416332669.db2.gz SDMIQXFMMWGKTE-OLZOCXBDSA-N 1 0 305.444 0.368 10 0 DCAERO C[C@H]1CN(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)CCO1 ZINC000249270723 416334149 /nfs/dbraw/zinc/33/41/49/416334149.db2.gz JETDDCWOUBHHDU-IRXDYDNUSA-N 1 0 311.470 0.894 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000261566361 416335551 /nfs/dbraw/zinc/33/55/51/416335551.db2.gz GVMUQZJRZMFWQI-RKDXNWHRSA-N 1 0 306.819 0.679 10 0 DCAERO CCCN(C[C@@H]1CCCCO1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000262263376 416336580 /nfs/dbraw/zinc/33/65/80/416336580.db2.gz XVGSVEYIGAHLBS-ZFWWWQNUSA-N 1 0 313.442 0.894 10 0 DCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000262787504 416337175 /nfs/dbraw/zinc/33/71/75/416337175.db2.gz MYCJHYSBQAGBAV-OVZMXSCWSA-N 1 0 311.426 0.679 10 0 DCAERO Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000264824050 416339712 /nfs/dbraw/zinc/33/97/12/416339712.db2.gz GPWQNKWDGHKZCU-SNVBAGLBSA-N 1 0 318.381 0.047 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000194918987 416324976 /nfs/dbraw/zinc/32/49/76/416324976.db2.gz LDTRXYGWCFTUOR-CHWSQXEVSA-N 1 0 319.471 0.503 10 0 DCAERO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195311391 416325802 /nfs/dbraw/zinc/32/58/02/416325802.db2.gz PHGUSEMJJCRXNX-LBPRGKRZSA-N 1 0 320.393 0.158 10 0 DCAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230850031 416328070 /nfs/dbraw/zinc/32/80/70/416328070.db2.gz SXJTWGMKDZTTAI-PSASIEDQSA-N 1 0 306.819 0.964 10 0 DCAERO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000230863298 416328097 /nfs/dbraw/zinc/32/80/97/416328097.db2.gz GVMUQZJRZMFWQI-IUCAKERBSA-N 1 0 306.819 0.679 10 0 DCAERO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C[C@@H]1CCCC[C@H]1O ZINC000245551115 416331265 /nfs/dbraw/zinc/33/12/65/416331265.db2.gz PITDXXQHCIJPDV-MELADBBJSA-N 1 0 311.426 0.193 10 0 DCAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000245532390 416331386 /nfs/dbraw/zinc/33/13/86/416331386.db2.gz IDBLGCGWQCZCFU-AEFFLSMTSA-N 1 0 322.449 0.953 10 0 DCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000246158583 416331662 /nfs/dbraw/zinc/33/16/62/416331662.db2.gz LOCOSRMVBPPCCT-CABCVRRESA-N 1 0 319.405 0.133 10 0 DCAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246191503 416331679 /nfs/dbraw/zinc/33/16/79/416331679.db2.gz VNEYRDJBGPUHLE-RBSFLKMASA-N 1 0 300.443 0.815 10 0 DCAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[C@H]1C ZINC000359807071 416359595 /nfs/dbraw/zinc/35/95/95/416359595.db2.gz RHNYCCNRPUOIEN-ZWNOBZJWSA-N 1 0 314.455 0.996 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)[nH]n1 ZINC000458545053 416477673 /nfs/dbraw/zinc/47/76/73/416477673.db2.gz FLHSWKGPAZZFQP-JSGCOSHPSA-N 1 0 323.441 0.795 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)[nH]n1 ZINC000458545050 416478573 /nfs/dbraw/zinc/47/85/73/416478573.db2.gz FLHSWKGPAZZFQP-GXTWGEPZSA-N 1 0 323.441 0.795 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000583619121 416479979 /nfs/dbraw/zinc/47/99/79/416479979.db2.gz LNEKQTGQQUPGNJ-INIZCTEOSA-N 1 0 318.352 0.824 10 0 DCAERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000535804107 416532976 /nfs/dbraw/zinc/53/29/76/416532976.db2.gz QMIQEUUAMZFNIY-NSHDSACASA-N 1 0 304.329 0.649 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000538315695 416568889 /nfs/dbraw/zinc/56/88/89/416568889.db2.gz KWQDJEAKNAYCJT-UHFFFAOYSA-N 1 0 310.398 0.165 10 0 DCAERO C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H]1[NH+](C)C ZINC000607971983 416648133 /nfs/dbraw/zinc/64/81/33/416648133.db2.gz RKMXYISROROBOH-VXGBXAGGSA-N 1 0 322.409 0.260 10 0 DCAERO C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C(C)(C)C[NH+](C)C ZINC000369177388 416729902 /nfs/dbraw/zinc/72/99/02/416729902.db2.gz GDEFJLHSBLKHEN-JHJVBQTASA-N 1 0 310.442 0.883 10 0 DCAERO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000444782147 416870579 /nfs/dbraw/zinc/87/05/79/416870579.db2.gz HWYWXGIZNRBUNY-UHFFFAOYSA-N 1 0 322.453 0.237 10 0 DCAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN2CCOC[C@H]2C1 ZINC000373084658 416950329 /nfs/dbraw/zinc/95/03/29/416950329.db2.gz TWPFZTIEEAAYDE-HZPDHXFCSA-N 1 0 322.453 0.729 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000624396487 417030775 /nfs/dbraw/zinc/03/07/75/417030775.db2.gz SXROIIJTXQXHHR-STQMWFEESA-N 1 0 307.460 0.377 10 0 DCAERO C(CN1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221761 416985064 /nfs/dbraw/zinc/98/50/64/416985064.db2.gz HOOSDDQQJUAGTN-QZTJIDSGSA-N 1 0 323.481 0.940 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000624237948 416987548 /nfs/dbraw/zinc/98/75/48/416987548.db2.gz HSRKSCJDXFKPBW-BIMULSAOSA-N 1 0 300.380 0.134 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000624237951 416988969 /nfs/dbraw/zinc/98/89/69/416988969.db2.gz HSRKSCJDXFKPBW-ZWKOPEQDSA-N 1 0 300.380 0.134 10 0 DCAERO CC[NH+](CC)CCCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000448543375 417082552 /nfs/dbraw/zinc/08/25/52/417082552.db2.gz RQZULNRBPLYVQJ-INIZCTEOSA-N 1 0 309.410 0.447 10 0 DCAERO CC(=O)c1cn(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000448940357 417111595 /nfs/dbraw/zinc/11/15/95/417111595.db2.gz ZLWDEKWXUGAYLU-AWEZNQCLSA-N 1 0 319.409 0.958 10 0 DCAERO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000407993740 417133157 /nfs/dbraw/zinc/13/31/57/417133157.db2.gz SOXZAYMEVDHNLG-ZNMIVQPWSA-N 1 0 323.437 0.886 10 0 DCAERO CC(C)OCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408026108 417133995 /nfs/dbraw/zinc/13/39/95/417133995.db2.gz CKQINNJBUGFWHH-QWHCGFSZSA-N 1 0 306.428 0.146 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C(N)=O ZINC000408048748 417136334 /nfs/dbraw/zinc/13/63/34/417136334.db2.gz PIDVOBGQBSWNSC-YIYPIFLZSA-N 1 0 309.410 0.210 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408297962 417153792 /nfs/dbraw/zinc/15/37/92/417153792.db2.gz LKHCJLICELLIJY-ZDUSSCGKSA-N 1 0 321.487 0.908 10 0 DCAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1=O ZINC000408381215 417159476 /nfs/dbraw/zinc/15/94/76/417159476.db2.gz IGGXVTIKNQHKMQ-AGIUHOORSA-N 1 0 317.455 0.446 10 0 DCAERO COC(=O)c1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn1C ZINC000526102716 417182303 /nfs/dbraw/zinc/18/23/03/417182303.db2.gz YWXIVIGPVFVWRG-UHFFFAOYSA-N 1 0 324.381 0.160 10 0 DCAERO C[C@H]([NH3+])[C@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000569458104 417253924 /nfs/dbraw/zinc/25/39/24/417253924.db2.gz FTFVHOIFRKDMPB-IUCAKERBSA-N 1 0 305.425 0.268 10 0 DCAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000450728097 417260986 /nfs/dbraw/zinc/26/09/86/417260986.db2.gz JSDUDDVEXLOUPW-IOASZLSFSA-N 1 0 306.406 0.909 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CC12COC2 ZINC000451133544 417303027 /nfs/dbraw/zinc/30/30/27/417303027.db2.gz JRZAPCNCWKYPAA-KBPBESRZSA-N 1 0 324.421 0.899 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CCOC(C)C)CC12COC2 ZINC000451136398 417306636 /nfs/dbraw/zinc/30/66/36/417306636.db2.gz NRFQOBQOWLYJEI-KGLIPLIRSA-N 1 0 315.410 0.674 10 0 DCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000452615227 417493195 /nfs/dbraw/zinc/49/31/95/417493195.db2.gz QQEDQWCYXAMRLJ-UONOGXRCSA-N 1 0 324.421 0.899 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682014 417534231 /nfs/dbraw/zinc/53/42/31/417534231.db2.gz REPMHNVEFPAZGA-NDBYEHHHSA-N 1 0 300.424 0.553 10 0 DCAERO CC(=O)Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000575063793 417507593 /nfs/dbraw/zinc/50/75/93/417507593.db2.gz FSTMQCOGWDBTQZ-MRXNPFEDSA-N 1 0 306.406 0.805 10 0 DCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000249029754 287393855 /nfs/dbraw/zinc/39/38/55/287393855.db2.gz LWSZVZCJLFIHDU-ZIAGYGMSSA-N 1 0 322.471 0.520 10 0 DCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cncc(C(N)=O)n2)C1 ZINC000576893305 417647312 /nfs/dbraw/zinc/64/73/12/417647312.db2.gz KJDUNISLIBRMQT-RYUDHWBXSA-N 1 0 305.382 0.265 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000532424321 417677747 /nfs/dbraw/zinc/67/77/47/417677747.db2.gz GIRMRZGKNAKVCC-DZGCQCFKSA-N 1 0 310.442 0.979 10 0 DCAERO Cn1cc(Br)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000662767861 417897065 /nfs/dbraw/zinc/89/70/65/417897065.db2.gz XYLVRSKWKZJNSA-XKSSXDPKSA-N 1 0 313.199 0.992 10 0 DCAERO c1cc(N2CC([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)ncn1 ZINC000631748260 417933044 /nfs/dbraw/zinc/93/30/44/417933044.db2.gz AOIZKZYWNPSNMR-HNNXBMFYSA-N 1 0 303.410 0.508 10 0 DCAERO [NH3+]Cc1cc(=O)[nH]c(CNS(=O)(=O)CCC2CCC2)n1 ZINC000658409116 417960940 /nfs/dbraw/zinc/96/09/40/417960940.db2.gz ZJRGMSVNSHEBOZ-UHFFFAOYSA-N 1 0 300.384 0.251 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000648188648 418115607 /nfs/dbraw/zinc/11/56/07/418115607.db2.gz JZRDGUFLLBVPQO-GRYCIOLGSA-N 1 0 305.444 0.433 10 0 DCAERO C[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)C1CCCCC1 ZINC000111568131 261108755 /nfs/dbraw/zinc/10/87/55/261108755.db2.gz KCMCTXXXSACRRP-UHFFFAOYSA-N 1 0 310.398 0.309 10 0 DCAERO CS(=O)(=O)N[C@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000189347381 261131366 /nfs/dbraw/zinc/13/13/66/261131366.db2.gz QKCXLXZOAXMMBI-QMMMGPOBSA-N 1 0 322.324 0.527 10 0 DCAERO NC(=O)[C@H]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000192965844 261139688 /nfs/dbraw/zinc/13/96/88/261139688.db2.gz BSRPXTUTDXWMGK-HUUCEWRRSA-N 1 0 323.437 0.744 10 0 DCAERO CC(C)[NH+](CCNC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)C ZINC000192902322 261139710 /nfs/dbraw/zinc/13/97/10/261139710.db2.gz LLECCIFEEPPKIE-UHFFFAOYSA-N 1 0 312.414 0.552 10 0 DCAERO COCCN1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000194186001 261144735 /nfs/dbraw/zinc/14/47/35/261144735.db2.gz GCEDAWAGZGNDFL-HNNXBMFYSA-N 1 0 314.474 0.936 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000194145457 261145253 /nfs/dbraw/zinc/14/52/53/261145253.db2.gz HPKKVTLXVICQND-AWEZNQCLSA-N 1 0 319.409 0.595 10 0 DCAERO C[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)NC(=O)c1ccccc1 ZINC000194616078 261146947 /nfs/dbraw/zinc/14/69/47/261146947.db2.gz XKVOLOCHUAKILZ-ZFWWWQNUSA-N 1 0 319.405 0.642 10 0 DCAERO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000367962061 262143753 /nfs/dbraw/zinc/14/37/53/262143753.db2.gz KDVDESTXGHNPOW-IINYFYTJSA-N 1 0 306.391 0.994 10 0 DCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000394555240 262162874 /nfs/dbraw/zinc/16/28/74/262162874.db2.gz IHIVGPMWIWPSLW-RKDXNWHRSA-N 1 0 320.436 0.641 10 0 DCAERO COC[C@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H]1CCCO1 ZINC000434873764 271548724 /nfs/dbraw/zinc/54/87/24/271548724.db2.gz MEOVWLAHKDBEDD-UONOGXRCSA-N 1 0 308.382 0.409 10 0 DCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@](C)(O)C(=O)OC)CC2 ZINC000517254412 272463624 /nfs/dbraw/zinc/46/36/24/272463624.db2.gz CWCFPGBUPFLJDM-BZPMIXESSA-N 1 0 301.383 0.162 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)c1ccc(-n2ccnc2)nn1 ZINC000535256570 287831130 /nfs/dbraw/zinc/83/11/30/287831130.db2.gz BBZNJCNUUPFARS-UHFFFAOYSA-N 1 0 309.333 0.321 10 0 DCAERO c1cn2nnnc2c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000535837434 287845981 /nfs/dbraw/zinc/84/59/81/287845981.db2.gz GAKLMYXHEINILV-ZDUSSCGKSA-N 1 0 317.397 0.601 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261771342 276089510 /nfs/dbraw/zinc/08/95/10/276089510.db2.gz OKLLPVNGZGYYPQ-HUUCEWRRSA-N 1 0 324.469 0.374 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000172356109 276597196 /nfs/dbraw/zinc/59/71/96/276597196.db2.gz RWHNBDPTILOOSK-ZDUSSCGKSA-N 1 0 310.398 0.700 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000248965099 277019159 /nfs/dbraw/zinc/01/91/59/277019159.db2.gz NPCICAYZGBBCDK-DDHJSBNISA-N 1 0 311.426 0.205 10 0 DCAERO CNC(=O)CCC[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000155319264 277225318 /nfs/dbraw/zinc/22/53/18/277225318.db2.gz SVSBFRHBNUMDLL-LBPRGKRZSA-N 1 0 307.398 0.292 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC(N)=O)C[C@@H](c2ccccc2)O1 ZINC000248844471 287959590 /nfs/dbraw/zinc/95/95/90/287959590.db2.gz HFRWDBMDIDGMRK-XBFCOCLRSA-N 1 0 305.378 0.568 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCc2ccnc(N(C)C)n2)CC1 ZINC000545859137 288002605 /nfs/dbraw/zinc/00/26/05/288002605.db2.gz GYDYEQOZDHVJIJ-UHFFFAOYSA-N 1 0 318.425 0.994 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000329120855 278032107 /nfs/dbraw/zinc/03/21/07/278032107.db2.gz KIBJXKSIZFVTHP-XNRPHZJLSA-N 1 0 309.410 0.055 10 0 DCAERO C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)N1CCOCC1 ZINC000261777828 278135485 /nfs/dbraw/zinc/13/54/85/278135485.db2.gz SAKHGSOFQFEYCO-OAHLLOKOSA-N 1 0 305.422 0.737 10 0 DCAERO C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000126748134 278200324 /nfs/dbraw/zinc/20/03/24/278200324.db2.gz UBJGVXDNCLEBEQ-OLZOCXBDSA-N 1 0 317.455 0.547 10 0 DCAERO CC1(C)CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC[C@@H]1[NH3+] ZINC000262004831 278298526 /nfs/dbraw/zinc/29/85/26/278298526.db2.gz NTJYCGNXSWCMIS-XQQFMLRXSA-N 1 0 321.421 0.747 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000547271836 288035339 /nfs/dbraw/zinc/03/53/39/288035339.db2.gz QUQGLLJRVZSPRO-UHFFFAOYSA-N 1 0 324.425 0.187 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000547296729 288036513 /nfs/dbraw/zinc/03/65/13/288036513.db2.gz QNWDYNCPXDKHMU-MRXNPFEDSA-N 1 0 324.469 0.737 10 0 DCAERO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330249580 279010300 /nfs/dbraw/zinc/01/03/00/279010300.db2.gz MRSVYRNGIDFHBY-UMSGYPCISA-N 1 0 318.439 0.178 10 0 DCAERO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000548210918 288121520 /nfs/dbraw/zinc/12/15/20/288121520.db2.gz WDCQDFBPNBGGNB-ZQDZILKHSA-N 1 0 303.399 0.327 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cn2cccnc2n1 ZINC000548383590 288137982 /nfs/dbraw/zinc/13/79/82/288137982.db2.gz ULXASBJZHACGSG-LBPRGKRZSA-N 1 0 317.393 0.647 10 0 DCAERO COC[C@@H](O)C[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000548989054 288189433 /nfs/dbraw/zinc/18/94/33/288189433.db2.gz JYWHRXUJLCMMID-INIZCTEOSA-N 1 0 321.421 0.452 10 0 DCAERO C[C@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)[NH+]1CCCC1 ZINC000552703283 288279222 /nfs/dbraw/zinc/27/92/22/288279222.db2.gz RGNITBDCEXHXKT-GFCCVEGCSA-N 1 0 315.377 0.873 10 0 DCAERO CC1(C)CN(C(=O)C2(S(C)(=O)=O)CCCC2)CC[C@@H]1[NH3+] ZINC000261787384 281155611 /nfs/dbraw/zinc/15/56/11/281155611.db2.gz HYNFETGLWWCWQG-NSHDSACASA-N 1 0 302.440 0.930 10 0 DCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCN(S(C)(=O)=O)CC1 ZINC000261716926 288887811 /nfs/dbraw/zinc/88/78/11/288887811.db2.gz JRHGTTKANYMACC-DGCLKSJQSA-N 1 0 317.455 0.244 10 0 DCAERO C[C@H](C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262570100 289288797 /nfs/dbraw/zinc/28/87/97/289288797.db2.gz SFTDMESXSAINTI-SWLSCSKDSA-N 1 0 301.390 0.932 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H]2C1 ZINC000408058519 290167172 /nfs/dbraw/zinc/16/71/72/290167172.db2.gz BKMSSENWJZPUKS-WOPDTQHZSA-N 1 0 312.414 0.001 10 0 DCAERO CN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000248145003 290211340 /nfs/dbraw/zinc/21/13/40/290211340.db2.gz ZJQXRRCEYUVXMN-JYJNAYRXSA-N 1 0 303.406 0.879 10 0 DCAERO Cn1cc(N2CCC[C@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cn1 ZINC000172795143 294247477 /nfs/dbraw/zinc/24/74/77/294247477.db2.gz IBKKKVJVPQCZJM-HIFRSBDPSA-N 1 0 303.410 0.696 10 0 DCAERO Cn1cc([C@H]2CNCCN2C(=O)CCC2CC[NH2+]CC2)cn1 ZINC000181360594 294299598 /nfs/dbraw/zinc/29/95/98/294299598.db2.gz DAEQIINVKGTFFI-OAHLLOKOSA-N 1 0 305.426 0.673 10 0 DCAERO Cn1ccc(N2CCC[C@@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n1 ZINC000173652562 294345789 /nfs/dbraw/zinc/34/57/89/294345789.db2.gz WUDLPYGQAMPWMJ-ZIAGYGMSSA-N 1 0 303.410 0.696 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000371865190 295619641 /nfs/dbraw/zinc/61/96/41/295619641.db2.gz SFMXRVVLBDUETQ-HNNXBMFYSA-N 1 0 308.426 0.339 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000262870134 297105048 /nfs/dbraw/zinc/10/50/48/297105048.db2.gz UYVWFJFBCRNLFR-OLZOCXBDSA-N 1 0 317.455 0.306 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000262852216 300324968 /nfs/dbraw/zinc/32/49/68/300324968.db2.gz SMDZRTYKSJPKSN-WDEREUQCSA-N 1 0 310.398 0.211 10 0 DCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CN1CCCS1(=O)=O ZINC000261658397 303363883 /nfs/dbraw/zinc/36/38/83/303363883.db2.gz NMQKPCZZALCZDO-KCXRBIIJSA-N 1 0 315.439 0.044 10 0 DCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000178744452 303790188 /nfs/dbraw/zinc/79/01/88/303790188.db2.gz VCNWTYBWKCFCQR-LSDHHAIUSA-N 1 0 316.405 0.945 10 0 DCAERO COC[C@@H](C)C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000187970234 333004956 /nfs/dbraw/zinc/00/49/56/333004956.db2.gz NHNWKLJVYKBUGC-QWHCGFSZSA-N 1 0 308.444 0.347 10 0 DCAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000583866863 337360965 /nfs/dbraw/zinc/36/09/65/337360965.db2.gz KEONTFQUSHPSRQ-OLZOCXBDSA-N 1 0 301.408 0.757 10 0 DCAERO C[C@H]1CC[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)O1 ZINC000178274681 341950696 /nfs/dbraw/zinc/95/06/96/341950696.db2.gz PTHLNBCUONBUBH-GXTWGEPZSA-N 1 0 311.426 0.470 10 0 DCAERO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156563174 519891587 /nfs/dbraw/zinc/89/15/87/519891587.db2.gz WYKAKXFDDXOXMU-ZDUSSCGKSA-N 1 0 309.414 0.846 10 0 DCAERO CNC(=O)c1ccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nn1 ZINC000266838202 521830105 /nfs/dbraw/zinc/83/01/05/521830105.db2.gz KRGTXSIHRUPTHT-LBPRGKRZSA-N 1 0 321.425 0.365 10 0 DCAERO CC[C@H]1CN(C(=O)CCc2nc(C)no2)CC[N@@H+]1CCOC ZINC000117303805 523224227 /nfs/dbraw/zinc/22/42/27/523224227.db2.gz HABUNFHWFVJGDF-ZDUSSCGKSA-N 1 0 310.398 0.880 10 0 DCAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000105933535 524548934 /nfs/dbraw/zinc/54/89/34/524548934.db2.gz GCMOXQNTWCNTKT-HOCLYGCPSA-N 1 0 305.422 0.920 10 0 DCAERO Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000130506234 525328608 /nfs/dbraw/zinc/32/86/08/525328608.db2.gz ITLUXJMMXGNMBG-STQMWFEESA-N 1 0 305.378 0.557 10 0 DCAERO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000148805518 525372317 /nfs/dbraw/zinc/37/23/17/525372317.db2.gz DYDYFGJWBVGINI-NSHDSACASA-N 1 0 308.407 0.961 10 0 DCAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccon2)CC1 ZINC000237932547 526461383 /nfs/dbraw/zinc/46/13/83/526461383.db2.gz FQKWWNLVGUOFGG-AWEZNQCLSA-N 1 0 304.394 0.709 10 0 DCAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cn1)nc[nH]c2=O ZINC000188520226 526537515 /nfs/dbraw/zinc/53/75/15/526537515.db2.gz MFWKOVNRTFAOPR-JTQLQIEISA-N 1 0 313.361 0.532 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2COc3ccccc32)cn1 ZINC000262036085 527321771 /nfs/dbraw/zinc/32/17/71/527321771.db2.gz XYQDEVARFGHIIZ-ILXRZTDVSA-N 1 0 312.373 0.973 10 0 DCAERO CC(C)[C@H](O)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000157360577 527740510 /nfs/dbraw/zinc/74/05/10/527740510.db2.gz PJRPEMFRFBAKBK-CQSZACIVSA-N 1 0 306.410 0.580 10 0 DCAERO CCOC1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)C1 ZINC000299744809 528521970 /nfs/dbraw/zinc/52/19/70/528521970.db2.gz PZRWHYQQBYFKFF-QRVCZOOMSA-N 1 0 324.343 0.773 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000186770504 528633350 /nfs/dbraw/zinc/63/33/50/528633350.db2.gz SYYBXTZKEHGSDT-UHFFFAOYSA-N 1 0 312.410 0.492 10 0 DCAERO CC[C@](C)(CCO)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000153657765 529356013 /nfs/dbraw/zinc/35/60/13/529356013.db2.gz CTJKPSPVFLUDPF-OAHLLOKOSA-N 1 0 301.431 0.949 10 0 DCAERO CCn1cnc2c1ncnc2N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285110097 536133066 /nfs/dbraw/zinc/13/30/66/536133066.db2.gz QZJVHIXKRWNBNY-RYUDHWBXSA-N 1 0 302.382 0.756 10 0 DCAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244821 545734481 /nfs/dbraw/zinc/73/44/81/545734481.db2.gz JOQDJIRXWWUZPU-LBPRGKRZSA-N 1 0 309.332 0.902 10 0 DCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000136329817 545806250 /nfs/dbraw/zinc/80/62/50/545806250.db2.gz AAZIDPQFOIRXKK-GWCFXTLKSA-N 1 0 313.423 0.885 10 0 DCAERO CCCS(=O)(=O)N1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136321879 545806911 /nfs/dbraw/zinc/80/69/11/545806911.db2.gz JAFFDUGGNWCJEP-CYBMUJFWSA-N 1 0 319.471 0.680 10 0 DCAERO CCc1nnc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000171962170 545881747 /nfs/dbraw/zinc/88/17/47/545881747.db2.gz HOURHANVDLVOAX-AWEZNQCLSA-N 1 0 307.442 0.922 10 0 DCAERO COCCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000227373595 545944626 /nfs/dbraw/zinc/94/46/26/545944626.db2.gz IOFMOBKRCODXTJ-YNEHKIRRSA-N 1 0 318.439 0.024 10 0 DCAERO COc1nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncc1Br ZINC000235025383 545949863 /nfs/dbraw/zinc/94/98/63/545949863.db2.gz ZNJPBKIMELQQKF-APPZFPTMSA-N 1 0 317.187 0.800 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236788658 545952136 /nfs/dbraw/zinc/95/21/36/545952136.db2.gz MVEULBCZXOUOFS-GFCCVEGCSA-N 1 0 303.428 0.059 10 0 DCAERO O=C(COc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261897584 545977743 /nfs/dbraw/zinc/97/77/43/545977743.db2.gz ACTAHFDEOYUXEH-SKDRFNHKSA-N 1 0 318.295 0.781 10 0 DCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000262074131 545978468 /nfs/dbraw/zinc/97/84/68/545978468.db2.gz BXDSCCARNZPVGH-VHSXEESVSA-N 1 0 316.304 0.607 10 0 DCAERO CCc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cnn1-c1ccccc1 ZINC000262212247 545979979 /nfs/dbraw/zinc/97/99/79/545979979.db2.gz IWGRGPWLHFBJNH-BLLLJJGKSA-N 1 0 314.389 0.745 10 0 DCAERO C[C@@H]1Sc2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2NC1=O ZINC000262150784 545980410 /nfs/dbraw/zinc/98/04/10/545980410.db2.gz HTLGFUPXOSZQNG-MKPLZMMCSA-N 1 0 321.402 0.429 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)ccc1Br ZINC000262217282 545981313 /nfs/dbraw/zinc/98/13/13/545981313.db2.gz JFBNDNXHICNEMG-RDDDGLTNSA-N 1 0 317.158 0.898 10 0 DCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1OC(C)C ZINC000262264736 545982169 /nfs/dbraw/zinc/98/21/69/545982169.db2.gz MLGBBNIRVDUXSH-CHWSQXEVSA-N 1 0 308.378 0.793 10 0 DCAERO COc1ccc2c(c1)C=C(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)CO2 ZINC000262309007 545982453 /nfs/dbraw/zinc/98/24/53/545982453.db2.gz QIIHMUXKHBNQFC-JSGCOSHPSA-N 1 0 304.346 0.168 10 0 DCAERO O=C(Cc1ccccc1OC(F)F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262287716 545982989 /nfs/dbraw/zinc/98/29/89/545982989.db2.gz OKKLOHNJSFGGPW-WDEREUQCSA-N 1 0 300.305 0.527 10 0 DCAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262318581 545983355 /nfs/dbraw/zinc/98/33/55/545983355.db2.gz DWBIYGDMPDJIIV-YGRLFVJLSA-N 1 0 312.316 0.624 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000262355246 545984555 /nfs/dbraw/zinc/98/45/55/545984555.db2.gz UTGXCEVZRKJORG-YJNKXOJESA-N 1 0 323.437 0.112 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)n1 ZINC000262350225 545984654 /nfs/dbraw/zinc/98/46/54/545984654.db2.gz UKMIQXIEJNCWIE-HOCLYGCPSA-N 1 0 314.389 0.799 10 0 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/nfs/dbraw/zinc/09/40/27/546094027.db2.gz WKNHCJXACWIDGV-STQMWFEESA-N 1 0 308.426 0.544 10 0 DCAERO Cc1ccc2[nH]c(CNC(=O)NC[C@]3(O)CC[N@@H+](C)C3)nc2c1 ZINC000358697909 546193456 /nfs/dbraw/zinc/19/34/56/546193456.db2.gz CKTGGAGURBRUHT-MRXNPFEDSA-N 1 0 317.393 0.737 10 0 DCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000669421324 546969701 /nfs/dbraw/zinc/96/97/01/546969701.db2.gz IJEICTWHGHSAJK-YUELXQCFSA-N 1 0 316.405 0.919 10 0 DCAERO CC(C)CNC(=O)N1C[C@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675073287 547658938 /nfs/dbraw/zinc/65/89/38/547658938.db2.gz MDASJBFUZMBCAO-WCQYABFASA-N 1 0 303.428 0.190 10 0 DCAERO CC(C)CNC(=O)N1C[C@@H]2[C@@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675073288 547658992 /nfs/dbraw/zinc/65/89/92/547658992.db2.gz MDASJBFUZMBCAO-YPMHNXCESA-N 1 0 303.428 0.190 10 0 DCAERO CC[C@@H](C(=O)NC1CCN(c2nccn(C)c2=O)CC1)[NH+](C)C ZINC000681917332 548323201 /nfs/dbraw/zinc/32/32/01/548323201.db2.gz XRAAYSJFFLUAJA-ZDUSSCGKSA-N 1 0 321.425 0.206 10 0 DCAERO Cc1noc(C)c1CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000722241477 660478452 /nfs/dbraw/zinc/47/84/52/660478452.db2.gz KXHDKHINCUVSFK-NSHDSACASA-N 1 0 303.384 0.041 10 0 DCAERO CN(C)Cc1csc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000722384176 661094507 /nfs/dbraw/zinc/09/45/07/661094507.db2.gz VGMGWEKZJUXTJO-NSHDSACASA-N 1 0 318.468 0.376 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CCCNC(=O)C(F)(F)F)CC1 ZINC000180690532 665451368 /nfs/dbraw/zinc/45/13/68/665451368.db2.gz QIBARQKQQHOKGI-NSHDSACASA-N 1 0 311.348 0.444 10 0 DCAERO Cn1ncc(N2CC[C@H](CC[NH3+])C2)c(Br)c1=O ZINC000723672298 657458257 /nfs/dbraw/zinc/45/82/57/657458257.db2.gz LSZJCYSENCIHFF-QMMMGPOBSA-N 1 0 301.188 0.718 10 0 DCAERO C[C@](O)(C[NH2+][C@@H]1CCS(=O)(=O)C1)C(F)(F)C(F)(F)F ZINC000724109827 657970616 /nfs/dbraw/zinc/97/06/16/657970616.db2.gz PFEMHMDOQGPETG-RQJHMYQMSA-N 1 0 311.272 0.712 10 0 DCAERO C[C@](O)(C[NH2+]CCCS(C)(=O)=O)C(F)(F)C(F)(F)F ZINC000724116784 657987473 /nfs/dbraw/zinc/98/74/73/657987473.db2.gz ZMDYFQFSJLTJHT-ZETCQYMHSA-N 1 0 313.288 0.959 10 0 DCAERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000725028536 658032297 /nfs/dbraw/zinc/03/22/97/658032297.db2.gz WWXNNQVPCXGMGI-UHFFFAOYSA-N 1 0 302.371 0.954 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000725075351 658114926 /nfs/dbraw/zinc/11/49/26/658114926.db2.gz OIZFGSSZEMRTPG-WDEREUQCSA-N 1 0 302.421 0.726 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000725087649 658134129 /nfs/dbraw/zinc/13/41/29/658134129.db2.gz AKGNESDFNOEMFO-GFCCVEGCSA-N 1 0 306.453 0.956 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000255657388 658442150 /nfs/dbraw/zinc/44/21/50/658442150.db2.gz QUFKDDZWRUANTE-LLPBQKLSSA-N 1 0 323.418 0.879 10 0 DCAERO CC(=O)N[C@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000176719468 658563536 /nfs/dbraw/zinc/56/35/36/658563536.db2.gz QQMDNGMLHNGQPX-AWEZNQCLSA-N 1 0 309.410 0.574 10 0 DCAERO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000255839300 658663965 /nfs/dbraw/zinc/66/39/65/658663965.db2.gz FACYCEVHLFSHCJ-HIFRSBDPSA-N 1 0 317.437 0.995 10 0 DCAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](CCc2ccccn2)C1 ZINC000888077285 658717271 /nfs/dbraw/zinc/71/72/71/658717271.db2.gz ZGUHONVFQUGANX-MRXNPFEDSA-N 1 0 301.394 0.822 10 0 DCAERO O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723660356 658892614 /nfs/dbraw/zinc/89/26/14/658892614.db2.gz OYUULUVAGLBFST-MGPQQGTHSA-N 1 0 302.440 0.817 10 0 DCAERO O=S(=O)(NCc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000722220683 659378223 /nfs/dbraw/zinc/37/82/23/659378223.db2.gz UTGSDXOZGBCRIH-UHFFFAOYSA-N 1 0 310.297 0.976 10 0 DCAERO O=S(=O)(NCCCOC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000722233725 659396621 /nfs/dbraw/zinc/39/66/21/659396621.db2.gz UUQDVRNWOWKSLY-OLZOCXBDSA-N 1 0 306.428 0.244 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cncc(Br)c1 ZINC000261567772 661304632 /nfs/dbraw/zinc/30/46/32/661304632.db2.gz FBULVKGAAPGKJE-SSDOTTSWSA-N 1 0 308.201 0.730 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000249542946 661550140 /nfs/dbraw/zinc/55/01/40/661550140.db2.gz FLOPQRMWGLQZCF-IAQYHMDHSA-N 1 0 300.349 0.997 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261812977 661719434 /nfs/dbraw/zinc/71/94/34/661719434.db2.gz ZVYKRZOLXGGSLP-OIBJUYFYSA-N 1 0 316.379 0.793 10 0 DCAERO O=C(CCOC1C[NH2+]C1)NCc1ccccc1Cn1cncn1 ZINC000261822248 661729836 /nfs/dbraw/zinc/72/98/36/661729836.db2.gz YAMSCZQZIPRGAI-UHFFFAOYSA-N 1 0 315.377 0.321 10 0 DCAERO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000261889701 661797850 /nfs/dbraw/zinc/79/78/50/661797850.db2.gz BUJODFMKEUCTBU-LLVKDONJSA-N 1 0 314.411 0.169 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)C1(C)C ZINC000721263815 663285010 /nfs/dbraw/zinc/28/50/10/663285010.db2.gz YIRCCMDHIQAJTO-YRGRVCCFSA-N 1 0 305.440 0.983 10 0 DCAERO COc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000721888231 663483255 /nfs/dbraw/zinc/48/32/55/663483255.db2.gz NUQNIWBALDWQPS-MWLCHTKSSA-N 1 0 300.380 0.590 10 0 DCAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)C1 ZINC000908096057 663732897 /nfs/dbraw/zinc/73/28/97/663732897.db2.gz LSHCBFFGIVCZTR-CZUORRHYSA-N 1 0 321.425 0.737 10 0 DCAERO CC(=O)N1Cc2cccnc2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000222632731 664382933 /nfs/dbraw/zinc/38/29/33/664382933.db2.gz UIFCEMXKSSHZIW-HNNXBMFYSA-N 1 0 316.405 0.738 10 0 DCAERO CC(=O)N1Cc2cccnc2[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000222632794 664383206 /nfs/dbraw/zinc/38/32/06/664383206.db2.gz UIFCEMXKSSHZIW-OAHLLOKOSA-N 1 0 316.405 0.738 10 0 DCAERO C[NH+](C)C[C@@H]1CN(CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000172501978 664622043 /nfs/dbraw/zinc/62/20/43/664622043.db2.gz JZVOGBCOCGTJTP-CYBMUJFWSA-N 1 0 324.425 0.461 10 0 DCAERO CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000233824193 665329520 /nfs/dbraw/zinc/32/95/20/665329520.db2.gz YLHOFVHFFXKXBH-ZDUSSCGKSA-N 1 0 301.408 0.759 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)C(C)C ZINC000183681406 666092998 /nfs/dbraw/zinc/09/29/98/666092998.db2.gz BKSQYLBAVBEUTD-CYBMUJFWSA-N 1 0 306.366 0.084 10 0 DCAERO COC(=O)CCCS(=O)(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702287027 666939695 /nfs/dbraw/zinc/93/96/95/666939695.db2.gz BUAMHOQNFQSRFR-WCQYABFASA-N 1 0 304.412 0.153 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000702832835 667001467 /nfs/dbraw/zinc/00/14/67/667001467.db2.gz SCQOPSXGDVFPDQ-UPJWGTAASA-N 1 0 300.399 0.983 10 0 DCAERO O=S(=O)(c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)cc1)C(F)F ZINC000702858707 667005412 /nfs/dbraw/zinc/00/54/12/667005412.db2.gz HNPIDRXUCSSKJS-KCJUWKMLSA-N 1 0 306.334 0.675 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)C2(O)CCCCC2)C[C@@H]1n1ccnn1 ZINC000862940368 667098265 /nfs/dbraw/zinc/09/82/65/667098265.db2.gz REHQIQCSISSQJQ-OLZOCXBDSA-N 1 0 307.398 0.287 10 0 DCAERO CC[S@](=O)CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000736658707 667213895 /nfs/dbraw/zinc/21/38/95/667213895.db2.gz FGQCOJWMKKCYQE-NRFANRHFSA-N 1 0 319.471 0.555 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119850881 667215302 /nfs/dbraw/zinc/21/53/02/667215302.db2.gz CPZQHVBCGVLDQO-RYUDHWBXSA-N 1 0 305.444 0.449 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708201178 667442255 /nfs/dbraw/zinc/44/22/55/667442255.db2.gz FLWHRBYWUXXBAY-NEPJUHHUSA-N 1 0 300.424 0.996 10 0 DCAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708578463 667444294 /nfs/dbraw/zinc/44/42/94/667444294.db2.gz IZUUECOHMJSFPJ-MRXNPFEDSA-N 1 0 305.422 0.691 10 0 DCAERO [NH3+]C[C@@]1(C(=O)NCC(=O)NCc2ccccc2)CCCOC1 ZINC000710394878 667446032 /nfs/dbraw/zinc/44/60/32/667446032.db2.gz BCHYIIFMIGSXKX-INIZCTEOSA-N 1 0 305.378 0.175 10 0 DCAERO CC(C)N1C[C@@H](C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)CC1=O ZINC000886043450 667726631 /nfs/dbraw/zinc/72/66/31/667726631.db2.gz IZGIRGRWWYUQHJ-RYUDHWBXSA-N 1 0 305.382 0.613 10 0 DCAERO CCn1nccc1C[N@@H+]1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886089096 667731066 /nfs/dbraw/zinc/73/10/66/667731066.db2.gz XKIKQFBDBVNHFP-HNNXBMFYSA-N 1 0 304.398 0.601 10 0 DCAERO CC(C)(C)[S@@](=O)CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000741414828 667770367 /nfs/dbraw/zinc/77/03/67/667770367.db2.gz WIEVBJCQZHANOF-NRFANRHFSA-N 1 0 312.439 0.762 10 0 DCAERO CC1CCN(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000717046531 667828445 /nfs/dbraw/zinc/82/84/45/667828445.db2.gz JOBJVMNRCIJYLN-LLVKDONJSA-N 1 0 311.398 0.798 10 0 DCAERO Cc1noc(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717048346 667837904 /nfs/dbraw/zinc/83/79/04/667837904.db2.gz NBXCLGKVHROXSI-SECBINFHSA-N 1 0 309.338 0.815 10 0 DCAERO Cc1nn(C)c(C)c1CN1CC[NH+](CCC2OCCO2)CC1 ZINC000124188353 667923676 /nfs/dbraw/zinc/92/36/76/667923676.db2.gz HKQZEUROFFBPIZ-UHFFFAOYSA-N 1 0 308.426 0.918 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000127948328 669088559 /nfs/dbraw/zinc/08/85/59/669088559.db2.gz CTDHSVBWTHVERS-LBPRGKRZSA-N 1 0 319.471 0.935 10 0 DCAERO Cn1cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(Br)n1 ZINC000712435959 670148865 /nfs/dbraw/zinc/14/88/65/670148865.db2.gz PVKATIPDNNVXKL-VHSXEESVSA-N 1 0 301.188 0.355 10 0 DCAERO C[C@@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2Br)CCO1 ZINC000712421177 670149008 /nfs/dbraw/zinc/14/90/08/670149008.db2.gz PMAJKARHSXRWGW-SCZZXKLOSA-N 1 0 303.204 0.731 10 0 DCAERO CN(CCN1CC[NH2+]CC1)Cc1cn(C)nc1Br ZINC000712422668 670149140 /nfs/dbraw/zinc/14/91/40/670149140.db2.gz IKIZDYGULVATKF-UHFFFAOYSA-N 1 0 316.247 0.520 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000712512199 670149691 /nfs/dbraw/zinc/14/96/91/670149691.db2.gz DDMJWMPDTGXNBA-UHFFFAOYSA-N 1 0 300.428 0.800 10 0 DCAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2cnn(Cc3ccccc3)c2)CO1 ZINC000713790008 670168092 /nfs/dbraw/zinc/16/80/92/670168092.db2.gz BWQKSUDCCPUPSO-HOTGVXAUSA-N 1 0 314.389 0.911 10 0 DCAERO C[C@H](C(=O)NCC1(S(N)(=O)=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000713988815 670173409 /nfs/dbraw/zinc/17/34/09/670173409.db2.gz 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284760866 /nfs/dbraw/zinc/76/08/66/284760866.db2.gz RJLVXSOXPCUVBZ-JSGCOSHPSA-N 1 0 314.430 0.263 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875576 194153636 /nfs/dbraw/zinc/15/36/36/194153636.db2.gz CSKAIHFGBUPODN-LLVKDONJSA-N 1 0 307.398 0.519 10 0 DCAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000058234049 184092875 /nfs/dbraw/zinc/09/28/75/184092875.db2.gz HZJXHDLROSGBHQ-LLVKDONJSA-N 1 0 309.391 0.554 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000063171079 184276142 /nfs/dbraw/zinc/27/61/42/184276142.db2.gz VSXXZQFTGBFVMQ-ZETCQYMHSA-N 1 0 304.368 0.699 10 0 DCAERO O=C(Nc1cccc2c1OCO2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333101726 252679950 /nfs/dbraw/zinc/67/99/50/252679950.db2.gz DXUPORAYJXABNB-LBPRGKRZSA-N 1 0 318.377 0.927 10 0 DCAERO CCOC(=O)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000119707898 195022413 /nfs/dbraw/zinc/02/24/13/195022413.db2.gz PWULDDAIKKUKEH-LBPRGKRZSA-N 1 0 300.399 0.803 10 0 DCAERO 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/nfs/dbraw/zinc/80/60/16/395806016.db2.gz LWQSYFRMFOERES-LBPRGKRZSA-N 1 0 312.391 0.797 10 0 DCAERO Cc1ccnc2nc(C(=O)NCCCC[NH+]3CCOCC3)nn21 ZINC000048284924 395812465 /nfs/dbraw/zinc/81/24/65/395812465.db2.gz VQHXSROIVRYOEP-UHFFFAOYSA-N 1 0 318.381 0.275 10 0 DCAERO CCCNC(=O)CCNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000111836156 395814685 /nfs/dbraw/zinc/81/46/85/395814685.db2.gz RIELRBZAMKHRPH-CYBMUJFWSA-N 1 0 314.430 0.313 10 0 DCAERO CNC(=O)C1(N2CCC[C@H]2C(=O)NCc2ccccn2)CCC1 ZINC000225403663 395859305 /nfs/dbraw/zinc/85/93/05/395859305.db2.gz CZKJQKDJUWNNHS-AWEZNQCLSA-N 1 0 316.405 0.831 10 0 DCAERO CCc1nnc(CN2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC000195431618 395827144 /nfs/dbraw/zinc/82/71/44/395827144.db2.gz QZGWCKFRYLQRCB-UHFFFAOYSA-N 1 0 307.442 0.922 10 0 DCAERO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N1CCNC1=O ZINC000195515759 395830376 /nfs/dbraw/zinc/83/03/76/395830376.db2.gz ONZZMOKXMVXHIZ-LBPRGKRZSA-N 1 0 303.366 0.367 10 0 DCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000116339011 395844091 /nfs/dbraw/zinc/84/40/91/395844091.db2.gz IUFXVJUFEZCWOG-LBPRGKRZSA-N 1 0 323.418 0.297 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CCO1 ZINC000116789296 395846091 /nfs/dbraw/zinc/84/60/91/395846091.db2.gz NGHIDPSQUBVIAU-AWEZNQCLSA-N 1 0 315.377 0.670 10 0 DCAERO Cc1sc(=O)n(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000116792826 395846308 /nfs/dbraw/zinc/84/63/08/395846308.db2.gz ZRAIAPMVNNHUJW-LBPRGKRZSA-N 1 0 313.423 0.316 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCO1 ZINC000116791943 395846503 /nfs/dbraw/zinc/84/65/03/395846503.db2.gz ICUZRZYLLGZSKH-YEJXKQKISA-N 1 0 310.419 0.827 10 0 DCAERO COc1cc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccn1 ZINC000117029454 395850085 /nfs/dbraw/zinc/85/00/85/395850085.db2.gz UCMRXFCRXJCYDZ-ZDUSSCGKSA-N 1 0 308.382 0.562 10 0 DCAERO CN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271245365 395850505 /nfs/dbraw/zinc/85/05/05/395850505.db2.gz QGJTXMLYMZIDDR-CQSZACIVSA-N 1 0 316.405 0.920 10 0 DCAERO CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000237191663 395906134 /nfs/dbraw/zinc/90/61/34/395906134.db2.gz ASIPPTDGMITNEV-HNNXBMFYSA-N 1 0 322.453 0.141 10 0 DCAERO Ic1cnc(NC[C@H]2C[NH2+]CCO2)nc1 ZINC000126287993 395911905 /nfs/dbraw/zinc/91/19/05/395911905.db2.gz ICMLCLUKTHKFGG-MRVPVSSYSA-N 1 0 320.134 0.482 10 0 DCAERO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000126686204 395913794 /nfs/dbraw/zinc/91/37/94/395913794.db2.gz ITZGBTMUDGHUOJ-UONOGXRCSA-N 1 0 302.378 0.554 10 0 DCAERO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000055295134 395916250 /nfs/dbraw/zinc/91/62/50/395916250.db2.gz XZNGFFXICWHMNJ-AWEZNQCLSA-N 1 0 322.434 0.871 10 0 DCAERO Cc1c(C[NH2+]CCS(C)(=O)=O)c2ccccc2n1CC(N)=O ZINC000055393214 395918789 /nfs/dbraw/zinc/91/87/89/395918789.db2.gz KOHPBZWHVXKSMY-UHFFFAOYSA-N 1 0 323.418 0.569 10 0 DCAERO Cc1cc(=O)n2nc(CN3C[C@@H](C)[C@@H]([NH+](C)C)C3)sc2n1 ZINC000271492355 395868043 /nfs/dbraw/zinc/86/80/43/395868043.db2.gz BXPIJCZXJSKQER-KOLCDFICSA-N 1 0 307.423 0.841 10 0 DCAERO COC[C@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)OC ZINC000227713949 395870029 /nfs/dbraw/zinc/87/00/29/395870029.db2.gz QASGCQJERRECQM-JQWIXIFHSA-N 1 0 302.396 0.646 10 0 DCAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000230852181 395882413 /nfs/dbraw/zinc/88/24/13/395882413.db2.gz QKLABLUPDLQDGN-IUCAKERBSA-N 1 0 306.819 0.821 10 0 DCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000245676758 395934011 /nfs/dbraw/zinc/93/40/11/395934011.db2.gz FYPYEFNDAFBXHU-GJZGRUSLSA-N 1 0 312.458 0.690 10 0 DCAERO COC(=O)CC(C)(C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245843274 395936655 /nfs/dbraw/zinc/93/66/55/395936655.db2.gz KHVNPDNGRLEGGK-STQMWFEESA-N 1 0 314.426 0.879 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(CCO)CCOC1 ZINC000246223001 395944580 /nfs/dbraw/zinc/94/45/80/395944580.db2.gz IBPJQMYXCDQEKV-GOEBONIOSA-N 1 0 313.442 0.949 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000246319469 395947206 /nfs/dbraw/zinc/94/72/06/395947206.db2.gz DBVVCSZUYIEEBQ-WOPDTQHZSA-N 1 0 300.403 0.049 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000246473146 395951008 /nfs/dbraw/zinc/95/10/08/395951008.db2.gz CWCYKJNQOWYRNQ-BPUTZDHNSA-N 1 0 323.437 0.567 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)C1 ZINC000246473117 395951020 /nfs/dbraw/zinc/95/10/20/395951020.db2.gz QUPBFJKTUJAACL-KKUMJFAQSA-N 1 0 312.458 0.879 10 0 DCAERO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)CS(C)(=O)=O ZINC000246558212 395952850 /nfs/dbraw/zinc/95/28/50/395952850.db2.gz NDUNMESAQWOUDP-KBPBESRZSA-N 1 0 304.456 0.321 10 0 DCAERO c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CCCN(c3ncccn3)C1)CN2 ZINC000058356368 395953183 /nfs/dbraw/zinc/95/31/83/395953183.db2.gz LHGBGYYCIZKTLC-ZIAGYGMSSA-N 1 0 313.409 0.973 10 0 DCAERO CN1CCO[C@H](C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246581194 395953430 /nfs/dbraw/zinc/95/34/30/395953430.db2.gz NLSCEEFGCPQWAO-OCCSQVGLSA-N 1 0 307.369 0.851 10 0 DCAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)cn1 ZINC000246795617 395958047 /nfs/dbraw/zinc/95/80/47/395958047.db2.gz ASHOFJCVHHJUAN-VNQPRFMTSA-N 1 0 309.410 0.766 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)c1ccco1 ZINC000246951564 395961784 /nfs/dbraw/zinc/96/17/84/395961784.db2.gz DCTSJUZPEUYXJF-OLZOCXBDSA-N 1 0 320.393 0.888 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246983051 395963100 /nfs/dbraw/zinc/96/31/00/395963100.db2.gz MSTBYJRBLKSZJR-JKSUJKDBSA-N 1 0 324.469 0.834 10 0 DCAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CCO1 ZINC000247047421 395964239 /nfs/dbraw/zinc/96/42/39/395964239.db2.gz JHKITRJQXIXIRI-CHWSQXEVSA-N 1 0 306.428 0.148 10 0 DCAERO CCOC(=O)N1CCN(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247242766 395969502 /nfs/dbraw/zinc/96/95/02/395969502.db2.gz SLSPKLDUMRQSRJ-AWEZNQCLSA-N 1 0 324.425 0.067 10 0 DCAERO CN1CC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1=O ZINC000150772666 395972656 /nfs/dbraw/zinc/97/26/56/395972656.db2.gz JSEKCYWQYIPSGK-CYBMUJFWSA-N 1 0 305.378 0.588 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247472804 395974396 /nfs/dbraw/zinc/97/43/96/395974396.db2.gz RVNDBLGBMFZUCV-WOPDTQHZSA-N 1 0 303.428 0.298 10 0 DCAERO CCOc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248460393 395988683 /nfs/dbraw/zinc/98/86/83/395988683.db2.gz WKAOAMRGRKZADV-LBPRGKRZSA-N 1 0 311.407 0.949 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)C[C@@H]1C ZINC000248667495 395993828 /nfs/dbraw/zinc/99/38/28/395993828.db2.gz XAYQCRWZDZZXDI-RWMBFGLXSA-N 1 0 322.413 0.210 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCOC3(CCC3)C2)C1 ZINC000154250122 396035105 /nfs/dbraw/zinc/03/51/05/396035105.db2.gz QAHFXPYLILJLJN-CYBMUJFWSA-N 1 0 302.440 0.913 10 0 DCAERO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276984242 396041473 /nfs/dbraw/zinc/04/14/73/396041473.db2.gz ULDJDVROIZIOPI-JKSUJKDBSA-N 1 0 319.405 0.998 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261572224 396047791 /nfs/dbraw/zinc/04/77/91/396047791.db2.gz AELRZWDILHMUKG-OYNCUSHFSA-N 1 0 304.803 0.431 10 0 DCAERO C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261852849 396072553 /nfs/dbraw/zinc/07/25/53/396072553.db2.gz DPTUROHYJHZSFW-ZIAGYGMSSA-N 1 0 310.442 0.045 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000155580285 396054113 /nfs/dbraw/zinc/05/41/13/396054113.db2.gz ZNKHNUDOKDSOHT-UWVGGRQHSA-N 1 0 315.395 0.386 10 0 DCAERO [NH3+]CCc1nc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000261669576 396054754 /nfs/dbraw/zinc/05/47/54/396054754.db2.gz FVDKPWCZLAJBDF-JTQLQIEISA-N 1 0 309.313 0.784 10 0 DCAERO [NH3+][C@@H](C(=O)NCc1nncn1-c1ccccc1)C1CCOCC1 ZINC000261680598 396055426 /nfs/dbraw/zinc/05/54/26/396055426.db2.gz GVZVLHMCCHKQCI-OAHLLOKOSA-N 1 0 315.377 0.637 10 0 DCAERO Cn1nc(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1=O ZINC000261704435 396057953 /nfs/dbraw/zinc/05/79/53/396057953.db2.gz JYJPSMWPZZZOGD-UHFFFAOYSA-N 1 0 300.362 0.424 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)[C@H]2CCCOC2)C[C@H]1c1ccccc1 ZINC000261723948 396059958 /nfs/dbraw/zinc/05/99/58/396059958.db2.gz RJNRHKQENLCLOU-SOUVJXGZSA-N 1 0 310.419 0.922 10 0 DCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000156101721 396060980 /nfs/dbraw/zinc/06/09/80/396060980.db2.gz LSBJODXEXFACLA-VIFPVBQESA-N 1 0 311.363 0.129 10 0 DCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000261743433 396061412 /nfs/dbraw/zinc/06/14/12/396061412.db2.gz PLKRAQVQDXZNCX-RHSMWYFYSA-N 1 0 317.433 0.991 10 0 DCAERO CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261749962 396062151 /nfs/dbraw/zinc/06/21/51/396062151.db2.gz IXSVWNLLOOGKQE-XQQFMLRXSA-N 1 0 311.451 0.756 10 0 DCAERO COc1cc(OC)cc(OCCNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261753076 396062245 /nfs/dbraw/zinc/06/22/45/396062245.db2.gz FISQOSDMQHOQNH-UHFFFAOYSA-N 1 0 324.377 0.707 10 0 DCAERO O=C(CCOCC1CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261777802 396065065 /nfs/dbraw/zinc/06/50/65/396065065.db2.gz HFDGDTXHFZUWOL-GFCCVEGCSA-N 1 0 323.359 0.755 10 0 DCAERO CNC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261865561 396073497 /nfs/dbraw/zinc/07/34/97/396073497.db2.gz SNLIDCFBLBOJRN-AWEZNQCLSA-N 1 0 305.378 0.416 10 0 DCAERO COc1ccc(-c2noc(CCNC(=O)[C@H]3CCC[NH2+]3)n2)cn1 ZINC000261792895 396066665 /nfs/dbraw/zinc/06/66/65/396066665.db2.gz RAPMWWWFCUHOGK-LLVKDONJSA-N 1 0 317.349 0.551 10 0 DCAERO Cn1cc(C(N)=O)cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261808933 396067853 /nfs/dbraw/zinc/06/78/53/396067853.db2.gz WPYULRYKMFBVIW-UHFFFAOYSA-N 1 0 314.389 0.768 10 0 DCAERO NC(=O)c1c[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261816912 396068551 /nfs/dbraw/zinc/06/85/51/396068551.db2.gz RXXNALSGNMFQAC-KGLIPLIRSA-N 1 0 312.373 0.928 10 0 DCAERO CN(C)C(=O)[C@H]1CCCN1c1cc(N2CCOCC2)ncn1 ZINC000277485376 396070046 /nfs/dbraw/zinc/07/00/46/396070046.db2.gz PZNLBTXPOZMYJU-GFCCVEGCSA-N 1 0 305.382 0.370 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000249252832 396004676 /nfs/dbraw/zinc/00/46/76/396004676.db2.gz YBIRJZRNFHEARP-NEPJUHHUSA-N 1 0 318.377 0.019 10 0 DCAERO C[C@@H](c1nnnn1C)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000249261862 396004681 /nfs/dbraw/zinc/00/46/81/396004681.db2.gz IADWZPJFXHDJTH-UONOGXRCSA-N 1 0 307.446 0.373 10 0 DCAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249279705 396005297 /nfs/dbraw/zinc/00/52/97/396005297.db2.gz FYAPLIWOSPLDDW-DFBGVHRSSA-N 1 0 310.369 0.600 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000152469508 396010546 /nfs/dbraw/zinc/01/05/46/396010546.db2.gz FBYGQWLNSSPLSA-CYBMUJFWSA-N 1 0 318.377 0.865 10 0 DCAERO COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262015566 396090872 /nfs/dbraw/zinc/09/08/72/396090872.db2.gz WXKZLAGCXKKPIW-MNOVXSKESA-N 1 0 310.350 0.051 10 0 DCAERO CN1C(=O)c2cccn2C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000169749290 396091130 /nfs/dbraw/zinc/09/11/30/396091130.db2.gz YVNBHTPGFYEUPF-CQSZACIVSA-N 1 0 304.394 0.544 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000262034986 396092053 /nfs/dbraw/zinc/09/20/53/396092053.db2.gz ZIMKUUQWPHHUAQ-UHFFFAOYSA-N 1 0 321.812 0.851 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](O)C2CCCCC2)cn1 ZINC000262037199 396092511 /nfs/dbraw/zinc/09/25/11/396092511.db2.gz YBEPQHQRTAZRIL-PMPSAXMXSA-N 1 0 320.437 0.781 10 0 DCAERO CCOCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1C[NH+](C)C ZINC000169790830 396093472 /nfs/dbraw/zinc/09/34/72/396093472.db2.gz DNUMXBQAAADORB-GDBMZVCRSA-N 1 0 320.437 0.596 10 0 DCAERO NC(=O)[C@H]1CCC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262054063 396094628 /nfs/dbraw/zinc/09/46/28/396094628.db2.gz ZZRKDEIKJFVIJX-QWHCGFSZSA-N 1 0 319.409 0.122 10 0 DCAERO [NH3+]CC1(C(=O)NCc2ccc3c(c2)OCCO3)CCOCC1 ZINC000262071669 396095905 /nfs/dbraw/zinc/09/59/05/396095905.db2.gz GCAUXKLHDBKHRB-UHFFFAOYSA-N 1 0 306.362 0.830 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)cc1 ZINC000170858583 396098858 /nfs/dbraw/zinc/09/88/58/396098858.db2.gz IPCZGVNMGVFSKR-CQSZACIVSA-N 1 0 314.393 0.811 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000170867508 396099414 /nfs/dbraw/zinc/09/94/14/396099414.db2.gz YAYXXZQDEHMETH-QWHCGFSZSA-N 1 0 305.378 0.791 10 0 DCAERO CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)CO2 ZINC000262114959 396100315 /nfs/dbraw/zinc/10/03/15/396100315.db2.gz FNLBHNAXQZZKLM-YDHLFZDLSA-N 1 0 320.389 0.333 10 0 DCAERO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000262114696 396100365 /nfs/dbraw/zinc/10/03/65/396100365.db2.gz LBYQPOGWHXNFQP-RYUDHWBXSA-N 1 0 317.455 0.286 10 0 DCAERO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCO1 ZINC000262452555 396141789 /nfs/dbraw/zinc/14/17/89/396141789.db2.gz GGTRTDCMUDRJJA-TUVASFSCSA-N 1 0 309.410 0.271 10 0 DCAERO CCOC(=O)c1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460971 396101964 /nfs/dbraw/zinc/10/19/64/396101964.db2.gz GUQAUWUKTMQOKJ-UHFFFAOYSA-N 1 0 315.377 0.849 10 0 DCAERO O=S(=O)(c1cccnc1N1CC[NH2+]CC1)N1CCCCC1 ZINC000070458383 396102293 /nfs/dbraw/zinc/10/22/93/396102293.db2.gz RYFVJFRGPBHPRJ-UHFFFAOYSA-N 1 0 310.423 0.666 10 0 DCAERO [NH3+]CC1(C(=O)NCCC(=O)Nc2cccnc2)CCOCC1 ZINC000262131099 396102373 /nfs/dbraw/zinc/10/23/73/396102373.db2.gz GMMIPPOCPDHPCK-UHFFFAOYSA-N 1 0 306.366 0.282 10 0 DCAERO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2noc(CN)n2)CC1 ZINC000262175596 396107076 /nfs/dbraw/zinc/10/70/76/396107076.db2.gz ICWZSYZHNWORIS-KBPBESRZSA-N 1 0 322.457 0.519 10 0 DCAERO NC(=O)c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc1 ZINC000262234043 396113852 /nfs/dbraw/zinc/11/38/52/396113852.db2.gz OFWSEOYAZHJHCX-CABCVRRESA-N 1 0 324.384 0.995 10 0 DCAERO Cc1noc([C@@H](C)N2CC[NH+](CCCC(=O)NC(N)=O)CC2)n1 ZINC000171591042 396119804 /nfs/dbraw/zinc/11/98/04/396119804.db2.gz AFELJPZGBXAGOZ-SNVBAGLBSA-N 1 0 324.385 0.032 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000262308052 396121279 /nfs/dbraw/zinc/12/12/79/396121279.db2.gz CLSIZNHCDNYFCG-QWRGUYRKSA-N 1 0 324.406 0.451 10 0 DCAERO COC[C@H]([NH3+])C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000262353365 396129608 /nfs/dbraw/zinc/12/96/08/396129608.db2.gz USSLJACEOCGIGG-ZDUSSCGKSA-N 1 0 308.378 0.605 10 0 DCAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCOCC1 ZINC000261873088 396074122 /nfs/dbraw/zinc/07/41/22/396074122.db2.gz OIUPUJMHAKUVSC-CYBMUJFWSA-N 1 0 303.362 0.416 10 0 DCAERO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261894175 396076445 /nfs/dbraw/zinc/07/64/45/396076445.db2.gz GWNHETQGKVSZJO-BZUAXINKSA-N 1 0 311.470 0.844 10 0 DCAERO Cn1ncc2c1ncnc2N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261890446 396076777 /nfs/dbraw/zinc/07/67/77/396076777.db2.gz SYFOPHMHVSIIKR-MRXNPFEDSA-N 1 0 315.425 0.485 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)C1CCOCC1 ZINC000261934190 396080730 /nfs/dbraw/zinc/08/07/30/396080730.db2.gz IWDRRRQHDKMFHA-HUUCEWRRSA-N 1 0 323.437 0.601 10 0 DCAERO O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000263234141 396207433 /nfs/dbraw/zinc/20/74/33/396207433.db2.gz BIFQIRWVBUKLKF-LLVKDONJSA-N 1 0 318.295 0.781 10 0 DCAERO Cc1nc(COc2ccc(CNC[C@H]3C[NH2+]C[C@@H]3O)cc2)no1 ZINC000263234220 396207547 /nfs/dbraw/zinc/20/75/47/396207547.db2.gz NTLAWLXMNYFRLR-ZFWWWQNUSA-N 1 0 318.377 0.627 10 0 DCAERO CN(CC(=O)NC1CCC([NH3+])CC1)c1ncnc2nc[nH]c21 ZINC000262536212 396152462 /nfs/dbraw/zinc/15/24/62/396152462.db2.gz BDXUEUWVUQPYLW-UHFFFAOYSA-N 1 0 303.370 0.175 10 0 DCAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262541617 396153329 /nfs/dbraw/zinc/15/33/29/396153329.db2.gz NJLBLLVCVISOCL-MCIONIFRSA-N 1 0 312.410 0.993 10 0 DCAERO O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262553360 396154753 /nfs/dbraw/zinc/15/47/53/396154753.db2.gz UIRCJRHYLLXSLA-SCZZXKLOSA-N 1 0 320.317 0.344 10 0 DCAERO COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccccc1F ZINC000176386841 396154983 /nfs/dbraw/zinc/15/49/83/396154983.db2.gz OOFSLZYOYUFFGT-SWLSCSKDSA-N 1 0 301.358 0.943 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262605882 396161266 /nfs/dbraw/zinc/16/12/66/396161266.db2.gz ZFLHOZHMHBNDSU-FRRDWIJNSA-N 1 0 317.455 0.434 10 0 DCAERO CCc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2CC)n(C)n1 ZINC000176904814 396162324 /nfs/dbraw/zinc/16/23/24/396162324.db2.gz XFSNMOIFMNOGIB-CYBMUJFWSA-N 1 0 321.425 0.864 10 0 DCAERO Cn1nc(CC(=O)N[C@](C)(C[NH3+])C2CC2)c2ccccc2c1=O ZINC000262628700 396164233 /nfs/dbraw/zinc/16/42/33/396164233.db2.gz MWTPERWNHHZYHQ-QGZVFWFLSA-N 1 0 314.389 0.720 10 0 DCAERO COC(=O)c1cc(OC)c(S(=O)(=O)NCCC[NH3+])s1 ZINC000262728527 396176542 /nfs/dbraw/zinc/17/65/42/396176542.db2.gz CCGCKMPLVPUMPG-UHFFFAOYSA-N 1 0 308.381 0.170 10 0 DCAERO C[NH2+]CC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1OC ZINC000262790490 396182319 /nfs/dbraw/zinc/18/23/19/396182319.db2.gz RMSATWVFPIQJFK-LBPRGKRZSA-N 1 0 310.350 0.644 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262859014 396187920 /nfs/dbraw/zinc/18/79/20/396187920.db2.gz TWTKLTOPCJTNDQ-BBBLOLIVSA-N 1 0 307.316 0.511 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262914543 396191397 /nfs/dbraw/zinc/19/13/97/396191397.db2.gz GEJWQDQQMAHGHF-LBPRGKRZSA-N 1 0 303.353 0.307 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178287908 396192709 /nfs/dbraw/zinc/19/27/09/396192709.db2.gz FSVOKYFKBYZIFO-CQSZACIVSA-N 1 0 322.409 0.677 10 0 DCAERO CCOCCOCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262964438 396194667 /nfs/dbraw/zinc/19/46/67/396194667.db2.gz KRAYAROFTVYZDA-UHFFFAOYSA-N 1 0 309.366 0.367 10 0 DCAERO COc1cccc(CNC[C@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263171391 396204512 /nfs/dbraw/zinc/20/45/12/396204512.db2.gz FUKKKDUCXKYZSB-WDEREUQCSA-N 1 0 302.321 0.967 10 0 DCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(Oc2cnccn2)cc1 ZINC000263300668 396212689 /nfs/dbraw/zinc/21/26/89/396212689.db2.gz WZQSMMOKMIRCFQ-HIFRSBDPSA-N 1 0 300.362 0.939 10 0 DCAERO C[C@@H](C[S@@](C)=O)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182765338 396254123 /nfs/dbraw/zinc/25/41/23/396254123.db2.gz QAGRFIQXCIIXHL-AMXDTQDGSA-N 1 0 324.450 0.330 10 0 DCAERO COCC[NH+]1CCC(NC(=O)NCCCn2ccnn2)CC1 ZINC000182857252 396255960 /nfs/dbraw/zinc/25/59/60/396255960.db2.gz XSDZSYUZRAMNTI-UHFFFAOYSA-N 1 0 310.402 0.078 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCn2ccnn2)C1 ZINC000182904094 396256707 /nfs/dbraw/zinc/25/67/07/396256707.db2.gz MKRZHBVZGAPEQK-AWEZNQCLSA-N 1 0 308.430 0.945 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000183137805 396262410 /nfs/dbraw/zinc/26/24/10/396262410.db2.gz AAMZWIFTACECNH-JTQLQIEISA-N 1 0 300.380 0.797 10 0 DCAERO OCC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CCCCC1 ZINC000183716351 396274126 /nfs/dbraw/zinc/27/41/26/396274126.db2.gz LOJATQBEGSVRDO-CVEARBPZSA-N 1 0 300.443 0.600 10 0 DCAERO Cc1nc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)s1 ZINC000179101556 396221194 /nfs/dbraw/zinc/22/11/94/396221194.db2.gz FEKCJXOMEJTWSA-UHFFFAOYSA-N 1 0 310.423 0.606 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC000179416943 396226577 /nfs/dbraw/zinc/22/65/77/396226577.db2.gz QDZHJQNPMZXVNS-AWEZNQCLSA-N 1 0 314.426 0.487 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000185109557 396317884 /nfs/dbraw/zinc/31/78/84/396317884.db2.gz ULPNVKJVEHPYJU-OLZOCXBDSA-N 1 0 321.425 0.773 10 0 DCAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184264921 396289204 /nfs/dbraw/zinc/28/92/04/396289204.db2.gz CJVAPQHGEMQUGE-LBPRGKRZSA-N 1 0 323.422 0.927 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000184805875 396306762 /nfs/dbraw/zinc/30/67/62/396306762.db2.gz LTYGSCRZILEJGL-CABCVRRESA-N 1 0 323.441 0.760 10 0 DCAERO O=S1(=O)CCCN1c1cccc(CNC2=[NH+]CCCN2)c1 ZINC000184845691 396308774 /nfs/dbraw/zinc/30/87/74/396308774.db2.gz IVNQNMLRHACUBK-UHFFFAOYSA-N 1 0 308.407 0.665 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000185597545 396331118 /nfs/dbraw/zinc/33/11/18/396331118.db2.gz RDUAKUDOPXPKHQ-AAEUAGOBSA-N 1 0 312.414 0.016 10 0 DCAERO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCC[C@@H]4C3)n2C)n1 ZINC000283402388 396335115 /nfs/dbraw/zinc/33/51/15/396335115.db2.gz FKZDZFDUUPVJMT-CQSZACIVSA-N 1 0 315.425 0.961 10 0 DCAERO CCOC(=O)c1nn(C)cc1CNC[C@@H]1CCC[N@@H+]1CCOC ZINC000186335107 396347985 /nfs/dbraw/zinc/34/79/85/396347985.db2.gz QHONMGJNAMCYBU-AWEZNQCLSA-N 1 0 324.425 0.797 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC[N@H+](C)C1CC1 ZINC000186792483 396358625 /nfs/dbraw/zinc/35/86/25/396358625.db2.gz ITAWDYNEESHVJR-LBPRGKRZSA-N 1 0 310.442 0.138 10 0 DCAERO C[NH+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188275482 396381216 /nfs/dbraw/zinc/38/12/16/396381216.db2.gz PWUAXZGPHFIZDN-CQSZACIVSA-N 1 0 322.384 0.787 10 0 DCAERO O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CC[NH+]2CCC1CC2 ZINC000188605595 396383548 /nfs/dbraw/zinc/38/35/48/396383548.db2.gz CYYURIIAIRNBFU-WDEREUQCSA-N 1 0 319.327 0.750 10 0 DCAERO O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188692704 396384926 /nfs/dbraw/zinc/38/49/26/396384926.db2.gz NVBCVGYLDIPTSG-GXSJLCMTSA-N 1 0 314.386 0.614 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000286285260 396385944 /nfs/dbraw/zinc/38/59/44/396385944.db2.gz SSFJYXVMYIUJOK-YOEHRIQHSA-N 1 0 317.389 0.319 10 0 DCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C(=O)c2cnn(C)c2)C1 ZINC000286294685 396386414 /nfs/dbraw/zinc/38/64/14/396386414.db2.gz HSVIBDJKYQPNBN-KBPBESRZSA-N 1 0 320.393 0.315 10 0 DCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188793824 396386701 /nfs/dbraw/zinc/38/67/01/396386701.db2.gz XHQLUVYWTXMJAK-LLVKDONJSA-N 1 0 315.381 0.474 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000193090509 396443459 /nfs/dbraw/zinc/44/34/59/396443459.db2.gz ADHVCLPGWKZVTN-UHFFFAOYSA-N 1 0 322.409 0.404 10 0 DCAERO O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189780435 396399389 /nfs/dbraw/zinc/39/93/89/396399389.db2.gz RSABUYDZWKRIDF-UHFFFAOYSA-N 1 0 308.769 0.980 10 0 DCAERO COc1cccc(COC[C@H](O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191157617 396416098 /nfs/dbraw/zinc/41/60/98/396416098.db2.gz AJCFCMGHZCOEIJ-OAHLLOKOSA-N 1 0 322.405 0.737 10 0 DCAERO COCCN(C)c1ccc(C[NH2+]CCCn2ccnn2)cn1 ZINC000191587203 396422061 /nfs/dbraw/zinc/42/20/61/396422061.db2.gz NBMAIXNRVNWIDH-UHFFFAOYSA-N 1 0 304.398 0.936 10 0 DCAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CNC(=O)C2)c1 ZINC000191948327 396427741 /nfs/dbraw/zinc/42/77/41/396427741.db2.gz MKOXLJOKJYIWKY-CQSZACIVSA-N 1 0 319.405 0.722 10 0 DCAERO CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CCCOC3)CC2)CC1 ZINC000192178395 396430051 /nfs/dbraw/zinc/43/00/51/396430051.db2.gz SIMVKYWWHFMIGE-MRXNPFEDSA-N 1 0 324.469 0.834 10 0 DCAERO C[C@H](NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)C ZINC000192353167 396430643 /nfs/dbraw/zinc/43/06/43/396430643.db2.gz JQSCHDCTBDTBJF-SMDDNHRTSA-N 1 0 319.405 0.952 10 0 DCAERO Cn1c2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH]c1=O ZINC000269738709 396441844 /nfs/dbraw/zinc/44/18/44/396441844.db2.gz IYHWSKQPHKOYJZ-GFCCVEGCSA-N 1 0 300.362 0.787 10 0 DCAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000193265336 396447486 /nfs/dbraw/zinc/44/74/86/396447486.db2.gz RGPLBGIVDGUYCA-CMPLNLGQSA-N 1 0 303.362 0.958 10 0 DCAERO CC1CC[NH+](CCCNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000371889176 396479717 /nfs/dbraw/zinc/47/97/17/396479717.db2.gz VYCXPFRBFWNXKH-MRXNPFEDSA-N 1 0 324.469 0.834 10 0 DCAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000372556681 396527643 /nfs/dbraw/zinc/52/76/43/396527643.db2.gz KFYWWGKDMFTDMM-UONOGXRCSA-N 1 0 320.455 0.274 10 0 DCAERO Cn1c2ncn(CC[N@@H+]3CCCC34CCC4)c2c(=O)n(C)c1=O ZINC000373105651 396566383 /nfs/dbraw/zinc/56/63/83/396566383.db2.gz ZACYNZNMCQBPML-UHFFFAOYSA-N 1 0 317.393 0.452 10 0 DCAERO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)n1 ZINC000292940684 396577647 /nfs/dbraw/zinc/57/76/47/396577647.db2.gz JUYXHPIEFIXXTB-OAHLLOKOSA-N 1 0 304.398 0.921 10 0 DCAERO C[C@H](CN1CCOCC1)N(C)C(=O)c1cn2cccnc2n1 ZINC000581877428 396588628 /nfs/dbraw/zinc/58/86/28/396588628.db2.gz MDQOXNYWJUUMKQ-GFCCVEGCSA-N 1 0 303.366 0.522 10 0 DCAERO C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCN(C)CC1 ZINC000586756860 396662313 /nfs/dbraw/zinc/66/23/13/396662313.db2.gz NLWKOALCKIMWRN-ZDUSSCGKSA-N 1 0 308.430 0.019 10 0 DCAERO CC[C@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1C[C@H](C)O ZINC000301410256 396716424 /nfs/dbraw/zinc/71/64/24/396716424.db2.gz OPKXYLORWORYDZ-STQMWFEESA-N 1 0 306.410 0.723 10 0 DCAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cnc(N)n1 ZINC000309864394 396760020 /nfs/dbraw/zinc/76/00/20/396760020.db2.gz FALHMGXTFNQPKS-LBPRGKRZSA-N 1 0 302.382 0.497 10 0 DCAERO Cc1ncsc1CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312011312 396763943 /nfs/dbraw/zinc/76/39/43/396763943.db2.gz RXDRXBWJFRAWQZ-JTQLQIEISA-N 1 0 305.425 0.202 10 0 DCAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC000328634718 396826591 /nfs/dbraw/zinc/82/65/91/396826591.db2.gz MYNKZFVQWAHTEB-KGLIPLIRSA-N 1 0 309.410 0.922 10 0 DCAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329323557 396842869 /nfs/dbraw/zinc/84/28/69/396842869.db2.gz VCBWBHBKASMJOG-YJNKXOJESA-N 1 0 323.437 0.707 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000591085311 396874585 /nfs/dbraw/zinc/87/45/85/396874585.db2.gz NZKOOSPFNZAILK-UHFFFAOYSA-N 1 0 318.468 0.595 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000634582141 396887940 /nfs/dbraw/zinc/88/79/40/396887940.db2.gz LJNCEEOORONMLO-OCCSQVGLSA-N 1 0 319.409 0.387 10 0 DCAERO CNC(=O)[C@H]1C[N@H+](C[C@H]2CCO[C@H](C)C2)C[C@@H]1c1cnn(C)c1 ZINC000332771510 396893063 /nfs/dbraw/zinc/89/30/63/396893063.db2.gz SOXKDSDBSGUTCV-CLWVCHIJSA-N 1 0 320.437 0.997 10 0 DCAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333755073 396932315 /nfs/dbraw/zinc/93/23/15/396932315.db2.gz KJGSXVSRNBYCDV-ZDEQEGDKSA-N 1 0 308.386 0.129 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630359349 396993900 /nfs/dbraw/zinc/99/39/00/396993900.db2.gz CMNKHEIGQUAGKR-CHWSQXEVSA-N 1 0 305.444 0.401 10 0 DCAERO O=C([C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)N1CCCC1 ZINC000601073792 397000994 /nfs/dbraw/zinc/00/09/94/397000994.db2.gz PUWZKAYKSMKBPK-CABCVRRESA-N 1 0 306.410 0.578 10 0 DCAERO CC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000571660099 396976205 /nfs/dbraw/zinc/97/62/05/396976205.db2.gz BCKJLEXLAZLVRL-UHFFFAOYSA-N 1 0 321.425 0.824 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000592557867 397214929 /nfs/dbraw/zinc/21/49/29/397214929.db2.gz MXZKVHAVQWJOTA-NSHDSACASA-N 1 0 308.430 0.794 10 0 DCAERO Cc1noc(C2(C)CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000364696221 397235511 /nfs/dbraw/zinc/23/55/11/397235511.db2.gz LHCSJPAPNLYVLM-AWEZNQCLSA-N 1 0 324.425 0.425 10 0 DCAERO C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1CO ZINC000621366661 397381852 /nfs/dbraw/zinc/38/18/52/397381852.db2.gz OZQBNXXTRNNTCR-MGPQQGTHSA-N 1 0 304.456 0.608 10 0 DCAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000593876107 397465412 /nfs/dbraw/zinc/46/54/12/397465412.db2.gz VBNKSQSPUAMGAO-UTUOFQBUSA-N 1 0 310.398 0.354 10 0 DCAERO CCOCCN1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C ZINC000168049149 286084113 /nfs/dbraw/zinc/08/41/13/286084113.db2.gz XKMGYALZJYYSGC-CQSZACIVSA-N 1 0 313.442 0.324 10 0 DCAERO CCCC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069743355 158045527 /nfs/dbraw/zinc/04/55/27/158045527.db2.gz QSLBJJXAWPPQGZ-CQSZACIVSA-N 1 0 311.426 0.474 10 0 DCAERO CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089452226 158097344 /nfs/dbraw/zinc/09/73/44/158097344.db2.gz BWXYUJADABWJJG-ZWNOBZJWSA-N 1 0 311.407 0.908 10 0 DCAERO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886892 158132368 /nfs/dbraw/zinc/13/23/68/158132368.db2.gz JLUSAFMPPDPKRG-GFCCVEGCSA-N 1 0 308.382 0.273 10 0 DCAERO CC(=O)NCCC[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000111241573 158139876 /nfs/dbraw/zinc/13/98/76/158139876.db2.gz JQEOZMUYAVMWHD-UHFFFAOYSA-N 1 0 324.469 0.389 10 0 DCAERO O=C(NCCCC[NH+]1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112743446 158143953 /nfs/dbraw/zinc/14/39/53/158143953.db2.gz XWTIYNVNFDTMQB-ZDUSSCGKSA-N 1 0 306.414 0.768 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCN1C(=O)CNC1=O ZINC000113223362 158145175 /nfs/dbraw/zinc/14/51/75/158145175.db2.gz DBICZDINNMRKAY-NWDGAFQWSA-N 1 0 308.382 0.014 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1 ZINC000116793413 158167183 /nfs/dbraw/zinc/16/71/83/158167183.db2.gz KJWVUKHZWUQWIE-UONOGXRCSA-N 1 0 300.399 0.361 10 0 DCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000116887604 158167445 /nfs/dbraw/zinc/16/74/45/158167445.db2.gz NUOIPYARWOCTQT-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CCO1 ZINC000116788822 158167548 /nfs/dbraw/zinc/16/75/48/158167548.db2.gz SYSKLYOXOCFBKN-GFCCVEGCSA-N 1 0 302.378 0.894 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2cccs2)CC1 ZINC000118857038 158179757 /nfs/dbraw/zinc/17/97/57/158179757.db2.gz NHXGJXLVDBOHJJ-ZDUSSCGKSA-N 1 0 311.451 0.753 10 0 DCAERO C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443995 158187193 /nfs/dbraw/zinc/18/71/93/158187193.db2.gz ZORWKUHEUQGPPU-CHWSQXEVSA-N 1 0 300.447 0.593 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC000121619834 158212629 /nfs/dbraw/zinc/21/26/29/158212629.db2.gz ODFWJZGJADEBJH-CHWSQXEVSA-N 1 0 304.394 0.823 10 0 DCAERO CC(C)C(=O)NCCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000121796501 158215236 /nfs/dbraw/zinc/21/52/36/158215236.db2.gz ORGZYSVXJQKIJI-CYBMUJFWSA-N 1 0 314.430 0.121 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000124104878 158238803 /nfs/dbraw/zinc/23/88/03/158238803.db2.gz IUGRFSOJVUKDID-GFCCVEGCSA-N 1 0 319.409 0.875 10 0 DCAERO O=S(=O)([C@H]1CC[N@H+](CCC2OCCO2)C1)N1CCCC1 ZINC000124723405 158246407 /nfs/dbraw/zinc/24/64/07/158246407.db2.gz DKWUZMCTESSUAL-LBPRGKRZSA-N 1 0 304.412 0.249 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000127349177 158272701 /nfs/dbraw/zinc/27/27/01/158272701.db2.gz BWXXRKXJDYMZMT-LBPRGKRZSA-N 1 0 322.409 0.261 10 0 DCAERO CC[C@H]1CN(C(=O)c2c[nH]c(=O)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000132240163 158309419 /nfs/dbraw/zinc/30/94/19/158309419.db2.gz VHABWQLBNJNURM-OLZOCXBDSA-N 1 0 307.394 0.601 10 0 DCAERO CCNC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135663682 158339077 /nfs/dbraw/zinc/33/90/77/158339077.db2.gz LXVALMCXJASBRD-GFCCVEGCSA-N 1 0 303.428 0.013 10 0 DCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000167125591 158366839 /nfs/dbraw/zinc/36/68/39/158366839.db2.gz GTRQHEFLEFKJON-OAHLLOKOSA-N 1 0 311.389 0.695 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCCOC2)CC1 ZINC000171596831 158384047 /nfs/dbraw/zinc/38/40/47/158384047.db2.gz WALXDQUOEYVZTG-HNNXBMFYSA-N 1 0 312.458 0.882 10 0 DCAERO COC[C@@H](O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000171973371 158388928 /nfs/dbraw/zinc/38/89/28/158388928.db2.gz DPKMXJKPABKFOU-ZDUSSCGKSA-N 1 0 310.398 0.462 10 0 DCAERO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347270 158393797 /nfs/dbraw/zinc/39/37/97/158393797.db2.gz VYMNVVYUGYLDIR-LLVKDONJSA-N 1 0 305.430 0.751 10 0 DCAERO C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000230848051 158624988 /nfs/dbraw/zinc/62/49/88/158624988.db2.gz LFHHQPYOORSYMI-IUCAKERBSA-N 1 0 306.819 0.740 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000247067324 158677194 /nfs/dbraw/zinc/67/71/94/158677194.db2.gz ITROPVASJADONE-GXTWGEPZSA-N 1 0 304.394 0.656 10 0 DCAERO O=c1n(CCN2CC[NH2+]C[C@@H]2c2cccnc2)nc2ccccn21 ZINC000261829222 158743308 /nfs/dbraw/zinc/74/33/08/158743308.db2.gz SWNOTEWGXGCXHQ-OAHLLOKOSA-N 1 0 324.388 0.538 10 0 DCAERO [NH3+][C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000261892260 158750890 /nfs/dbraw/zinc/75/08/90/158750890.db2.gz CIYTWPJZMKKAGQ-OLZOCXBDSA-N 1 0 311.451 0.932 10 0 DCAERO C[C@]1(C[NH3+])CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000261938739 158756696 /nfs/dbraw/zinc/75/66/96/158756696.db2.gz JFCJMMJPQNGISJ-MRXNPFEDSA-N 1 0 300.362 0.594 10 0 DCAERO [NH3+]Cc1ccc(-c2noc(CCN3CCCS3(=O)=O)n2)cc1 ZINC000262064601 158769412 /nfs/dbraw/zinc/76/94/12/158769412.db2.gz RMMYRNDHRQYLJF-UHFFFAOYSA-N 1 0 322.390 0.773 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000262286978 158792383 /nfs/dbraw/zinc/79/23/83/158792383.db2.gz MSOMUZDDLPBUIQ-BDAKNGLRSA-N 1 0 317.436 0.529 10 0 DCAERO COc1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1NC(C)=O ZINC000262288601 158792592 /nfs/dbraw/zinc/79/25/92/158792592.db2.gz YGIQARKOJKMEEC-ZDUSSCGKSA-N 1 0 321.377 0.648 10 0 DCAERO COc1ccc(C(C)=O)cc1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262355178 158803026 /nfs/dbraw/zinc/80/30/26/158803026.db2.gz USYQFBBKMFSDLU-ZIAGYGMSSA-N 1 0 306.362 0.137 10 0 DCAERO Cn1nc(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c2ccccc2c1=O ZINC000262565945 158826352 /nfs/dbraw/zinc/82/63/52/158826352.db2.gz DBPQRDQZFHSOKP-RISCZKNCSA-N 1 0 314.389 0.720 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188004 158860434 /nfs/dbraw/zinc/86/04/34/158860434.db2.gz HOZJZIIUVLMYEI-AAEUAGOBSA-N 1 0 316.361 0.475 10 0 DCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000319403021 159007935 /nfs/dbraw/zinc/00/79/35/159007935.db2.gz FPSADPKUYYMCOX-RYUDHWBXSA-N 1 0 304.346 0.364 10 0 DCAERO O=C(Cn1ncc(=O)c2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328635259 159017014 /nfs/dbraw/zinc/01/70/14/159017014.db2.gz BZULKMQJCQKUJL-ZDUSSCGKSA-N 1 0 312.373 0.703 10 0 DCAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCN(C3CC3)C2=O)CC(=O)N1C ZINC000329137465 159066442 /nfs/dbraw/zinc/06/64/42/159066442.db2.gz RLNPCGYCLQDNBK-YWPYICTPSA-N 1 0 317.393 0.045 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC000329181932 159070390 /nfs/dbraw/zinc/07/03/90/159070390.db2.gz NPOGBIUGLVIZOU-JKSUJKDBSA-N 1 0 314.389 0.968 10 0 DCAERO 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/nfs/dbraw/zinc/11/88/04/159118804.db2.gz XDXHAMGATJTKBD-CQSZACIVSA-N 1 0 317.455 0.416 10 0 DCAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc([C@@H]2COCCO2)n1C ZINC000329808533 159120712 /nfs/dbraw/zinc/12/07/12/159120712.db2.gz BSTDIJAYIYQLEV-RDBSUJKOSA-N 1 0 321.425 0.966 10 0 DCAERO Cc1cccc2nc(CN3CCO[C@]4(CCOC4)C3)cc(=O)n12 ZINC000329886592 159125910 /nfs/dbraw/zinc/12/59/10/159125910.db2.gz WIAUJQQYIAPNLO-QGZVFWFLSA-N 1 0 315.373 0.994 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329903561 159127382 /nfs/dbraw/zinc/12/73/82/159127382.db2.gz QHXJAJIZRXOERF-ZDUSSCGKSA-N 1 0 317.345 0.600 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000330203642 159149693 /nfs/dbraw/zinc/14/96/93/159149693.db2.gz AZSVAQFYYCOJNR-CQDKDKBSSA-N 1 0 309.410 0.223 10 0 DCAERO Cc1ccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)cn1 ZINC000330235454 159152205 /nfs/dbraw/zinc/15/22/05/159152205.db2.gz YTPWNNZFAMSISL-ZDUSSCGKSA-N 1 0 311.407 0.532 10 0 DCAERO 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/nfs/dbraw/zinc/18/36/54/416183654.db2.gz ZPISLVZQAWQDQG-VXGBXAGGSA-N 1 0 305.330 0.729 10 0 DCAERO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000180687593 416198994 /nfs/dbraw/zinc/19/89/94/416198994.db2.gz GYEHBWYSKKNZJC-GJZGRUSLSA-N 1 0 311.426 0.517 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC000358195399 416208927 /nfs/dbraw/zinc/20/89/27/416208927.db2.gz UBHXVEIEJYGWDJ-CQSZACIVSA-N 1 0 323.441 0.728 10 0 DCAERO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000182045689 416213417 /nfs/dbraw/zinc/21/34/17/416213417.db2.gz BVCVCCICEBSRIW-HIFRSBDPSA-N 1 0 318.421 0.653 10 0 DCAERO C[C@@H]1CC[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000182377674 416220618 /nfs/dbraw/zinc/22/06/18/416220618.db2.gz BACBITDTKZXUFQ-NEPJUHHUSA-N 1 0 319.409 0.554 10 0 DCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000178327749 416160441 /nfs/dbraw/zinc/16/04/41/416160441.db2.gz PIJUKMLWGCSUAU-ZDUSSCGKSA-N 1 0 305.382 0.644 10 0 DCAERO COC(=O)c1coc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000183589965 416246780 /nfs/dbraw/zinc/24/67/80/416246780.db2.gz UITRJONNEUZRHE-UHFFFAOYSA-N 1 0 323.393 0.776 10 0 DCAERO CNC(=O)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000183568213 416247678 /nfs/dbraw/zinc/24/76/78/416247678.db2.gz UZHPXSAFEVWJCH-HUUCEWRRSA-N 1 0 319.405 0.133 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000331042360 416255206 /nfs/dbraw/zinc/25/52/06/416255206.db2.gz RILUIOCTJZCMSP-HNNXBMFYSA-N 1 0 324.469 0.530 10 0 DCAERO CCOc1cnc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000186934185 416259610 /nfs/dbraw/zinc/25/96/10/416259610.db2.gz GNXDHWQKYQJPQT-LBPRGKRZSA-N 1 0 308.382 0.452 10 0 DCAERO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000187195094 416261464 /nfs/dbraw/zinc/26/14/64/416261464.db2.gz IPJHXCULYNYGOP-LBPRGKRZSA-N 1 0 306.414 0.719 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1C ZINC000190049289 416273777 /nfs/dbraw/zinc/27/37/77/416273777.db2.gz 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/nfs/dbraw/zinc/33/64/44/416336444.db2.gz NSLCRQMOUSBGHN-STQMWFEESA-N 1 0 311.426 0.505 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)CC[NH2+]1 ZINC000262326677 416336686 /nfs/dbraw/zinc/33/66/86/416336686.db2.gz DOFGJKMIKXXWPX-SOUVJXGZSA-N 1 0 323.437 0.614 10 0 DCAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000359740849 416355960 /nfs/dbraw/zinc/35/59/60/416355960.db2.gz ALVPRBCGRCKWMS-YOEHRIQHSA-N 1 0 323.437 0.836 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])c(Cl)c1 ZINC000195300345 416326004 /nfs/dbraw/zinc/32/60/04/416326004.db2.gz DUEVPYGUXFNISU-SSDOTTSWSA-N 1 0 306.771 0.752 10 0 DCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237912539 416329150 /nfs/dbraw/zinc/32/91/50/416329150.db2.gz GTFLAQDWJBIXKD-KBPBESRZSA-N 1 0 319.430 0.520 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000237954097 416329300 /nfs/dbraw/zinc/32/93/00/416329300.db2.gz CAVXOAKEPCJSFG-BFHYXJOUSA-N 1 0 309.410 0.211 10 0 DCAERO 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/nfs/dbraw/zinc/47/98/12/416479812.db2.gz ZRFQUAPHBYVTBL-STQMWFEESA-N 1 0 324.812 0.761 10 0 DCAERO CCN(CC)C(=O)CN1CCCN(Cc2cnnn2CC)CC1 ZINC000459300068 416531482 /nfs/dbraw/zinc/53/14/82/416531482.db2.gz CAWDKUYJHVXWEB-UHFFFAOYSA-N 1 0 322.457 0.674 10 0 DCAERO Cc1nc(CN(C)C(=O)Nc2ccnn2CC[NH+](C)C)no1 ZINC000436491214 416560191 /nfs/dbraw/zinc/56/01/91/416560191.db2.gz WARHYBACTRLVTH-UHFFFAOYSA-N 1 0 307.358 0.800 10 0 DCAERO CC(=O)N1CCC(CNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000535261978 416519709 /nfs/dbraw/zinc/51/97/09/416519709.db2.gz SJBYRXPHUVERCA-UHFFFAOYSA-N 1 0 319.409 0.473 10 0 DCAERO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)[nH]1 ZINC000540866385 416594148 /nfs/dbraw/zinc/59/41/48/416594148.db2.gz OABPIPJRPCFNNX-QLFBSQMISA-N 1 0 324.425 0.849 10 0 DCAERO C[C@H](Sc1nnnn1C1CC1)C(=O)N(C)CCC[NH+](C)C ZINC000539418100 416580620 /nfs/dbraw/zinc/58/06/20/416580620.db2.gz QWKZQEGDTSYDDD-JTQLQIEISA-N 1 0 312.443 0.899 10 0 DCAERO C[N@H+](CCCO)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000440954958 416656150 /nfs/dbraw/zinc/65/61/50/416656150.db2.gz GLSRXHYVSRMHQE-UHFFFAOYSA-N 1 0 309.385 0.789 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)Nc2nnc3ccccn32)CC1 ZINC000545870623 416676012 /nfs/dbraw/zinc/67/60/12/416676012.db2.gz RCMVPMJFCJHYEX-UHFFFAOYSA-N 1 0 300.366 1.503 10 0 DCAERO CC(=O)c1cn(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000614970766 416732107 /nfs/dbraw/zinc/73/21/07/416732107.db2.gz ZYQZGSXKHLTELT-UHFFFAOYSA-N 1 0 305.382 0.425 10 0 DCAERO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557378077 416732997 /nfs/dbraw/zinc/73/29/97/416732997.db2.gz QEXOIPCIROSPGX-GFCCVEGCSA-N 1 0 315.377 0.731 10 0 DCAERO C[N@H+](CCNC(=O)N1CCCN(c2cccnn2)CC1)C1CC1 ZINC000369606755 416801602 /nfs/dbraw/zinc/80/16/02/416801602.db2.gz GXTOXDULDCJQRE-UHFFFAOYSA-N 1 0 318.425 0.793 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000624396607 417030851 /nfs/dbraw/zinc/03/08/51/417030851.db2.gz ZMPLSLISWUMYQC-UHFFFAOYSA-N 1 0 308.350 0.821 10 0 DCAERO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000520511818 416967938 /nfs/dbraw/zinc/96/79/38/416967938.db2.gz OKMANXZFVKLHLX-HUUCEWRRSA-N 1 0 311.426 0.350 10 0 DCAERO CC(=O)c1cn(CC(=O)NCC[N@@H+](C)C2CCCCC2)nn1 ZINC000448806588 417097351 /nfs/dbraw/zinc/09/73/51/417097351.db2.gz UEIANUXXKVWZOU-UHFFFAOYSA-N 1 0 307.398 0.861 10 0 DCAERO CC(=O)c1cn(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nn1 ZINC000448932519 417111270 /nfs/dbraw/zinc/11/12/70/417111270.db2.gz JOMXLDYFEUQOIX-VXGBXAGGSA-N 1 0 307.398 0.860 10 0 DCAERO COCC[NH2+]CCNC(=O)c1nscc1Br ZINC000404791267 417120443 /nfs/dbraw/zinc/12/04/43/417120443.db2.gz FFEAADMVURQMKQ-UHFFFAOYSA-N 1 0 308.201 0.871 10 0 DCAERO c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1nnnn1Cc1ccccc1 ZINC000404955523 417120503 /nfs/dbraw/zinc/12/05/03/417120503.db2.gz SDALRKLCXRYYID-CQSZACIVSA-N 1 0 324.392 0.828 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000405852817 417122911 /nfs/dbraw/zinc/12/29/11/417122911.db2.gz KEZQPOCJDFUPFQ-ZWNOBZJWSA-N 1 0 302.371 0.810 10 0 DCAERO CC(C)CN(C)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408029244 417132039 /nfs/dbraw/zinc/13/20/39/417132039.db2.gz SMMLSAPLKLSJLJ-QWHCGFSZSA-N 1 0 305.444 0.224 10 0 DCAERO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408433566 417161664 /nfs/dbraw/zinc/16/16/64/417161664.db2.gz MPCHNJLUUGGNNO-ZOBORPQBSA-N 1 0 311.426 0.192 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)C2(S(C)(=O)=O)CCC2)CC[N@@H+]1C ZINC000408313669 417154675 /nfs/dbraw/zinc/15/46/75/417154675.db2.gz LMVSJBHZZIGRCC-NWDGAFQWSA-N 1 0 302.440 0.895 10 0 DCAERO Cc1nn(C)cc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000450981728 417290638 /nfs/dbraw/zinc/29/06/38/417290638.db2.gz AQMOIJKLFYMCSX-GFCCVEGCSA-N 1 0 308.426 0.575 10 0 DCAERO Cc1ccc(F)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528056480 417299135 /nfs/dbraw/zinc/29/91/35/417299135.db2.gz IIHVVJWBBBDUQY-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633038113 417330630 /nfs/dbraw/zinc/33/06/30/417330630.db2.gz NYFSRFXRJZRTRQ-PWSUYJOCSA-N 1 0 318.377 0.556 10 0 DCAERO Cc1nc(NC[C@H](O)C(F)F)cc(NC[C@H](O)C(F)F)[nH+]1 ZINC000572082507 417453534 /nfs/dbraw/zinc/45/35/34/417453534.db2.gz LZJPDENEKZFAMF-BQBZGAKWSA-N 1 0 312.267 0.861 10 0 DCAERO CC(=O)c1ccc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000623055570 417534798 /nfs/dbraw/zinc/53/47/98/417534798.db2.gz XCHWOHCZYJPLMP-UHFFFAOYSA-N 1 0 318.377 0.785 10 0 DCAERO C[C@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1C[NH3+] ZINC000638904248 417581651 /nfs/dbraw/zinc/58/16/51/417581651.db2.gz PYTRYQQRDRBRRX-JGVFFNPUSA-N 1 0 301.188 0.849 10 0 DCAERO CC[C@](COC)(NC(=O)CC1CC[NH+](C)CC1)C(=O)OC ZINC000457298533 417703418 /nfs/dbraw/zinc/70/34/18/417703418.db2.gz WHFZHFPNRTYLBJ-OAHLLOKOSA-N 1 0 300.399 0.803 10 0 DCAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CCNCC1=O ZINC000646293741 417829339 /nfs/dbraw/zinc/82/93/39/417829339.db2.gz FBBXGKRWGCXRJC-CQSZACIVSA-N 1 0 318.421 0.055 10 0 DCAERO CO[C@@H]1C[C@@H](CO)N(C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652271655 417877621 /nfs/dbraw/zinc/87/76/21/417877621.db2.gz SMDVHAZISJOMOI-QWHCGFSZSA-N 1 0 311.357 0.576 10 0 DCAERO Cc1nn(C)cc1CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000640866209 417933396 /nfs/dbraw/zinc/93/33/96/417933396.db2.gz KGBKIZNXOPVBDC-KFWWJZLASA-N 1 0 306.410 0.375 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654789331 418189738 /nfs/dbraw/zinc/18/97/38/418189738.db2.gz MDVNETZRIZBSNJ-DGCLKSJQSA-N 1 0 313.365 0.366 10 0 DCAERO Cc1nc(NCCC2CC[NH2+]CC2)sc1S(N)(=O)=O ZINC000650309890 418304916 /nfs/dbraw/zinc/30/49/16/418304916.db2.gz BOMCJRKOYILSEU-UHFFFAOYSA-N 1 0 304.441 0.322 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1C ZINC000181278473 545903014 /nfs/dbraw/zinc/90/30/14/545903014.db2.gz IVJMCJCOMZGZGA-QWHCGFSZSA-N 1 0 307.442 0.970 10 0 DCAERO C[N@H+](CCN1CCN(CC(N)=O)CC1)Cc1ccc(F)cc1 ZINC000181771263 545904102 /nfs/dbraw/zinc/90/41/02/545904102.db2.gz NGTXEBQYCXPHOD-UHFFFAOYSA-N 1 0 308.401 0.360 10 0 DCAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000227801638 545944208 /nfs/dbraw/zinc/94/42/08/545944208.db2.gz CEOIHGMZMTZROP-ZMLRMANQSA-N 1 0 311.407 0.639 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000179254769 261112030 /nfs/dbraw/zinc/11/20/30/261112030.db2.gz OVZCBNQHYYFMPA-QWHCGFSZSA-N 1 0 319.471 0.839 10 0 DCAERO COCC[N@H+](C)CCNC(=O)C1CCC(C(=O)OC)CC1 ZINC000179490586 261112695 /nfs/dbraw/zinc/11/26/95/261112695.db2.gz NDVFQWXSYXLKPP-UHFFFAOYSA-N 1 0 300.399 0.660 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1 ZINC000188022227 261126042 /nfs/dbraw/zinc/12/60/42/261126042.db2.gz LJVFGMRFZXYZBB-CZUORRHYSA-N 1 0 311.426 0.160 10 0 DCAERO CO[C@H]1C[N@H+](CC(=O)NC2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC000189307812 261131478 /nfs/dbraw/zinc/13/14/78/261131478.db2.gz CYVNYNSMOXOYST-WFASDCNBSA-N 1 0 311.426 0.470 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000189347358 261131638 /nfs/dbraw/zinc/13/16/38/261131638.db2.gz QKCXLXZOAXMMBI-MRVPVSSYSA-N 1 0 322.324 0.527 10 0 DCAERO CN1CCN(c2ncc(C[NH2+]CC3(CCO)CC3)cn2)CC1 ZINC000189994486 261133393 /nfs/dbraw/zinc/13/33/93/261133393.db2.gz QZABEFLDXHXNEC-UHFFFAOYSA-N 1 0 305.426 0.481 10 0 DCAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CNC(=O)C1 ZINC000194878764 261149616 /nfs/dbraw/zinc/14/96/16/261149616.db2.gz DSPWSARRYAABOH-CYBMUJFWSA-N 1 0 307.369 0.852 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000342117023 261185877 /nfs/dbraw/zinc/18/58/77/261185877.db2.gz SQRUGLDRWULTPD-XJKCOSOUSA-N 1 0 308.426 0.781 10 0 DCAERO Cn1c(C[NH+]2CCC(C3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000362176797 262006301 /nfs/dbraw/zinc/00/63/01/262006301.db2.gz CFGWJXXOWITRRY-UHFFFAOYSA-N 1 0 321.421 0.723 10 0 DCAERO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000359155555 271100874 /nfs/dbraw/zinc/10/08/74/271100874.db2.gz QGJPLODMXXIIEF-GXTWGEPZSA-N 1 0 308.426 0.733 10 0 DCAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367489915 271210046 /nfs/dbraw/zinc/21/00/46/271210046.db2.gz QCWJGPYFGXIZKS-DVZHBHJUSA-N 1 0 311.426 0.382 10 0 DCAERO C[C@@H](CCNC(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCCCC1 ZINC000458654271 271967414 /nfs/dbraw/zinc/96/74/14/271967414.db2.gz OPRJZOIZTPSXSN-UONOGXRCSA-N 1 0 324.429 0.203 10 0 DCAERO Cc1ncc(C[NH2+]C[C@H](O)Cn2ccnn2)n1-c1ccccc1 ZINC000459687795 272003709 /nfs/dbraw/zinc/00/37/09/272003709.db2.gz BOUQHYNZKPEWJG-INIZCTEOSA-N 1 0 312.377 0.923 10 0 DCAERO CCc1nnc2ccc(NC[C@H](O)C[NH+]3CCCCC3)nn21 ZINC000174684656 273777288 /nfs/dbraw/zinc/77/72/88/273777288.db2.gz IXESNLVVICHLRV-LBPRGKRZSA-N 1 0 304.398 0.945 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(N)=O)C[C@H](c2ccc(F)cc2)O1 ZINC000193265820 274329066 /nfs/dbraw/zinc/32/90/66/274329066.db2.gz HYMMMOOLVMQJFJ-LERXQTSPSA-N 1 0 323.368 0.707 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000533811861 287801400 /nfs/dbraw/zinc/80/14/00/287801400.db2.gz KIZTYFMSQZYZAM-CYBMUJFWSA-N 1 0 315.381 0.130 10 0 DCAERO OCCOC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533799586 287801449 /nfs/dbraw/zinc/80/14/49/287801449.db2.gz SOZOQDJZNKIKKH-DZGCQCFKSA-N 1 0 303.399 0.016 10 0 DCAERO C(N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1nnc2n1CCCC2 ZINC000261956940 275395329 /nfs/dbraw/zinc/39/53/29/275395329.db2.gz OZZBPTAMNCXNHX-BFHYXJOUSA-N 1 0 305.426 0.861 10 0 DCAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262022588 275446981 /nfs/dbraw/zinc/44/69/81/275446981.db2.gz WTPKGMRHNSYLIL-GVDBMIGSSA-N 1 0 309.454 0.992 10 0 DCAERO CCN(C)C(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262269705 276068732 /nfs/dbraw/zinc/06/87/32/276068732.db2.gz MTSPINYPGUAVKN-ZIAGYGMSSA-N 1 0 305.378 0.089 10 0 DCAERO CC1=C(C(=O)N2CC[C@H]([NH+](C)C)C2)[C@H](C)n2ncnc2N1C ZINC000195221078 276174671 /nfs/dbraw/zinc/17/46/71/276174671.db2.gz QQYFYDBQWNEHJF-RYUDHWBXSA-N 1 0 304.398 0.725 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000246055984 276375114 /nfs/dbraw/zinc/37/51/14/276375114.db2.gz AIKLGXVWVISWLU-OWCLPIDISA-N 1 0 324.469 0.833 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2nc3ccccn3n2)CCO1 ZINC000184428199 276804785 /nfs/dbraw/zinc/80/47/85/276804785.db2.gz CGIZZYFEUHRRSA-NSHDSACASA-N 1 0 304.354 0.524 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000094345624 277081720 /nfs/dbraw/zinc/08/17/20/277081720.db2.gz HMDUQUNZYGDISX-HZMBPMFUSA-N 1 0 311.407 0.921 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246665361 277223242 /nfs/dbraw/zinc/22/32/42/277223242.db2.gz GBDPVNYSSWSXPL-STQMWFEESA-N 1 0 322.413 0.003 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112750221 277223289 /nfs/dbraw/zinc/22/32/89/277223289.db2.gz GBDPVNYSSWSXPL-OLZOCXBDSA-N 1 0 322.413 0.003 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1C(=O)CCC1=O ZINC000114021136 277478374 /nfs/dbraw/zinc/47/83/74/277478374.db2.gz MBKCGWJMFYQYCU-GFCCVEGCSA-N 1 0 312.414 0.411 10 0 DCAERO CC(=O)NC1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCCCC1 ZINC000116791478 278080373 /nfs/dbraw/zinc/08/03/73/278080373.db2.gz RTLRWZPNOVUTLE-AWEZNQCLSA-N 1 0 311.426 0.614 10 0 DCAERO OCCO[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000547749299 288075388 /nfs/dbraw/zinc/07/53/88/288075388.db2.gz VMLSFSGIYNITAA-KFWWJZLASA-N 1 0 303.399 0.016 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000548122808 288113919 /nfs/dbraw/zinc/11/39/19/288113919.db2.gz HCUWQAOBHAUCJY-VXGBXAGGSA-N 1 0 312.439 0.980 10 0 DCAERO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000548603849 288158763 /nfs/dbraw/zinc/15/87/63/288158763.db2.gz XLCKBYQVIVVGNF-HZSPNIEDSA-N 1 0 316.442 0.778 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247224124 280099164 /nfs/dbraw/zinc/09/91/64/280099164.db2.gz WKIQJSZOYNDWOJ-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2cc(C)on2)CC1 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0.959 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000125083627 289315408 /nfs/dbraw/zinc/31/54/08/289315408.db2.gz CQKFAFHPBDZMHJ-MNOVXSKESA-N 1 0 305.444 0.113 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000261811823 297054107 /nfs/dbraw/zinc/05/41/07/297054107.db2.gz SMPMNTJIGAOEJD-FRRDWIJNSA-N 1 0 303.428 0.026 10 0 DCAERO NC(=O)C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CCOCC1 ZINC000181948550 295057200 /nfs/dbraw/zinc/05/72/00/295057200.db2.gz GQPHBOBYUOSIAN-ZOBUZTSGSA-N 1 0 304.390 0.905 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)O1 ZINC000261905562 295275047 /nfs/dbraw/zinc/27/50/47/295275047.db2.gz WYJNFFKYUMJTQC-WXHSDQCUSA-N 1 0 324.402 0.528 10 0 DCAERO [NH3+][C@H](C(=O)N1CCCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000261887448 295327260 /nfs/dbraw/zinc/32/72/60/295327260.db2.gz VENJIJUFPKVESR-LBPRGKRZSA-N 1 0 323.359 0.837 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408180633 298625444 /nfs/dbraw/zinc/62/54/44/298625444.db2.gz UCEMNWOMYVKVPR-PWSUYJOCSA-N 1 0 310.316 0.480 10 0 DCAERO NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000408216808 303442016 /nfs/dbraw/zinc/44/20/16/303442016.db2.gz WSHJFQZIUHMHCD-QWHCGFSZSA-N 1 0 315.439 0.140 10 0 DCAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000178393117 303843888 /nfs/dbraw/zinc/84/38/88/303843888.db2.gz TXSGIINMJQENFE-HUUCEWRRSA-N 1 0 316.405 0.945 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC000170864658 332891604 /nfs/dbraw/zinc/89/16/04/332891604.db2.gz MYQVUHVFXNMBSP-SECBINFHSA-N 1 0 311.304 0.828 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000037536793 337365223 /nfs/dbraw/zinc/36/52/23/337365223.db2.gz SYELFDOYCPIRQF-UHFFFAOYSA-N 1 0 310.379 0.229 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CCO[C@H]2C)CC1 ZINC000576117890 341827800 /nfs/dbraw/zinc/82/78/00/341827800.db2.gz LHMYCPVSXWFTFD-BBRMVZONSA-N 1 0 313.442 0.948 10 0 DCAERO 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CC(C)[C@@H]1C(=O)NCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066498754 545659076 /nfs/dbraw/zinc/65/90/76/545659076.db2.gz ZJLDMYNWLKDQQH-MRXNPFEDSA-N 1 0 322.453 0.186 10 0 DCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089453542 545713191 /nfs/dbraw/zinc/71/31/91/545713191.db2.gz FAWZLUBCJDMJOL-GXFFZTMASA-N 1 0 311.407 0.908 10 0 DCAERO CC1(OCC(=O)Nc2ccccc2NS(C)(=O)=O)C[NH2+]C1 ZINC000098060715 545729313 /nfs/dbraw/zinc/72/93/13/545729313.db2.gz WZTQJLWTSYOIOL-UHFFFAOYSA-N 1 0 313.379 0.375 10 0 DCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000150862361 545811364 /nfs/dbraw/zinc/81/13/64/545811364.db2.gz BDUXDBFPANCIGT-MELADBBJSA-N 1 0 309.410 0.211 10 0 DCAERO CCC[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[NH+](C)C ZINC000161560931 545868183 /nfs/dbraw/zinc/86/81/83/545868183.db2.gz JAFUKBCKFPZWSO-VXGBXAGGSA-N 1 0 305.444 0.257 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2CO)C1 ZINC000253169960 545975569 /nfs/dbraw/zinc/97/55/69/545975569.db2.gz 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545983577 /nfs/dbraw/zinc/98/35/77/545983577.db2.gz SWPGISUSKAPWNI-ZYHUDNBSSA-N 1 0 313.195 0.688 10 0 DCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)N1CCc2ccccc2C1 ZINC000262334660 545983951 /nfs/dbraw/zinc/98/39/51/545983951.db2.gz SNNUJOKVFHQGBU-KCXAZCMYSA-N 1 0 303.406 0.130 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000333137782 546072388 /nfs/dbraw/zinc/07/23/88/546072388.db2.gz BVIPXXOPZPMZCO-NWDGAFQWSA-N 1 0 304.398 0.307 10 0 DCAERO CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333784514 546091725 /nfs/dbraw/zinc/09/17/25/546091725.db2.gz FDYRLOGRDQSFGT-BBZRCZKMSA-N 1 0 309.410 0.430 10 0 DCAERO O=C(c1cc(Br)c[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405341838 546229918 /nfs/dbraw/zinc/22/99/18/546229918.db2.gz INQZUAVXGRKIIQ-VHSXEESVSA-N 1 0 314.183 0.668 10 0 DCAERO CN(C)S(=O)(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000586583346 546303853 /nfs/dbraw/zinc/30/38/53/546303853.db2.gz GJDOCVAERLYZLL-UHFFFAOYSA-N 1 0 314.411 0.196 10 0 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/nfs/dbraw/zinc/04/36/76/658043676.db2.gz CTFUXDUBVOBWIV-JTQLQIEISA-N 1 0 315.464 0.498 10 0 DCAERO COc1ccc(OCCN(C)S(=O)(=O)C2C[NH2+]C2)cc1 ZINC000722237039 659400354 /nfs/dbraw/zinc/40/03/54/659400354.db2.gz BUOQROUHRKVCDR-UHFFFAOYSA-N 1 0 300.380 0.307 10 0 DCAERO COCC[NH2+]CCNS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000193364938 659437779 /nfs/dbraw/zinc/43/77/79/659437779.db2.gz HSBRFMHWPMNTEL-IZZDOVSWSA-N 1 0 302.371 0.952 10 0 DCAERO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261867773 661764672 /nfs/dbraw/zinc/76/46/72/661764672.db2.gz ZGRLGMNQZVSMQT-SNVBAGLBSA-N 1 0 320.436 0.366 10 0 DCAERO COc1ccc(OCCNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261868409 661765151 /nfs/dbraw/zinc/76/51/51/661765151.db2.gz SSIJZFMKLQQHHH-HNNXBMFYSA-N 1 0 308.378 0.944 10 0 DCAERO CCN1CCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2F)CC1 ZINC000261933842 661869330 /nfs/dbraw/zinc/86/93/30/661869330.db2.gz DNGWUDPEKOCHAX-UHFFFAOYSA-N 1 0 320.412 0.917 10 0 DCAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000237211476 662086106 /nfs/dbraw/zinc/08/61/06/662086106.db2.gz FSPRJLJPPPNFAZ-LBPRGKRZSA-N 1 0 303.366 0.681 10 0 DCAERO Cn1nccc1C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896488723 662274058 /nfs/dbraw/zinc/27/40/58/662274058.db2.gz HLRLAWWOGUMGTN-HNNXBMFYSA-N 1 0 318.421 0.847 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728155020 662358274 /nfs/dbraw/zinc/35/82/74/662358274.db2.gz OHEUISNSJKFKJL-QLFBSQMISA-N 1 0 315.410 0.628 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc(OC)c1 ZINC000163463193 662846486 /nfs/dbraw/zinc/84/64/86/662846486.db2.gz VBWFXYOZFAPCFF-GOEBONIOSA-N 1 0 322.405 0.956 10 0 DCAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2COC[C@@H]2O)C1 ZINC000323426468 663043645 /nfs/dbraw/zinc/04/36/45/663043645.db2.gz PQOLVDIWMZCBRQ-UPJWGTAASA-N 1 0 300.399 0.983 10 0 DCAERO CN(C)C(=O)c1c[nH]nc1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000898798011 663108199 /nfs/dbraw/zinc/10/81/99/663108199.db2.gz WRSFFPVTMVSEHE-LBPRGKRZSA-N 1 0 305.382 0.924 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)NCCN=S2(=O)CCCC2)N(C)C1 ZINC000912039884 664134429 /nfs/dbraw/zinc/13/44/29/664134429.db2.gz QODPLVBRYLTYGD-RYUDHWBXSA-N 1 0 303.428 0.084 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349057661 664355385 /nfs/dbraw/zinc/35/53/85/664355385.db2.gz RNRRYMPLASHRHQ-FZMZJTMJSA-N 1 0 320.418 0.758 10 0 DCAERO CC(C)C(=O)Nc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC000222561451 664382220 /nfs/dbraw/zinc/38/22/20/664382220.db2.gz MUCFFBIKPBSWMD-CYBMUJFWSA-N 1 0 319.409 0.839 10 0 DCAERO CC[NH+](CC)CCNC(=O)[C@@H]1CN(C(C)=O)Cc2cccnc21 ZINC000222654743 664385581 /nfs/dbraw/zinc/38/55/81/664385581.db2.gz BLSWYVADIFHTCQ-OAHLLOKOSA-N 1 0 318.421 0.985 10 0 DCAERO Cc1c(C(=O)N(C(=O)[C@@H]2CCC[NH2+]C2)C2CC2)nn2c1OCC2 ZINC000223831093 664423762 /nfs/dbraw/zinc/42/37/62/664423762.db2.gz YUIFBAVBKIJZFN-LLVKDONJSA-N 1 0 318.377 0.715 10 0 DCAERO COC(=O)[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C ZINC000227752879 664538452 /nfs/dbraw/zinc/53/84/52/664538452.db2.gz RLBNEUZNZOBOHN-GXSJLCMTSA-N 1 0 307.375 0.997 10 0 DCAERO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3COC(=O)N3)cc2)CC1 ZINC000062637485 664622132 /nfs/dbraw/zinc/62/21/32/664622132.db2.gz OKRGGINVTUSVBZ-CYBMUJFWSA-N 1 0 304.350 0.485 10 0 DCAERO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000230856164 664624783 /nfs/dbraw/zinc/62/47/83/664624783.db2.gz XKFDGNHUKZZSNN-UHFFFAOYSA-N 1 0 306.819 0.964 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1CC ZINC000152200546 664740182 /nfs/dbraw/zinc/74/01/82/664740182.db2.gz KMNFUSHEFOVMAB-ZIAGYGMSSA-N 1 0 312.410 0.899 10 0 DCAERO CCCC[C@H]1NC(=O)N(CN2CCO[C@H](C[NH+](C)C)C2)C1=O ZINC000152975047 664785719 /nfs/dbraw/zinc/78/57/19/664785719.db2.gz AUKICIPVOYQEQK-CHWSQXEVSA-N 1 0 312.414 0.317 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422628243 666280427 /nfs/dbraw/zinc/28/04/27/666280427.db2.gz TVDBZDPJCQXBLY-GXTWGEPZSA-N 1 0 305.403 0.824 10 0 DCAERO CC[C@H]1CN(C(=O)NCCc2ccnn2C)CC[N@@H+]1CCOC ZINC000184996486 666316286 /nfs/dbraw/zinc/31/62/86/666316286.db2.gz YDDSTKGNIBDJDF-AWEZNQCLSA-N 1 0 323.441 0.715 10 0 DCAERO CCCC(=O)NCC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000073829241 666577703 /nfs/dbraw/zinc/57/77/03/666577703.db2.gz YGINHGMGTLTZAH-ZDUSSCGKSA-N 1 0 300.399 0.803 10 0 DCAERO CCCC(=O)NCC(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000073829245 666577779 /nfs/dbraw/zinc/57/77/79/666577779.db2.gz YGINHGMGTLTZAH-CYBMUJFWSA-N 1 0 300.399 0.803 10 0 DCAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700621642 666748159 /nfs/dbraw/zinc/74/81/59/666748159.db2.gz NZHOLEICMKKZIK-ARLBYUKCSA-N 1 0 324.446 0.254 10 0 DCAERO COC1CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 ZINC000702830165 667001317 /nfs/dbraw/zinc/00/13/17/667001317.db2.gz JFIOVIZPJRVHMJ-WTIISPKJSA-N 1 0 300.399 0.981 10 0 DCAERO COC1CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 ZINC000702830169 667001327 /nfs/dbraw/zinc/00/13/27/667001327.db2.gz JFIOVIZPJRVHMJ-YWPUVAFDSA-N 1 0 300.399 0.981 10 0 DCAERO Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702844655 667009859 /nfs/dbraw/zinc/00/98/59/667009859.db2.gz JSOJZWIWIDCDLX-VXGBXAGGSA-N 1 0 310.398 0.738 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CO1 ZINC000702850306 667010492 /nfs/dbraw/zinc/01/04/92/667010492.db2.gz YMKRLSTULWCVJP-FVCCEPFGSA-N 1 0 300.399 0.981 10 0 DCAERO C[NH2+]CCOCCN(C)CC(=O)Nc1cccnc1Cl ZINC000706673184 667418904 /nfs/dbraw/zinc/41/89/04/667418904.db2.gz ATQPOEGVZQHAND-UHFFFAOYSA-N 1 0 300.790 0.841 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708201179 667442386 /nfs/dbraw/zinc/44/23/86/667442386.db2.gz FLWHRBYWUXXBAY-NWDGAFQWSA-N 1 0 300.424 0.996 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710137178 667445858 /nfs/dbraw/zinc/44/58/58/667445858.db2.gz GDNPRVYLFUHKJH-UHFFFAOYSA-N 1 0 304.441 0.545 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000709822044 667445781 /nfs/dbraw/zinc/44/57/81/667445781.db2.gz ZREKAAQNWANLJX-KXUCPTDWSA-N 1 0 316.345 0.564 10 0 DCAERO CC(C)OCCS(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710140708 667445931 /nfs/dbraw/zinc/44/59/31/667445931.db2.gz ZEUWKNXDMAGKBS-UHFFFAOYSA-N 1 0 319.452 0.715 10 0 DCAERO CN(CCCCCC[NH3+])C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000710778706 667446174 /nfs/dbraw/zinc/44/61/74/667446174.db2.gz BOMLRAGJAGOUKM-LBPRGKRZSA-N 1 0 305.444 0.388 10 0 DCAERO CCS(=O)(=O)C1(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000711232899 667455400 /nfs/dbraw/zinc/45/54/00/667455400.db2.gz FRRDRNRHALVLBM-RISCZKNCSA-N 1 0 300.424 0.602 10 0 DCAERO CON(C)C(=O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460942 667473782 /nfs/dbraw/zinc/47/37/82/667473782.db2.gz ZIGZIDSWFNGTHN-PHIMTYICSA-N 1 0 301.387 0.899 10 0 DCAERO CC[C@@H]1CN(C(=O)N=c2nc(C)[nH]n2CC)CC[N@@H+]1CCOC ZINC000888529124 667637524 /nfs/dbraw/zinc/63/75/24/667637524.db2.gz QCOGJHPHYVIBQU-CYBMUJFWSA-N 1 0 324.429 0.603 10 0 DCAERO CCn1nccc1C[N@@H+]1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886089097 667731173 /nfs/dbraw/zinc/73/11/73/667731173.db2.gz XKIKQFBDBVNHFP-OAHLLOKOSA-N 1 0 304.398 0.601 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000717066749 668200784 /nfs/dbraw/zinc/20/07/84/668200784.db2.gz OCXGRJOLSAGZHC-DTWKUNHWSA-N 1 0 301.334 0.539 10 0 DCAERO C[NH+](C)C1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000127986567 669103423 /nfs/dbraw/zinc/10/34/23/669103423.db2.gz KMISYFWWNBDJSC-UHFFFAOYSA-N 1 0 304.394 0.750 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159205064 669934668 /nfs/dbraw/zinc/93/46/68/669934668.db2.gz NCDSMKABKUGCII-AWEZNQCLSA-N 1 0 320.418 0.652 10 0 DCAERO Cn1cc(C[NH2+][C@@H]2CCCN(CCO)C2)c(Br)n1 ZINC000712492514 670149570 /nfs/dbraw/zinc/14/95/70/670149570.db2.gz YEBVCGULCVYGEN-LLVKDONJSA-N 1 0 317.231 0.729 10 0 DCAERO Cn1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c(Br)n1 ZINC000714087561 670177503 /nfs/dbraw/zinc/17/75/03/670177503.db2.gz QBXJSDWUEHKFNY-GHMZBOCLSA-N 1 0 315.215 0.745 10 0 DCAERO O=C(NCc1ncc(Br)s1)[C@@H]1C[NH2+]CCO1 ZINC000714942090 670196809 /nfs/dbraw/zinc/19/68/09/670196809.db2.gz CBDVAVZOUZOCFD-LURJTMIESA-N 1 0 306.185 0.510 10 0 DCAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)C(=O)NCc1ccco1 ZINC000715197669 670205748 /nfs/dbraw/zinc/20/57/48/670205748.db2.gz HZQYPJWEXSHZTJ-GRZMOONWSA-N 1 0 300.380 0.450 10 0 DCAERO CCN(CCS(C)(=O)=O)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715411327 670208908 /nfs/dbraw/zinc/20/89/08/670208908.db2.gz GYOIKGPFPZTLST-TZMCWYRMSA-N 1 0 302.440 0.659 10 0 DCAERO O=C(N1CCCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715508330 670212839 /nfs/dbraw/zinc/21/28/39/670212839.db2.gz VAIIBGALNDUXIJ-TZMCWYRMSA-N 1 0 300.424 0.413 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193415969 670281567 /nfs/dbraw/zinc/28/15/67/670281567.db2.gz MBUVKSYOTUJKRH-APPZFPTMSA-N 1 0 306.819 0.658 10 0 DCAERO C[NH+](C)C[C@H](O)CNc1ncc(I)cn1 ZINC000389900115 685258195 /nfs/dbraw/zinc/25/81/95/685258195.db2.gz 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/nfs/dbraw/zinc/28/07/84/944280784.db2.gz OXLOPPKAEBWEKY-MCIONIFRSA-N 1 0 302.440 0.674 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000262355236 295673532 /nfs/dbraw/zinc/67/35/32/295673532.db2.gz UTGXCEVZRKJORG-AJNGGQMLSA-N 1 0 323.437 0.112 10 0 DCAERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(=O)N1CCOCC1 ZINC000176453764 529628580 /nfs/dbraw/zinc/62/85/80/529628580.db2.gz UEONERGLMJAYBC-QWHCGFSZSA-N 1 0 312.414 0.017 10 0 DCAERO CC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)OC ZINC000175765014 529674682 /nfs/dbraw/zinc/67/46/82/529674682.db2.gz CBYZEEQPYFERMI-CYBMUJFWSA-N 1 0 320.393 0.515 10 0 DCAERO C[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000154397487 529775187 /nfs/dbraw/zinc/77/51/87/529775187.db2.gz CXULMVLHMWUBCO-CQSZACIVSA-N 1 0 312.439 0.164 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)NCC(C)(C)CCO)ccn2)CC1 ZINC000178602658 529776531 /nfs/dbraw/zinc/77/65/31/529776531.db2.gz BJZBVDBBWIPNNN-UHFFFAOYSA-N 1 0 320.437 0.972 10 0 DCAERO 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QTMFFHGARAFESQ-HNNXBMFYSA-N 1 0 313.442 0.182 10 0 DCAERO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189130134 237389852 /nfs/dbraw/zinc/38/98/52/237389852.db2.gz GHCJDZOZPCZNJM-OLZOCXBDSA-N 1 0 319.471 0.757 10 0 DCAERO CN(C)c1ncc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000154606490 291214748 /nfs/dbraw/zinc/21/47/48/291214748.db2.gz PAJNYUIRAILVKU-CYBMUJFWSA-N 1 0 322.413 0.511 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000155227874 291218497 /nfs/dbraw/zinc/21/84/97/291218497.db2.gz SXSVIXSVTLHDSL-CHWSQXEVSA-N 1 0 310.442 0.931 10 0 DCAERO C[C@]1(CNC(=O)CNC(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000162360736 291243511 /nfs/dbraw/zinc/24/35/11/291243511.db2.gz BUOCIJDXHWVVCR-MRXNPFEDSA-N 1 0 304.394 0.826 10 0 DCAERO CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccnc1 ZINC000163813019 291247155 /nfs/dbraw/zinc/24/71/55/291247155.db2.gz KVASDPVXCDEZNE-UHFFFAOYSA-N 1 0 306.410 0.858 10 0 DCAERO CN[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378063 283666553 /nfs/dbraw/zinc/66/65/53/283666553.db2.gz MOLRYKJMIOQMTL-CABCVRRESA-N 1 0 305.426 0.767 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091377006 193048734 /nfs/dbraw/zinc/04/87/34/193048734.db2.gz RJYGRBXXPARKDQ-ZYHUDNBSSA-N 1 0 323.418 0.748 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000366487627 291383428 /nfs/dbraw/zinc/38/34/28/291383428.db2.gz DFMQYOISYSHPSN-XQHKEYJVSA-N 1 0 316.423 0.151 10 0 DCAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701150 284250537 /nfs/dbraw/zinc/25/05/37/284250537.db2.gz XEKOPFUJILKNKG-NEPJUHHUSA-N 1 0 306.428 0.399 10 0 DCAERO CC(=O)N1CCCc2cc(S(=O)(=O)NCCC[NH3+])ccc21 ZINC000020224175 182198454 /nfs/dbraw/zinc/19/84/54/182198454.db2.gz UXRUJMAGWFJMMP-UHFFFAOYSA-N 1 0 311.407 0.613 10 0 DCAERO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(NN)nc1 ZINC000021516973 182277276 /nfs/dbraw/zinc/27/72/76/182277276.db2.gz PXAKDSIYWUSATO-UHFFFAOYSA-N 1 0 301.416 0.377 10 0 DCAERO O=S(=O)(N1CCc2sccc2C1)N1CCC[NH2+]CC1 ZINC000021813532 182293015 /nfs/dbraw/zinc/29/30/15/182293015.db2.gz RBJSJOVWHSMURS-UHFFFAOYSA-N 1 0 301.437 0.646 10 0 DCAERO COc1ccc(C(=O)NCC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000101675942 193834917 /nfs/dbraw/zinc/83/49/17/193834917.db2.gz ZFVLTWFPXBPKPQ-UHFFFAOYSA-N 1 0 319.405 0.883 10 0 DCAERO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050493 182981684 /nfs/dbraw/zinc/98/16/84/182981684.db2.gz FLNXYKHWORRUFS-QJPTWQEYSA-N 1 0 319.427 0.118 10 0 DCAERO CC(C)(C)NNc1[nH+]cnc(NCCN2CCOCC2)c1N ZINC000040796659 183135067 /nfs/dbraw/zinc/13/50/67/183135067.db2.gz LXEIXJGYHGBRDI-UHFFFAOYSA-N 1 0 309.418 0.518 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000042590131 183289081 /nfs/dbraw/zinc/28/90/81/183289081.db2.gz UMONUZKKDODXOW-CYBMUJFWSA-N 1 0 322.409 0.152 10 0 DCAERO [NH3+]C[C@@H](c1ccccc1Br)N(CCO)CCO ZINC000043092452 183335790 /nfs/dbraw/zinc/33/57/90/183335790.db2.gz OCMDEGRTJHUYRG-LBPRGKRZSA-N 1 0 303.200 0.736 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000104782334 194039823 /nfs/dbraw/zinc/03/98/23/194039823.db2.gz RGVGIJJTMTVVFJ-INIZCTEOSA-N 1 0 320.437 0.878 10 0 DCAERO O=C1CNC(=O)N1CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887201 194157333 /nfs/dbraw/zinc/15/73/33/194157333.db2.gz BJPNVFNAJAIBFM-UHFFFAOYSA-N 1 0 305.382 0.537 10 0 DCAERO COC[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H]1CCCO1 ZINC000333794349 252764954 /nfs/dbraw/zinc/76/49/54/252764954.db2.gz MXEDUXRLKOFQNE-ZIAGYGMSSA-N 1 0 311.426 0.966 10 0 DCAERO CC(=O)N1CCC(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000341091695 253342026 /nfs/dbraw/zinc/34/20/26/253342026.db2.gz PEXZGLIYSCSDCW-MRXNPFEDSA-N 1 0 320.437 0.901 10 0 DCAERO COCCO[C@@H]1CC[N@H+]([C@@H]2CCOC2)[C@@H]1Cc1cnn(C)c1 ZINC000248147592 257107757 /nfs/dbraw/zinc/10/77/57/257107757.db2.gz SHHRFJPECMNSBP-BZUAXINKSA-N 1 0 309.410 0.857 10 0 DCAERO Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)C[NH+](C)C)C2 ZINC000096198601 257133508 /nfs/dbraw/zinc/13/35/08/257133508.db2.gz VVACJQFFDHUTRE-GFCCVEGCSA-N 1 0 307.398 0.229 10 0 DCAERO COCCNC(=O)[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000247840904 257116131 /nfs/dbraw/zinc/11/61/31/257116131.db2.gz KUYOPJRQYQMOIV-CQSZACIVSA-N 1 0 321.421 0.862 10 0 DCAERO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(S(C)(=O)=O)C2 ZINC000247847039 257116943 /nfs/dbraw/zinc/11/69/43/257116943.db2.gz NHWXIRHCGNQYCO-KBPBESRZSA-N 1 0 302.440 0.626 10 0 DCAERO O=C(NC[C@@]12COC[C@@H]1C[N@@H+](C1CCC1)C2)c1ccnnc1 ZINC000247516319 257119745 /nfs/dbraw/zinc/11/97/45/257119745.db2.gz VRWJDGJOCCPHHP-XJKSGUPXSA-N 1 0 302.378 0.707 10 0 DCAERO C[C@H]1CCCC[C@@H]1OC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000216517499 257132127 /nfs/dbraw/zinc/13/21/27/257132127.db2.gz PMZLQNHIFSFDHG-IHRRRGAJSA-N 1 0 307.456 0.967 10 0 DCAERO Cn1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c([C@H]2CCOC2)n1 ZINC000275435973 130320824 /nfs/dbraw/zinc/32/08/24/130320824.db2.gz FJHZVVHTKCVGPI-QWHCGFSZSA-N 1 0 304.394 0.844 10 0 DCAERO COCCN(C)c1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)cn1 ZINC000284631179 131098650 /nfs/dbraw/zinc/09/86/50/131098650.db2.gz SVPHVQJAISHSQW-KBPBESRZSA-N 1 0 322.409 0.239 10 0 DCAERO Cn1ncc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1C1CC1 ZINC000285082236 131136633 /nfs/dbraw/zinc/13/66/33/131136633.db2.gz DBSCBWJUHZQKRR-KGLIPLIRSA-N 1 0 304.394 0.843 10 0 DCAERO CCc1nnc2ccc(N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)nn21 ZINC000285209878 131148262 /nfs/dbraw/zinc/14/82/62/131148262.db2.gz XAZWVXBTWNZWDO-NEPJUHHUSA-N 1 0 302.382 0.596 10 0 DCAERO COCCN(C(=O)C[C@H]([NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000136380060 545806511 /nfs/dbraw/zinc/80/65/11/545806511.db2.gz KMOVHJOXKNGJPK-RYUDHWBXSA-N 1 0 306.428 0.022 10 0 DCAERO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1(C(N)=O)CCCC1 ZINC000093211944 395736496 /nfs/dbraw/zinc/73/64/96/395736496.db2.gz CSTNNVQKNASUTN-LBPRGKRZSA-N 1 0 317.455 0.388 10 0 DCAERO CN(C)c1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)nc1 ZINC000193849827 395780640 /nfs/dbraw/zinc/78/06/40/395780640.db2.gz 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395824710 /nfs/dbraw/zinc/82/47/10/395824710.db2.gz SIHWQYOVYXARLO-CYBMUJFWSA-N 1 0 303.362 0.471 10 0 DCAERO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC1CC1 ZINC000112983826 395826154 /nfs/dbraw/zinc/82/61/54/395826154.db2.gz MQWZNVPHDGRWSG-UHFFFAOYSA-N 1 0 319.409 0.556 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1CC ZINC000116769953 395845404 /nfs/dbraw/zinc/84/54/04/395845404.db2.gz IUEPXRPKGSLAHU-OAHLLOKOSA-N 1 0 321.421 0.958 10 0 DCAERO Cc1sc(=O)n(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000116792825 395846336 /nfs/dbraw/zinc/84/63/36/395846336.db2.gz ZRAIAPMVNNHUJW-GFCCVEGCSA-N 1 0 313.423 0.316 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CCO1 ZINC000116796127 395846434 /nfs/dbraw/zinc/84/64/34/395846434.db2.gz UWNLYPSSVKSIFX-IVZQSRNASA-N 1 0 324.446 0.968 10 0 DCAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000236724530 395896646 /nfs/dbraw/zinc/89/66/46/395896646.db2.gz UDZGYPXIXCQUQN-AWEZNQCLSA-N 1 0 313.423 0.827 10 0 DCAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(c2cccnn2)CC1 ZINC000123866960 395898371 /nfs/dbraw/zinc/89/83/71/395898371.db2.gz PBIJJUBBLNYWGU-MRXNPFEDSA-N 1 0 315.421 1.000 10 0 DCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000123885664 395898449 /nfs/dbraw/zinc/89/84/49/395898449.db2.gz TXSGIINMJQENFE-LSDHHAIUSA-N 1 0 316.405 0.945 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 ZINC000237099931 395903040 /nfs/dbraw/zinc/90/30/40/395903040.db2.gz MVLVHSDNNCDOOX-UHFFFAOYSA-N 1 0 316.379 0.747 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cn1cccn1 ZINC000054577072 395903413 /nfs/dbraw/zinc/90/34/13/395903413.db2.gz YKYSBMCWMQUJAV-LSDHHAIUSA-N 1 0 323.441 0.665 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245457395 395930027 /nfs/dbraw/zinc/93/00/27/395930027.db2.gz CBCKUCZTBNVOAP-UKRRQHHQSA-N 1 0 324.469 0.528 10 0 DCAERO COCC[NH2+]CC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000237232181 395907885 /nfs/dbraw/zinc/90/78/85/395907885.db2.gz 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ZINC000271460869 395866793 /nfs/dbraw/zinc/86/67/93/395866793.db2.gz SZJZCRQPXZFAKS-MNOVXSKESA-N 1 0 303.366 0.881 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cnccc1OC ZINC000119551616 395872432 /nfs/dbraw/zinc/87/24/32/395872432.db2.gz YCXUZYBJLAGMTQ-LLVKDONJSA-N 1 0 308.382 0.875 10 0 DCAERO CC(C)CCn1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)nn1 ZINC000152027681 395998238 /nfs/dbraw/zinc/99/82/38/395998238.db2.gz ZJIGYNFJYRZXIB-CYBMUJFWSA-N 1 0 309.414 0.727 10 0 DCAERO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000245708760 395933639 /nfs/dbraw/zinc/93/36/39/395933639.db2.gz MWIOXTLYWWLRLW-DYEKYZERSA-N 1 0 311.426 0.253 10 0 DCAERO C[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCCC[NH2+]1 ZINC000136132981 395944118 /nfs/dbraw/zinc/94/41/18/395944118.db2.gz MUZKTOOLXAJUMJ-CQSZACIVSA-N 1 0 311.407 0.482 10 0 DCAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)N3CCOCC3)[C@H]2C1 ZINC000246224354 395944509 /nfs/dbraw/zinc/94/45/09/395944509.db2.gz FNXRAXDPTUXFKN-ILXRZTDVSA-N 1 0 312.410 0.504 10 0 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/nfs/dbraw/zinc/95/69/84/395956984.db2.gz IVKJDOIQDDZIHN-GXTWGEPZSA-N 1 0 317.393 0.647 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(=O)N1CCOCC1 ZINC000246817799 395958624 /nfs/dbraw/zinc/95/86/24/395958624.db2.gz CIFLCQFANFAGMM-KBPBESRZSA-N 1 0 309.410 0.321 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1C ZINC000246854781 395959618 /nfs/dbraw/zinc/95/96/18/395959618.db2.gz VEPAFCWSEABXMB-KKUMJFAQSA-N 1 0 314.426 0.486 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246855577 395959748 /nfs/dbraw/zinc/95/97/48/395959748.db2.gz FGQIOXYKCOKXGI-HUUCEWRRSA-N 1 0 313.442 0.324 10 0 DCAERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]([NH3+])CCC(N)=O)C2)cc1 ZINC000248900520 396000197 /nfs/dbraw/zinc/00/01/97/396000197.db2.gz YWWDHOIUHBCUOM-KYOSRNDESA-N 1 0 319.405 0.992 10 0 DCAERO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000246892962 395960208 /nfs/dbraw/zinc/96/02/08/395960208.db2.gz NDERJNFUIYDWEF-SOUVJXGZSA-N 1 0 323.437 0.424 10 0 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/nfs/dbraw/zinc/97/35/74/395973574.db2.gz SQOAPAKRDRLCSW-LSDHHAIUSA-N 1 0 318.421 0.799 10 0 DCAERO COC(=O)CCCc1nc(CN2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000247771707 395978786 /nfs/dbraw/zinc/97/87/86/395978786.db2.gz ZVQKKWALKXKCPQ-LBPRGKRZSA-N 1 0 308.382 0.845 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NC(N)=O ZINC000274819172 395979057 /nfs/dbraw/zinc/97/90/57/395979057.db2.gz JPDGYKSSIDPMQE-GXTWGEPZSA-N 1 0 304.394 0.682 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000151305079 395983550 /nfs/dbraw/zinc/98/35/50/395983550.db2.gz ZNZOYEUSRRWTNN-BZUAXINKSA-N 1 0 324.469 0.833 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000248669941 395993703 /nfs/dbraw/zinc/99/37/03/395993703.db2.gz CWVDPHWELUXSLR-CVEARBPZSA-N 1 0 303.362 0.568 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000248691853 395994363 /nfs/dbraw/zinc/99/43/63/395994363.db2.gz YBBYANNKSHOWFM-CIUDSAMLSA-N 1 0 304.803 0.431 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000261838479 396071356 /nfs/dbraw/zinc/07/13/56/396071356.db2.gz ZTLITXDWBCKKSD-CQSZACIVSA-N 1 0 310.419 0.451 10 0 DCAERO CC(C)c1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154279676 396036247 /nfs/dbraw/zinc/03/62/47/396036247.db2.gz VULFGXVWAFCXIT-QWHCGFSZSA-N 1 0 306.414 0.739 10 0 DCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc2c(cc1OC)OCO2 ZINC000067921105 396038515 /nfs/dbraw/zinc/03/85/15/396038515.db2.gz IPYGUEXLFSOINN-MNOVXSKESA-N 1 0 307.350 0.072 10 0 DCAERO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155068145 396047142 /nfs/dbraw/zinc/04/71/42/396047142.db2.gz YJIHGNYXXIZRLH-GHMZBOCLSA-N 1 0 317.393 0.425 10 0 DCAERO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000155493996 396052460 /nfs/dbraw/zinc/05/24/60/396052460.db2.gz CMFGWLGERIAYLZ-GXFFZTMASA-N 1 0 306.410 0.856 10 0 DCAERO [NH3+]C1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOCC1 ZINC000261665552 396053780 /nfs/dbraw/zinc/05/37/80/396053780.db2.gz BKYFWMSGHUJARN-UHFFFAOYSA-N 1 0 317.389 0.703 10 0 DCAERO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000261668955 396054837 /nfs/dbraw/zinc/05/48/37/396054837.db2.gz HBEKEDPQLIPISM-GFCCVEGCSA-N 1 0 322.384 0.551 10 0 DCAERO [NH3+]CCN(CCC(=O)N1CCOCC1)CCc1ccccc1 ZINC000261694501 396056886 /nfs/dbraw/zinc/05/68/86/396056886.db2.gz FNHJTXVWXRCPHQ-UHFFFAOYSA-N 1 0 305.422 0.739 10 0 DCAERO C[N@H+](CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C1CCCC1 ZINC000155898922 396059491 /nfs/dbraw/zinc/05/94/91/396059491.db2.gz KUMRNOUYVJLAIB-UHFFFAOYSA-N 1 0 310.398 0.307 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000261739099 396061394 /nfs/dbraw/zinc/06/13/94/396061394.db2.gz UOYKXVIVVCWNQZ-VIFPVBQESA-N 1 0 316.379 0.434 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CCC[NH3+] ZINC000156864219 396062470 /nfs/dbraw/zinc/06/24/70/396062470.db2.gz QWTSKSUTSULUGH-UHFFFAOYSA-N 1 0 304.368 0.652 10 0 DCAERO O=S(=O)(C1CC1)N1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261808340 396067771 /nfs/dbraw/zinc/06/77/71/396067771.db2.gz PRGOVXWBLXXUAD-ZDUSSCGKSA-N 1 0 301.456 0.486 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCO1 ZINC000152217941 396003855 /nfs/dbraw/zinc/00/38/55/396003855.db2.gz SCZDAEMEWKMKMR-HNNXBMFYSA-N 1 0 315.377 0.670 10 0 DCAERO c1cn(CCC[NH+]2CCN(c3cncc4ncnn43)CC2)cn1 ZINC000276568094 396011023 /nfs/dbraw/zinc/01/10/23/396011023.db2.gz SWYWPHNCFSZFIW-UHFFFAOYSA-N 1 0 312.381 0.533 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000249740348 396012032 /nfs/dbraw/zinc/01/20/32/396012032.db2.gz IDZPYJXJTJOHAE-UONOGXRCSA-N 1 0 318.425 0.839 10 0 DCAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000262022829 396090691 /nfs/dbraw/zinc/09/06/91/396090691.db2.gz RRAMNTVXEJYKMH-VXGBXAGGSA-N 1 0 314.389 0.672 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)NCCOc1ccc(F)cc1F ZINC000262024425 396091316 /nfs/dbraw/zinc/09/13/16/396091316.db2.gz DESYZPBCNNFMMF-NSHDSACASA-N 1 0 300.305 0.838 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)CCOC1C[NH2+]C1 ZINC000262070619 396096177 /nfs/dbraw/zinc/09/61/77/396096177.db2.gz WUTHUWWVCLJLDZ-HNNXBMFYSA-N 1 0 319.405 0.547 10 0 DCAERO CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000170828083 396098973 /nfs/dbraw/zinc/09/89/73/396098973.db2.gz HUXVKZTXYNIYDC-CABCVRRESA-N 1 0 312.458 0.689 10 0 DCAERO Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000170860115 396099479 /nfs/dbraw/zinc/09/94/79/396099479.db2.gz SRSGBRIKGDMRJH-CYBMUJFWSA-N 1 0 319.405 0.983 10 0 DCAERO Cc1nn(CC(=O)OC(C)C)c(C)c1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262113482 396100667 /nfs/dbraw/zinc/10/06/67/396100667.db2.gz KUKIECGCASIPAR-HIFRSBDPSA-N 1 0 324.425 0.121 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000070187976 396100705 /nfs/dbraw/zinc/10/07/05/396100705.db2.gz NNMUNLJGHCNUKF-VXGBXAGGSA-N 1 0 305.444 0.401 10 0 DCAERO Cc1cccc(NC[C@H]2CC[N@H+](CCCS(N)(=O)=O)C2)n1 ZINC000170914543 396101711 /nfs/dbraw/zinc/10/17/11/396101711.db2.gz ZHMNOKKUGBUVBT-CYBMUJFWSA-N 1 0 312.439 0.802 10 0 DCAERO [NH3+]Cc1nccnc1-n1cc(I)cn1 ZINC000070677053 396102648 /nfs/dbraw/zinc/10/26/48/396102648.db2.gz YGBJEZFAUOSTGT-UHFFFAOYSA-N 1 0 301.091 0.726 10 0 DCAERO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(-n2cncn2)cc1 ZINC000262178096 396107118 /nfs/dbraw/zinc/10/71/18/396107118.db2.gz KSYQDMCVXADJIG-OCCSQVGLSA-N 1 0 315.377 0.823 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000262188102 396108451 /nfs/dbraw/zinc/10/84/51/396108451.db2.gz CACRNRQAYQPISV-KBPBESRZSA-N 1 0 305.378 0.580 10 0 DCAERO O=C(c1ccc(N2CCCC2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299840 396113453 /nfs/dbraw/zinc/11/34/53/396113453.db2.gz GSECMXHELHQFQC-CYBMUJFWSA-N 1 0 301.394 0.997 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000171642145 396121530 /nfs/dbraw/zinc/12/15/30/396121530.db2.gz WQMQFZIYCIHNKB-GFCCVEGCSA-N 1 0 306.366 0.385 10 0 DCAERO CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@H](C)C[NH3+])C2)no1 ZINC000262330341 396125296 /nfs/dbraw/zinc/12/52/96/396125296.db2.gz GOABJLAOKPDTPX-VXGBXAGGSA-N 1 0 309.414 0.821 10 0 DCAERO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000262390875 396134524 /nfs/dbraw/zinc/13/45/24/396134524.db2.gz OEVBNIYNFBIPLH-YNEHKIRRSA-N 1 0 306.410 0.906 10 0 DCAERO COCCN(CCOC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262423217 396138401 /nfs/dbraw/zinc/13/84/01/396138401.db2.gz FFDMIGDHRDZVOQ-DVOMOZLQSA-N 1 0 314.426 0.640 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1c1cccnc1 ZINC000261916136 396078880 /nfs/dbraw/zinc/07/88/80/396078880.db2.gz HZIWQEWUUDKGDJ-GZBFAFLISA-N 1 0 302.378 0.455 10 0 DCAERO COCC1(CNC(=O)COc2ccc(O)cc2)CC[NH2+]CC1 ZINC000261948432 396082647 /nfs/dbraw/zinc/08/26/47/396082647.db2.gz FQDGFKZBCBEKJQ-UHFFFAOYSA-N 1 0 308.378 0.903 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000163002868 396084906 /nfs/dbraw/zinc/08/49/06/396084906.db2.gz WMEPPOBXFPJDDQ-CQSZACIVSA-N 1 0 321.425 0.679 10 0 DCAERO C[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)NC(=O)C1CCCC1 ZINC000263225116 396206852 /nfs/dbraw/zinc/20/68/52/396206852.db2.gz MQHPLRDBUHZKGT-YPMHNXCESA-N 1 0 321.425 0.883 10 0 DCAERO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263229837 396207544 /nfs/dbraw/zinc/20/75/44/396207544.db2.gz NGNJHVQZNNILDD-SGMGOOAPSA-N 1 0 302.440 0.787 10 0 DCAERO Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000262509340 396149459 /nfs/dbraw/zinc/14/94/59/396149459.db2.gz MUPYAWDDJIICGA-HOTGVXAUSA-N 1 0 303.406 0.928 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000074177069 396159879 /nfs/dbraw/zinc/15/98/79/396159879.db2.gz XQVXDDXKCPUONS-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO CC(C)C[C@H](C[NH3+])NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262605669 396161187 /nfs/dbraw/zinc/16/11/87/396161187.db2.gz SVFDWRXFWNEKQA-GFCCVEGCSA-N 1 0 316.405 0.966 10 0 DCAERO CCCC(=O)NCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176886575 396162450 /nfs/dbraw/zinc/16/24/50/396162450.db2.gz PUYZJYDHEURWFN-CYBMUJFWSA-N 1 0 313.442 0.454 10 0 DCAERO COc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c(C(N)=O)cc1OC ZINC000262623317 396163559 /nfs/dbraw/zinc/16/35/59/396163559.db2.gz OVEHBNVUOOBDAR-BDAKNGLRSA-N 1 0 307.350 0.869 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccn(C)c2=O)CC1 ZINC000177169598 396168404 /nfs/dbraw/zinc/16/84/04/396168404.db2.gz HASBSVNECOEWOO-GFCCVEGCSA-N 1 0 308.382 0.306 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NCCOCc2ccccc2)C1 ZINC000177486500 396177077 /nfs/dbraw/zinc/17/70/77/396177077.db2.gz VVEXHAZVRFQVDP-HNNXBMFYSA-N 1 0 307.394 0.833 10 0 DCAERO CC(C)COC[C@H](O)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262738047 396177089 /nfs/dbraw/zinc/17/70/89/396177089.db2.gz IWUAZJRVPQQOPT-UONOGXRCSA-N 1 0 324.425 0.571 10 0 DCAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2=O)n(C)n1 ZINC000177561727 396178631 /nfs/dbraw/zinc/17/86/31/396178631.db2.gz HGXBHFYUAKNCPK-CYBMUJFWSA-N 1 0 302.382 0.747 10 0 DCAERO CCNC(=O)C(C)(C)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262788625 396182278 /nfs/dbraw/zinc/18/22/78/396182278.db2.gz NZTLJKVKPKGNER-LBPRGKRZSA-N 1 0 321.425 0.700 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)o1 ZINC000262814209 396184556 /nfs/dbraw/zinc/18/45/56/396184556.db2.gz YZDLBUFZUQPNBI-WPRPVWTQSA-N 1 0 316.379 0.651 10 0 DCAERO C[N@H+](CCN1CCN([C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000178201275 396191354 /nfs/dbraw/zinc/19/13/54/396191354.db2.gz PSCPVQGJZGNJAD-QGZVFWFLSA-N 1 0 316.449 0.625 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000263076578 396200782 /nfs/dbraw/zinc/20/07/82/396200782.db2.gz XDHFFPWAXPYPSV-ZDUSSCGKSA-N 1 0 317.380 0.554 10 0 DCAERO Cc1csc(=O)n1CCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263167223 396204329 /nfs/dbraw/zinc/20/43/29/396204329.db2.gz FIGYWIODIRPNSX-SNVBAGLBSA-N 1 0 309.395 0.420 10 0 DCAERO CN(C(=O)c1cn(CC2(C)COC2)nn1)C1CC[NH+](C)CC1 ZINC000184018821 396281141 /nfs/dbraw/zinc/28/11/41/396281141.db2.gz AFTYREWAVSTPRO-UHFFFAOYSA-N 1 0 307.398 0.481 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710642 396241607 /nfs/dbraw/zinc/24/16/07/396241607.db2.gz ZXEPYHARXCOHFE-ZFWWWQNUSA-N 1 0 312.458 0.567 10 0 DCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000182229650 396247926 /nfs/dbraw/zinc/24/79/26/396247926.db2.gz OPYJMJVUGGMYSD-CHWSQXEVSA-N 1 0 302.440 0.944 10 0 DCAERO Cn1nnc2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc21 ZINC000183339079 396267522 /nfs/dbraw/zinc/26/75/22/396267522.db2.gz BYQMUIVBHLFUIG-ZDUSSCGKSA-N 1 0 317.393 0.545 10 0 DCAERO CC(C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N1CCCC1=O ZINC000263319155 396213574 /nfs/dbraw/zinc/21/35/74/396213574.db2.gz ZYSLVYZNPDNEEO-YPMHNXCESA-N 1 0 307.398 0.965 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCSc2ccccc21 ZINC000179177041 396223381 /nfs/dbraw/zinc/22/33/81/396223381.db2.gz XMIDNEDQNNRSQU-NEPJUHHUSA-N 1 0 308.403 0.553 10 0 DCAERO Cn1cc(-c2cc(CN3CCO[C@@H](C[NH+](C)C)C3)on2)cn1 ZINC000185000212 396313624 /nfs/dbraw/zinc/31/36/24/396313624.db2.gz ONGXFQXCIFEOMG-AWEZNQCLSA-N 1 0 305.382 0.838 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000184073989 396284181 /nfs/dbraw/zinc/28/41/81/396284181.db2.gz TYWUVPIBYJGLHX-UONOGXRCSA-N 1 0 319.453 0.972 10 0 DCAERO C[NH+]1CCC(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000081314325 396297742 /nfs/dbraw/zinc/29/77/42/396297742.db2.gz CRLOLUDLQPWXKU-UHFFFAOYSA-N 1 0 310.398 0.165 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000184680005 396301402 /nfs/dbraw/zinc/30/14/02/396301402.db2.gz AHLMVSREQQVHIL-ZDUSSCGKSA-N 1 0 319.471 0.985 10 0 DCAERO CCOc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184727050 396303319 /nfs/dbraw/zinc/30/33/19/396303319.db2.gz GENMLESDAQYLNG-KGLIPLIRSA-N 1 0 308.378 0.841 10 0 DCAERO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)C(N)=O)c2)CC1 ZINC000184885024 396310145 /nfs/dbraw/zinc/31/01/45/396310145.db2.gz DPJJYYHDAAVAQL-GFCCVEGCSA-N 1 0 319.409 0.824 10 0 DCAERO CC(C)C[C@H](CO)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000185333018 396325434 /nfs/dbraw/zinc/32/54/34/396325434.db2.gz SRRQRHKMBFSBLF-UONOGXRCSA-N 1 0 306.472 0.997 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185523906 396330094 /nfs/dbraw/zinc/33/00/94/396330094.db2.gz YMDFOLYGKAROLD-INIZCTEOSA-N 1 0 318.417 0.953 10 0 DCAERO Cc1noc(CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000185888863 396336327 /nfs/dbraw/zinc/33/63/27/396336327.db2.gz PAZCRLIDLSDWEN-GHMZBOCLSA-N 1 0 311.386 0.017 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285981968 396366940 /nfs/dbraw/zinc/36/69/40/396366940.db2.gz XWJVFCXYROWXSY-UBHSHLNASA-N 1 0 321.377 0.329 10 0 DCAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc2c(c1)NC(=O)C2 ZINC000188501861 396382919 /nfs/dbraw/zinc/38/29/19/396382919.db2.gz FOUAPMMNAMFFMP-AWEZNQCLSA-N 1 0 315.373 0.774 10 0 DCAERO NC(=O)c1cccc(OCCC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188657980 396384406 /nfs/dbraw/zinc/38/44/06/396384406.db2.gz ZYZLGYMDOMRQNY-UHFFFAOYSA-N 1 0 317.389 0.861 10 0 DCAERO COc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189793430 396399762 /nfs/dbraw/zinc/39/97/62/396399762.db2.gz XDKLHFFRZNOWFA-UHFFFAOYSA-N 1 0 303.362 0.940 10 0 DCAERO O=C(NC1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1)C1CC1 ZINC000190273107 396404547 /nfs/dbraw/zinc/40/45/47/396404547.db2.gz LGNMFLWCLVQGPH-NSHDSACASA-N 1 0 306.410 0.391 10 0 DCAERO COCCN1CCC[N@H+](C[C@@H](O)Cc2ccccc2)CC1=O ZINC000190787613 396411720 /nfs/dbraw/zinc/41/17/20/396411720.db2.gz PXIRQUBRMYVTRL-INIZCTEOSA-N 1 0 306.406 0.771 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000191927859 396426952 /nfs/dbraw/zinc/42/69/52/396426952.db2.gz NIFFBPCYYZUCAL-QTCYRWPVSA-N 1 0 310.419 0.428 10 0 DCAERO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccnn1C ZINC000192250827 396430887 /nfs/dbraw/zinc/43/08/87/396430887.db2.gz JHGKCASCGZOUJC-NSHDSACASA-N 1 0 308.407 0.961 10 0 DCAERO Cc1ccccc1C(=O)NCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192515826 396432360 /nfs/dbraw/zinc/43/23/60/396432360.db2.gz LBBGAWCXHBYUSD-OKILXGFUSA-N 1 0 301.390 0.745 10 0 DCAERO C[C@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000192508396 396432550 /nfs/dbraw/zinc/43/25/50/396432550.db2.gz NALPFFGABDVAAX-AWEZNQCLSA-N 1 0 312.458 0.617 10 0 DCAERO COc1ccnc(NC2CC[NH+](CCCNC(C)=O)CC2)n1 ZINC000192860144 396438649 /nfs/dbraw/zinc/43/86/49/396438649.db2.gz SOTIMILCSIXUDS-UHFFFAOYSA-N 1 0 307.398 0.888 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cn1 ZINC000192922087 396440301 /nfs/dbraw/zinc/44/03/01/396440301.db2.gz JWYSFBBGLJCPKO-LBPRGKRZSA-N 1 0 324.356 0.122 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000193403788 396450326 /nfs/dbraw/zinc/45/03/26/396450326.db2.gz KSGKJTUOFOXYBY-APPZFPTMSA-N 1 0 304.803 0.594 10 0 DCAERO CN(C)S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193442017 396451315 /nfs/dbraw/zinc/45/13/15/396451315.db2.gz TVCKLQNHEZMYFG-GWCFXTLKSA-N 1 0 319.377 0.806 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN1c2ccccc2OCC1=O ZINC000270065594 396460525 /nfs/dbraw/zinc/46/05/25/396460525.db2.gz GAZPWDOJHBWFEM-CHWSQXEVSA-N 1 0 317.389 0.963 10 0 DCAERO C[NH+](C)C1CCN(CCNC(=O)c2cn3cccnc3n2)CC1 ZINC000531131700 396590357 /nfs/dbraw/zinc/59/03/57/396590357.db2.gz MDMZWDFAGPWJRT-UHFFFAOYSA-N 1 0 316.409 0.485 10 0 DCAERO CN(Cc1nnnn1C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000531549951 396598182 /nfs/dbraw/zinc/59/81/82/396598182.db2.gz UOLPWYAOFRZRHJ-UHFFFAOYSA-N 1 0 307.402 0.226 10 0 DCAERO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560989856 396627536 /nfs/dbraw/zinc/62/75/36/396627536.db2.gz QIEVHJDZZAFURS-LLVKDONJSA-N 1 0 303.366 0.729 10 0 DCAERO CSC1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000589085867 396703419 /nfs/dbraw/zinc/70/34/19/396703419.db2.gz ADDZKTTYOSHSMP-GFCCVEGCSA-N 1 0 311.451 0.695 10 0 DCAERO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000309847614 396759087 /nfs/dbraw/zinc/75/90/87/396759087.db2.gz 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CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000629590321 396800796 /nfs/dbraw/zinc/80/07/96/396800796.db2.gz UIQGLSADOMXQPV-PVAVHDDUSA-N 1 0 323.389 0.758 10 0 DCAERO CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000629600387 396804639 /nfs/dbraw/zinc/80/46/39/396804639.db2.gz WCIWPFZPHTYAEL-QWHCGFSZSA-N 1 0 300.424 0.546 10 0 DCAERO COC(=O)[C@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000611522329 396878155 /nfs/dbraw/zinc/87/81/55/396878155.db2.gz LZDYUYYXLUQNNU-MRXNPFEDSA-N 1 0 318.377 0.833 10 0 DCAERO c1cc(N2CCO[C@]3(CCCOC3)C2)nc(N2CCOCC2)n1 ZINC000376195835 396892564 /nfs/dbraw/zinc/89/25/64/396892564.db2.gz AKVYVKSLJQONAG-MRXNPFEDSA-N 1 0 320.393 0.699 10 0 DCAERO C[NH+](C)CCCCC(=O)NCCCN1CCCS1(=O)=O ZINC000591453760 396924328 /nfs/dbraw/zinc/92/43/28/396924328.db2.gz MLKGQQSTHKBATG-UHFFFAOYSA-N 1 0 305.444 0.260 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)c2cccc3ncnn32)CC1(C)C ZINC000571726578 396980695 /nfs/dbraw/zinc/98/06/95/396980695.db2.gz WDSBBPHSYBGTAB-UHFFFAOYSA-N 1 0 316.409 0.485 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000573536040 397177969 /nfs/dbraw/zinc/17/79/69/397177969.db2.gz RDUYWCUAFDFFKQ-PBHICJAKSA-N 1 0 323.437 0.568 10 0 DCAERO CN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000381103587 397270779 /nfs/dbraw/zinc/27/07/79/397270779.db2.gz COQVVRUUBXTIIL-ZDUSSCGKSA-N 1 0 302.371 0.576 10 0 DCAERO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])ccc21 ZINC000381474562 397272091 /nfs/dbraw/zinc/27/20/91/397272091.db2.gz MAASECIUSOCRCO-NXEZZACHSA-N 1 0 311.407 0.610 10 0 DCAERO Cn1ncc(Br)c1CN1CCC(O)(C[NH3+])CC1 ZINC000397097561 397311584 /nfs/dbraw/zinc/31/15/84/397311584.db2.gz LBAANJYZDNLBMH-UHFFFAOYSA-N 1 0 303.204 0.468 10 0 DCAERO CC(=O)N[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000613748504 397314797 /nfs/dbraw/zinc/31/47/97/397314797.db2.gz CJTLVOPSJUSPJX-OAHLLOKOSA-N 1 0 322.453 0.330 10 0 DCAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1S(N)(=O)=O ZINC000407982236 397342661 /nfs/dbraw/zinc/34/26/61/397342661.db2.gz XCLLSBOKUUYMOJ-GFCCVEGCSA-N 1 0 323.418 0.563 10 0 DCAERO C[C@H]1CC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)O1 ZINC000408130910 397348298 /nfs/dbraw/zinc/34/82/98/397348298.db2.gz CSLPMJLFTWFVAP-UONOGXRCSA-N 1 0 312.410 0.240 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000408382042 397355836 /nfs/dbraw/zinc/35/58/36/397355836.db2.gz PBMQYPAXBRXBLA-YIZRAAEISA-N 1 0 304.334 0.360 10 0 DCAERO COC(=O)C(C)(C)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602460811 397408260 /nfs/dbraw/zinc/40/82/60/397408260.db2.gz XZRLZORLNGINAA-AWEZNQCLSA-N 1 0 321.421 0.761 10 0 DCAERO OC(CN1CCC[C@H]2OCC[C@H]21)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370201008 397454753 /nfs/dbraw/zinc/45/47/53/397454753.db2.gz GCBHDPRSIWSEDM-QBPKDAKJSA-N 1 0 310.438 0.854 10 0 DCAERO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2nccn2c1 ZINC000606583943 397684003 /nfs/dbraw/zinc/68/40/03/397684003.db2.gz UPJBPCIEUBGELI-CYBMUJFWSA-N 1 0 302.382 0.702 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC)C12CCOCC2 ZINC000186314443 286387170 /nfs/dbraw/zinc/38/71/70/286387170.db2.gz CICRPBPELXIGIL-QWHCGFSZSA-N 1 0 305.440 0.985 10 0 DCAERO COCCCS(=O)(=O)NCCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177688483 292371749 /nfs/dbraw/zinc/37/17/49/292371749.db2.gz IGZHCFBXPCSIMP-KBPBESRZSA-N 1 0 321.487 0.357 10 0 DCAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000061041249 158028393 /nfs/dbraw/zinc/02/83/93/158028393.db2.gz BDIWZDIDQOJJKO-UHFFFAOYSA-N 1 0 322.331 0.545 10 0 DCAERO CC[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC[NH2+]C1 ZINC000062888405 158029332 /nfs/dbraw/zinc/02/93/32/158029332.db2.gz RQNACSDBBOSUCT-AWEZNQCLSA-N 1 0 311.407 0.340 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000066106018 158036434 /nfs/dbraw/zinc/03/64/34/158036434.db2.gz SCBJXIOMHSQZSZ-MCIONIFRSA-N 1 0 317.455 0.511 10 0 DCAERO Cn1c(CN2CCC([NH+]3CCCC3)CC2)cc(=O)n(C)c1=O ZINC000076680227 158064512 /nfs/dbraw/zinc/06/45/12/158064512.db2.gz QIYIDIPTSWJCIR-UHFFFAOYSA-N 1 0 306.410 0.144 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC000076488563 158064741 /nfs/dbraw/zinc/06/47/41/158064741.db2.gz OXYPRPAUXDHSHQ-CHWSQXEVSA-N 1 0 309.410 0.714 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)CO)CC1 ZINC000077807896 158069987 /nfs/dbraw/zinc/06/99/87/158069987.db2.gz DMMVQWCKTFRDTI-STQMWFEESA-N 1 0 301.431 0.803 10 0 DCAERO CC[NH+](CC)C[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000081335106 158084009 /nfs/dbraw/zinc/08/40/09/158084009.db2.gz QCABZUZYOICCTL-GFCCVEGCSA-N 1 0 324.425 0.507 10 0 DCAERO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cnsn1 ZINC000089961553 158099834 /nfs/dbraw/zinc/09/98/34/158099834.db2.gz DIGHBVHGXSIVQV-CHWSQXEVSA-N 1 0 318.402 0.903 10 0 DCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000093886157 158123113 /nfs/dbraw/zinc/12/31/13/158123113.db2.gz VECWIRAHOQGNGL-CVEARBPZSA-N 1 0 324.469 0.977 10 0 DCAERO Cc1nc(CN2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)no1 ZINC000105845766 158130526 /nfs/dbraw/zinc/13/05/26/158130526.db2.gz WEGRLRGXGNDQGT-OAHLLOKOSA-N 1 0 323.441 0.605 10 0 DCAERO Cc1nnc(CN2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)o1 ZINC000105845652 158131147 /nfs/dbraw/zinc/13/11/47/158131147.db2.gz KYYFPNFWIGKOMR-OAHLLOKOSA-N 1 0 323.441 0.605 10 0 DCAERO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876334 158131472 /nfs/dbraw/zinc/13/14/72/158131472.db2.gz NMIRNJMGPXCGFE-LBPRGKRZSA-N 1 0 322.409 0.352 10 0 DCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000108718286 158136972 /nfs/dbraw/zinc/13/69/72/158136972.db2.gz PZDQLSHTSUCODR-XQQFMLRXSA-N 1 0 305.444 0.414 10 0 DCAERO COC(=O)CNC(=O)CC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000111229087 158139710 /nfs/dbraw/zinc/13/97/10/158139710.db2.gz FRNGLQSWAVKQES-UHFFFAOYSA-N 1 0 322.409 0.354 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113270414 158146056 /nfs/dbraw/zinc/14/60/56/158146056.db2.gz TXVDCMQFOYMBJS-KBPBESRZSA-N 1 0 310.442 0.140 10 0 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306.771 0.754 10 0 DCAERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123300417 158229256 /nfs/dbraw/zinc/22/92/56/158229256.db2.gz TVFYHJHUVUBTDZ-SMDDNHRTSA-N 1 0 314.407 0.790 10 0 DCAERO CO[C@]1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123301091 158229499 /nfs/dbraw/zinc/22/94/99/158229499.db2.gz TVFYHJHUVUBTDZ-RISCZKNCSA-N 1 0 314.407 0.790 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)CCSc2nnnn2C)CC[N@@H+]1C ZINC000123811036 158233732 /nfs/dbraw/zinc/23/37/32/158233732.db2.gz ICCWXXQRSWIMHX-MNOVXSKESA-N 1 0 312.443 0.633 10 0 DCAERO CNc1snc(C)c1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132884481 158313760 /nfs/dbraw/zinc/31/37/60/158313760.db2.gz BRZXNQQTNXUXQT-UHFFFAOYSA-N 1 0 312.439 0.927 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)C1 ZINC000133998051 158323478 /nfs/dbraw/zinc/32/34/78/158323478.db2.gz LUZXKDLRPDDEKE-ILXRZTDVSA-N 1 0 323.437 0.757 10 0 DCAERO Cc1noc([C@H](C)N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)n1 ZINC000168115048 158371031 /nfs/dbraw/zinc/37/10/31/158371031.db2.gz RIECARPZCMTPBG-LBPRGKRZSA-N 1 0 321.425 0.973 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000170826401 158377227 /nfs/dbraw/zinc/37/72/27/158377227.db2.gz JKVBLBDNWSSEIV-LBPRGKRZSA-N 1 0 306.414 0.850 10 0 DCAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)no1 ZINC000170914551 158378216 /nfs/dbraw/zinc/37/82/16/158378216.db2.gz UJDYNUIHYFAWEZ-NSHDSACASA-N 1 0 302.400 0.311 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000171450253 158383058 /nfs/dbraw/zinc/38/30/58/158383058.db2.gz RFWCUNRBCODEAT-LLVKDONJSA-N 1 0 308.382 0.014 10 0 DCAERO O=C(NCCCN1C(=O)CCC1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907550 158388710 /nfs/dbraw/zinc/38/87/10/158388710.db2.gz PKVIAKUIZTVQOR-GFCCVEGCSA-N 1 0 308.382 0.015 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCO1 ZINC000172031891 158389343 /nfs/dbraw/zinc/38/93/43/158389343.db2.gz JHKITRJQXIXIRI-STQMWFEESA-N 1 0 306.428 0.148 10 0 DCAERO 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/nfs/dbraw/zinc/75/56/99/158755699.db2.gz WUEREMKEYRGYCH-JSGCOSHPSA-N 1 0 317.389 0.805 10 0 DCAERO [NH3+]C1(C(=O)Nc2ccc(N3CCOCC3)nc2)CCOCC1 ZINC000262137538 158776779 /nfs/dbraw/zinc/77/67/79/158776779.db2.gz MBQIGRCMOCWLMA-UHFFFAOYSA-N 1 0 306.366 0.365 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)n1cccn1 ZINC000262135007 158776786 /nfs/dbraw/zinc/77/67/86/158776786.db2.gz WVSNLPJOPVBCFS-CHWSQXEVSA-N 1 0 321.425 0.488 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccc1C ZINC000262201019 158784822 /nfs/dbraw/zinc/78/48/22/158784822.db2.gz IFIDRMCBHKAUHR-CJNGLKHVSA-N 1 0 314.389 0.799 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nnn1-c1cccc(C)c1 ZINC000262242126 158789183 /nfs/dbraw/zinc/78/91/83/158789183.db2.gz LABAASXTMLQOIB-JSGCOSHPSA-N 1 0 315.377 0.194 10 0 DCAERO Cc1ccc(N2CCCC2)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262308817 158796160 /nfs/dbraw/zinc/79/61/60/158796160.db2.gz QGDZMEBUZBUAHZ-BBRMVZONSA-N 1 0 303.406 0.905 10 0 DCAERO 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/nfs/dbraw/zinc/05/28/12/159052812.db2.gz NXLZSNMDHKGVFG-IHRRRGAJSA-N 1 0 307.398 0.236 10 0 DCAERO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329274109 159078294 /nfs/dbraw/zinc/07/82/94/159078294.db2.gz KHNHDSZALVBUAK-OLZOCXBDSA-N 1 0 302.440 0.959 10 0 DCAERO C[NH+](C)[C@]1(CNS(=O)(=O)NC2CCCC2)CCSC1 ZINC000329664615 159110253 /nfs/dbraw/zinc/11/02/53/159110253.db2.gz KAGXJMJMDKHPKR-LBPRGKRZSA-N 1 0 307.485 0.790 10 0 DCAERO CC[N@@H+]1CC[C@@H](NCc2cn([C@@H]3COC[C@H]3OC)nn2)[C@@H](C)C1 ZINC000329719716 159114294 /nfs/dbraw/zinc/11/42/94/159114294.db2.gz AFRQFMAVLDGVKI-LCGIIJARSA-N 1 0 323.441 0.684 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000329935144 159130094 /nfs/dbraw/zinc/13/00/94/159130094.db2.gz CJCJBWZZAGUIKI-CJNGLKHVSA-N 1 0 323.437 0.709 10 0 DCAERO C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCNC1=O ZINC000330291214 159157690 /nfs/dbraw/zinc/15/76/90/159157690.db2.gz CSUQOCNZRKVGOV-BBRMVZONSA-N 1 0 309.410 0.924 10 0 DCAERO 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/nfs/dbraw/zinc/02/81/19/160028119.db2.gz NGGGGKZVTASTAY-UHFFFAOYSA-N 1 0 312.395 0.159 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000408099456 160035797 /nfs/dbraw/zinc/03/57/97/160035797.db2.gz WDZIOSZSOKNHNW-CYBMUJFWSA-N 1 0 319.471 0.352 10 0 DCAERO Cc1n[nH]c(=O)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C ZINC000408110978 160037844 /nfs/dbraw/zinc/03/78/44/160037844.db2.gz XRJIZRKWSPNJFQ-NXEZZACHSA-N 1 0 308.382 0.326 10 0 DCAERO Cn1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(=O)c2ccccc21 ZINC000408128695 160043501 /nfs/dbraw/zinc/04/35/01/160043501.db2.gz SKYSNDMXQPDSQG-NSHDSACASA-N 1 0 300.362 0.710 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCS(C)(=O)=O ZINC000408153841 160048944 /nfs/dbraw/zinc/04/89/44/160048944.db2.gz GFOVLDUEKDZAHR-RYUDHWBXSA-N 1 0 303.428 0.299 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN2CC[S@@](=O)[C@@H](C)C2)CC1 ZINC000408211246 160061081 /nfs/dbraw/zinc/06/10/81/160061081.db2.gz NNMYORIMPNEYML-FKIZINRSSA-N 1 0 301.456 0.040 10 0 DCAERO 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/nfs/dbraw/zinc/00/19/60/287001960.db2.gz XCYOJPOERFNTRZ-ZDUSSCGKSA-N 1 0 319.471 0.649 10 0 DCAERO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000134485171 287016413 /nfs/dbraw/zinc/01/64/13/287016413.db2.gz WXJWTHYGDQKWTM-ZWKOTPCHSA-N 1 0 322.449 0.953 10 0 DCAERO COCCCCS(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000136123308 287025423 /nfs/dbraw/zinc/02/54/23/287025423.db2.gz KBXUBPFAXYYPPM-AWEZNQCLSA-N 1 0 321.487 0.216 10 0 DCAERO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000135564253 287023251 /nfs/dbraw/zinc/02/32/51/287023251.db2.gz HXXZAQBXCPHCMX-CRWXNKLISA-N 1 0 311.426 0.611 10 0 DCAERO C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000223871680 287043586 /nfs/dbraw/zinc/04/35/86/287043586.db2.gz COPHCFHUZISYMJ-YVECIDJPSA-N 1 0 305.444 0.318 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000180998226 287055985 /nfs/dbraw/zinc/05/59/85/287055985.db2.gz JSAOSPYCYONRJE-CYBMUJFWSA-N 1 0 322.409 0.416 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245424127 287069128 /nfs/dbraw/zinc/06/91/28/287069128.db2.gz JXCRVQAUCITWQR-LSDHHAIUSA-N 1 0 324.469 0.387 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245492451 287069847 /nfs/dbraw/zinc/06/98/47/287069847.db2.gz JMUWAIHIPVAEHH-QWHCGFSZSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000246424885 287083432 /nfs/dbraw/zinc/08/34/32/287083432.db2.gz JZDWQGYAOGRKNE-OLZOCXBDSA-N 1 0 301.431 0.898 10 0 DCAERO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246863945 287088704 /nfs/dbraw/zinc/08/87/04/287088704.db2.gz PSQRBYCKLIYEOW-CHWSQXEVSA-N 1 0 318.439 0.686 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000246631382 287086157 /nfs/dbraw/zinc/08/61/57/287086157.db2.gz WCFJJPPEUZROGY-UPJWGTAASA-N 1 0 312.414 0.145 10 0 DCAERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000248589735 287098240 /nfs/dbraw/zinc/09/82/40/287098240.db2.gz KQIXBXQXJVDDDW-XBFCOCLRSA-N 1 0 311.426 0.659 10 0 DCAERO CCCCOC[C@H](O)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248644436 287099127 /nfs/dbraw/zinc/09/91/27/287099127.db2.gz FKESLMLGUIDWRN-ARFHVFGLSA-N 1 0 302.459 0.941 10 0 DCAERO C[C@@H](O)C1CCN(C[C@H](O)C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000248731169 287100481 /nfs/dbraw/zinc/10/04/81/287100481.db2.gz KKJPLUJOWDJWDY-HALDLXJZSA-N 1 0 314.470 0.533 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)C1 ZINC000248740127 287100620 /nfs/dbraw/zinc/10/06/20/287100620.db2.gz DDPIMHFHPZFQLA-YRGRVCCFSA-N 1 0 311.426 0.347 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000253604127 287121896 /nfs/dbraw/zinc/12/18/96/287121896.db2.gz QNJYFOSZTLOIND-ZIAGYGMSSA-N 1 0 319.471 0.806 10 0 DCAERO COc1ccc(O)cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408061320 287233142 /nfs/dbraw/zinc/23/31/42/287233142.db2.gz FRHWLPDWWPNCMX-UKRRQHHQSA-N 1 0 306.362 0.946 10 0 DCAERO 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/nfs/dbraw/zinc/85/04/39/415850439.db2.gz DBUHLAUJVMWHGR-GFCCVEGCSA-N 1 0 323.397 0.069 10 0 DCAERO CC(C)S(=O)(=O)CCCN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000122020828 415822967 /nfs/dbraw/zinc/82/29/67/415822967.db2.gz XVGCEZVTRGXHTO-CABCVRRESA-N 1 0 318.483 0.852 10 0 DCAERO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000127206464 415886192 /nfs/dbraw/zinc/88/61/92/415886192.db2.gz MPIJQWQPGLJFCL-UWVGGRQHSA-N 1 0 318.377 1.000 10 0 DCAERO CN1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000127866501 415892176 /nfs/dbraw/zinc/89/21/76/415892176.db2.gz CZYISAQAWVFGGV-LSDHHAIUSA-N 1 0 305.426 0.730 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccn(C)c2=O)[C@@H](C)C1 ZINC000150780713 415962798 /nfs/dbraw/zinc/96/27/98/415962798.db2.gz MGDZOULYQMIJSJ-AAEUAGOBSA-N 1 0 320.393 0.169 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000154138115 415989133 /nfs/dbraw/zinc/98/91/33/415989133.db2.gz HZORMONQZPHEKQ-RYUDHWBXSA-N 1 0 322.409 0.260 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCOCCOC ZINC000155036020 415992242 /nfs/dbraw/zinc/99/22/42/415992242.db2.gz DUSAUAWZCQXIOK-ZIAGYGMSSA-N 1 0 320.455 0.538 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCCNC1=O ZINC000171896201 416041929 /nfs/dbraw/zinc/04/19/29/416041929.db2.gz ITUILAAGPCHDQO-QWHCGFSZSA-N 1 0 312.414 0.065 10 0 DCAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CN1CCOCC1 ZINC000172624449 416047276 /nfs/dbraw/zinc/04/72/76/416047276.db2.gz WXCXXSODAJWLOJ-LSDHHAIUSA-N 1 0 310.442 0.444 10 0 DCAERO CCOC(=O)C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C(C)C ZINC000338232026 416061864 /nfs/dbraw/zinc/06/18/64/416061864.db2.gz FWHDDOHXFISHHR-GFCCVEGCSA-N 1 0 306.428 0.541 10 0 DCAERO O=C(NCc1ccc(F)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173575534 416062527 /nfs/dbraw/zinc/06/25/27/416062527.db2.gz DWEUMFBVUIMUCV-AWEZNQCLSA-N 1 0 305.353 0.749 10 0 DCAERO O=c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)nc2ccccn12 ZINC000173995525 416070522 /nfs/dbraw/zinc/07/05/22/416070522.db2.gz 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416100918 /nfs/dbraw/zinc/10/09/18/416100918.db2.gz PEIWITJCRLAHTD-GFCCVEGCSA-N 1 0 308.444 0.035 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1cccc(F)c1 ZINC000312611359 416106585 /nfs/dbraw/zinc/10/65/85/416106585.db2.gz UYCKEJZOEUMYHA-CYBMUJFWSA-N 1 0 302.371 0.276 10 0 DCAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313622916 416106758 /nfs/dbraw/zinc/10/67/58/416106758.db2.gz HJHRMVBQGLJGEH-KRWDZBQOSA-N 1 0 306.406 0.854 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000175710806 416112043 /nfs/dbraw/zinc/11/20/43/416112043.db2.gz OIUVPSMWKLRBST-HNNXBMFYSA-N 1 0 317.437 0.414 10 0 DCAERO CN(C)c1ncccc1N(C)C(=O)CN(C)S(C)(=O)=O ZINC000176796607 416135093 /nfs/dbraw/zinc/13/50/93/416135093.db2.gz ONZWGLGNXNLJHM-UHFFFAOYSA-N 1 0 300.384 0.002 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000177594085 416147345 /nfs/dbraw/zinc/14/73/45/416147345.db2.gz TUSGQCOAVKFRMJ-GHMZBOCLSA-N 1 0 310.398 0.306 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCOCC1 ZINC000174609893 416081084 /nfs/dbraw/zinc/08/10/84/416081084.db2.gz MAUUDJLJCUVNBM-LSDHHAIUSA-N 1 0 310.442 0.587 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000178646722 416167664 /nfs/dbraw/zinc/16/76/64/416167664.db2.gz WNPTWNZPAZCFSC-JSGCOSHPSA-N 1 0 304.394 0.930 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)nn1 ZINC000178847057 416173623 /nfs/dbraw/zinc/17/36/23/416173623.db2.gz MMSKIWIPTPHSIV-ODOQXGPZSA-N 1 0 308.382 0.086 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 ZINC000329541457 416176811 /nfs/dbraw/zinc/17/68/11/416176811.db2.gz NIQMCBWDEIYDJZ-RWMBFGLXSA-N 1 0 310.398 0.265 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000179167247 416183528 /nfs/dbraw/zinc/18/35/28/416183528.db2.gz FNUDDXUKDRQWPV-GXTWGEPZSA-N 1 0 319.409 0.610 10 0 DCAERO CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000179715854 416192751 /nfs/dbraw/zinc/19/27/51/416192751.db2.gz UGJBWEBRFRYJHI-LLVKDONJSA-N 1 0 309.414 0.837 10 0 DCAERO COc1c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000180231601 416193273 /nfs/dbraw/zinc/19/32/73/416193273.db2.gz VUYAKLKOVHSOAP-IUODEOHRSA-N 1 0 308.426 0.890 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000182124866 416214633 /nfs/dbraw/zinc/21/46/33/416214633.db2.gz CBRLJUNZEWOWFM-ZDUSSCGKSA-N 1 0 314.426 0.881 10 0 DCAERO O=C(CN1Cc2ccccc2C1=O)NCCNc1cc[nH+]cc1 ZINC000358265104 416218478 /nfs/dbraw/zinc/21/84/78/416218478.db2.gz JCDPSDKZCWICEQ-UHFFFAOYSA-N 1 0 310.357 0.688 10 0 DCAERO CCN1CCN(C(=O)CC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000178201339 416159429 /nfs/dbraw/zinc/15/94/29/416159429.db2.gz COPFOLRDXANLCV-OAHLLOKOSA-N 1 0 322.453 0.141 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)C(C)C ZINC000183652690 416248515 /nfs/dbraw/zinc/24/85/15/416248515.db2.gz KAMALUZHJZIPNM-CQSZACIVSA-N 1 0 320.393 0.373 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)CC1 ZINC000185349268 416254036 /nfs/dbraw/zinc/25/40/36/416254036.db2.gz OYLVNOOPZJYKGA-OAHLLOKOSA-N 1 0 313.442 0.452 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c(C)c1 ZINC000190033507 416273766 /nfs/dbraw/zinc/27/37/66/416273766.db2.gz CSFSWMGBKSCUNT-AWEZNQCLSA-N 1 0 319.405 0.767 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc(C(N)=O)co2)C1 ZINC000190210797 416276803 /nfs/dbraw/zinc/27/68/03/416276803.db2.gz FUNYEWSSOVJHSN-NSHDSACASA-N 1 0 308.382 0.910 10 0 DCAERO CC1=C(C(=O)N2CC[NH+]3CCC2CC3)[C@@H](C)n2ncnc2N1C ZINC000192617057 416308159 /nfs/dbraw/zinc/30/81/59/416308159.db2.gz XOTAFQGLBFGMGT-GFCCVEGCSA-N 1 0 316.409 0.870 10 0 DCAERO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000193868302 416319632 /nfs/dbraw/zinc/31/96/32/416319632.db2.gz UWPRQDAGJXDIJH-UHFFFAOYSA-N 1 0 313.423 0.652 10 0 DCAERO CC[C@H](C)[C@@H](NC(=O)CN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000193805985 416319706 /nfs/dbraw/zinc/31/97/06/416319706.db2.gz CTOFYXSWLVBCAJ-SWLSCSKDSA-N 1 0 313.442 0.716 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)[C@H](C)C1 ZINC000190852425 416283868 /nfs/dbraw/zinc/28/38/68/416283868.db2.gz IJHRFIXYQZZCPZ-BXUZGUMPSA-N 1 0 321.425 0.856 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCO1 ZINC000191870647 416291705 /nfs/dbraw/zinc/29/17/05/416291705.db2.gz YLAPTDGPSDZEPP-HIFRSBDPSA-N 1 0 318.377 0.364 10 0 DCAERO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000192016103 416297317 /nfs/dbraw/zinc/29/73/17/416297317.db2.gz HFVBWDNCHPKZMM-GFCCVEGCSA-N 1 0 317.455 0.353 10 0 DCAERO CC[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247376698 416332833 /nfs/dbraw/zinc/33/28/33/416332833.db2.gz VKVXOARDZWWTJQ-RRFJBIMHSA-N 1 0 302.459 0.939 10 0 DCAERO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248370712 416333441 /nfs/dbraw/zinc/33/34/41/416333441.db2.gz XVRSVDNCUCNZTD-RYUDHWBXSA-N 1 0 303.366 0.069 10 0 DCAERO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000252801298 416334614 /nfs/dbraw/zinc/33/46/14/416334614.db2.gz CNOZNBUGAWOHHB-YUELXQCFSA-N 1 0 316.405 0.962 10 0 DCAERO Brc1cncnc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261588995 416335738 /nfs/dbraw/zinc/33/57/38/416335738.db2.gz WALYWZXUEZYAGF-JTQLQIEISA-N 1 0 312.215 0.723 10 0 DCAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000261830450 416336048 /nfs/dbraw/zinc/33/60/48/416336048.db2.gz HXLXKYOGHJTAKO-UONOGXRCSA-N 1 0 323.437 0.614 10 0 DCAERO CCCCOCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000194510276 416323776 /nfs/dbraw/zinc/32/37/76/416323776.db2.gz SYGFJZUTKDMHLD-AWEZNQCLSA-N 1 0 301.431 0.949 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000194656909 416324507 /nfs/dbraw/zinc/32/45/07/416324507.db2.gz NSNFEBHJKHQLDY-MNOVXSKESA-N 1 0 321.343 0.998 10 0 DCAERO CCCCOC[C@H](O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000195181555 416325309 /nfs/dbraw/zinc/32/53/09/416325309.db2.gz MAAOZKNGOMLQPB-JKSUJKDBSA-N 1 0 300.443 0.818 10 0 DCAERO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC[NH3+])C2=O ZINC000237774021 416328597 /nfs/dbraw/zinc/32/85/97/416328597.db2.gz QLXUMKCOEUENRO-ZBEGNZNMSA-N 1 0 324.425 0.588 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000237955345 416329114 /nfs/dbraw/zinc/32/91/14/416329114.db2.gz TXUVDIYPNCVTSB-LSDHHAIUSA-N 1 0 322.453 0.271 10 0 DCAERO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246489689 416331893 /nfs/dbraw/zinc/33/18/93/416331893.db2.gz PIDPAAVTSFEZKT-BMFZPTHFSA-N 1 0 303.406 0.866 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccn(C)c2=O)C1 ZINC000246415685 416331984 /nfs/dbraw/zinc/33/19/84/416331984.db2.gz MGDZOULYQMIJSJ-DGCLKSJQSA-N 1 0 320.393 0.169 10 0 DCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCN(Cc3cc(C)on3)CC2)C1 ZINC000583618153 416477512 /nfs/dbraw/zinc/47/75/12/416477512.db2.gz GFELHQIDLWRBIX-KBPBESRZSA-N 1 0 308.382 0.004 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCS1(=O)=O ZINC000423202779 416478952 /nfs/dbraw/zinc/47/89/52/416478952.db2.gz LFSVISFXIQPZQN-YPMHNXCESA-N 1 0 302.440 0.930 10 0 DCAERO CN(Cc1nnnn1C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583620127 416481038 /nfs/dbraw/zinc/48/10/38/416481038.db2.gz BGHFAMJVCKEGBH-SWLSCSKDSA-N 1 0 318.429 0.459 10 0 DCAERO Cc1nccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000361314747 416428970 /nfs/dbraw/zinc/42/89/70/416428970.db2.gz GPWSIOXNLYNWQB-UHFFFAOYSA-N 1 0 306.410 0.444 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)CCCOc2cccnc2)CC1 ZINC000361577133 416455471 /nfs/dbraw/zinc/45/54/71/416455471.db2.gz LBPRIDMPVNLHIX-UHFFFAOYSA-N 1 0 320.437 0.946 10 0 DCAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000459280117 416531756 /nfs/dbraw/zinc/53/17/56/416531756.db2.gz BYOYGAJWPDSCKK-GJZGRUSLSA-N 1 0 310.442 0.444 10 0 DCAERO C[C@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)[NH+](C)C ZINC000434719714 416492850 /nfs/dbraw/zinc/49/28/50/416492850.db2.gz 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ZINC000631980902 416846830 /nfs/dbraw/zinc/84/68/30/416846830.db2.gz JFISIVALVONJIE-TXEJJXNPSA-N 1 0 305.444 0.592 10 0 DCAERO C(CN1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1)N1CCOCC1 ZINC000624221763 416982972 /nfs/dbraw/zinc/98/29/72/416982972.db2.gz HOOSDDQQJUAGTN-ZWKOTPCHSA-N 1 0 323.481 0.940 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cnn(C)c(=O)c1Br ZINC000389724761 417099397 /nfs/dbraw/zinc/09/93/97/417099397.db2.gz JQNMFTORJKSLEO-SFYZADRCSA-N 1 0 301.188 0.953 10 0 DCAERO C[C@@H](CNC(=O)N1CCOCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000378434125 417079315 /nfs/dbraw/zinc/07/93/15/417079315.db2.gz UGUOPKCTLDBYRN-GJZGRUSLSA-N 1 0 312.458 0.690 10 0 DCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616635647 417088547 /nfs/dbraw/zinc/08/85/47/417088547.db2.gz DGRWQIXLHKGDED-CYBMUJFWSA-N 1 0 307.398 0.948 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccccc1Cl ZINC000388452272 417095042 /nfs/dbraw/zinc/09/50/42/417095042.db2.gz YNMBDZXAGCVHCF-LLVKDONJSA-N 1 0 304.799 0.748 10 0 DCAERO 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ZINC000191862428 261138136 /nfs/dbraw/zinc/13/81/36/261138136.db2.gz NMPRFRQFFPRXOJ-VNQPRFMTSA-N 1 0 306.406 0.768 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](CO)O1 ZINC000191862401 261138510 /nfs/dbraw/zinc/13/85/10/261138510.db2.gz NMPRFRQFFPRXOJ-FVQBIDKESA-N 1 0 306.406 0.768 10 0 DCAERO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194728500 261147493 /nfs/dbraw/zinc/14/74/93/261147493.db2.gz ICOAYGARSYFECX-ZDUSSCGKSA-N 1 0 316.409 0.884 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000362231403 262013184 /nfs/dbraw/zinc/01/31/84/262013184.db2.gz SQBIEFURDUPLKM-UHFFFAOYSA-N 1 0 308.430 0.353 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000362786979 262072982 /nfs/dbraw/zinc/07/29/82/262072982.db2.gz FUMJCVDQXGUMMX-CQSZACIVSA-N 1 0 305.426 0.151 10 0 DCAERO C[NH+]1CCC(CC(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000362855825 262080793 /nfs/dbraw/zinc/08/07/93/262080793.db2.gz OFMLDRROOAGWTB-UHFFFAOYSA-N 1 0 305.426 0.786 10 0 DCAERO C[NH+](C)Cc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363855158 262135101 /nfs/dbraw/zinc/13/51/01/262135101.db2.gz MNRRERLOQRTULU-INIZCTEOSA-N 1 0 303.406 0.905 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCCN2CCOCC2)CC1 ZINC000358641953 271059806 /nfs/dbraw/zinc/05/98/06/271059806.db2.gz ACBRIEKDNBKSEZ-UHFFFAOYSA-N 1 0 310.442 0.660 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000436388225 271592258 /nfs/dbraw/zinc/59/22/58/271592258.db2.gz NHFFKDHSTXDPDF-QGZVFWFLSA-N 1 0 321.421 0.588 10 0 DCAERO COc1cccc2c1CC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)C2 ZINC000459702919 272004768 /nfs/dbraw/zinc/00/47/68/272004768.db2.gz GBYTUWSLRYHENQ-KGLIPLIRSA-N 1 0 302.378 0.795 10 0 DCAERO CCOc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)ccc1OC ZINC000459700564 272005617 /nfs/dbraw/zinc/00/56/17/272005617.db2.gz PUDYHDVZOYPSSN-ZDUSSCGKSA-N 1 0 306.366 0.836 10 0 DCAERO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000512410038 272398084 /nfs/dbraw/zinc/39/80/84/272398084.db2.gz HGXSZOWWYWLVCG-BFHYXJOUSA-N 1 0 313.442 0.803 10 0 DCAERO Cn1ncc2cc(C(=O)N3CCN(CC[NH+](C)C)CC3)cnc21 ZINC000531099426 272755472 /nfs/dbraw/zinc/75/54/72/272755472.db2.gz YFJOKZMROOWIBW-UHFFFAOYSA-N 1 0 316.409 0.288 10 0 DCAERO CC(C)NC(=O)CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000171035792 273538643 /nfs/dbraw/zinc/53/86/43/273538643.db2.gz FMPIWSPKZREXJO-UHFFFAOYSA-N 1 0 319.409 0.217 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC000329389905 276234715 /nfs/dbraw/zinc/23/47/15/276234715.db2.gz SCHBSHYRDQEWPK-UHOFOFEASA-N 1 0 318.421 0.836 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(O)CCCN(C(C)=O)C1 ZINC000408050230 276370527 /nfs/dbraw/zinc/37/05/27/276370527.db2.gz CKMNUCCMGYJKRY-ZBFHGGJFSA-N 1 0 311.426 0.303 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328654081 276973667 /nfs/dbraw/zinc/97/36/67/276973667.db2.gz CMRYETAQTYGYQP-JKSUJKDBSA-N 1 0 323.437 0.568 10 0 DCAERO CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCC[C@H](NC(C)=O)C2)C1 ZINC000114714769 277046325 /nfs/dbraw/zinc/04/63/25/277046325.db2.gz APGQNWJCRQUGMZ-IYBDPMFKSA-N 1 0 310.442 0.187 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)ncn3)[C@@H]2C1 ZINC000330347918 277146674 /nfs/dbraw/zinc/14/66/74/277146674.db2.gz IGFAYNPDIKSEDO-RBSFLKMASA-N 1 0 317.437 0.968 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000261618746 277294009 /nfs/dbraw/zinc/29/40/09/277294009.db2.gz BBKSGLJWBMWCMT-QMMMGPOBSA-N 1 0 320.798 0.997 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000545858444 288002718 /nfs/dbraw/zinc/00/27/18/288002718.db2.gz DZOUNIHJBOALKV-RRFJBIMHSA-N 1 0 320.437 0.947 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000188723447 278008784 /nfs/dbraw/zinc/00/87/84/278008784.db2.gz VOOARAMXCOHRPQ-CYBMUJFWSA-N 1 0 321.421 0.936 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000329383696 278068779 /nfs/dbraw/zinc/06/87/79/278068779.db2.gz OQNVRIFNLJLAGY-PMOUVXMZSA-N 1 0 309.410 0.053 10 0 DCAERO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)[C@H]1COc2ccccc21 ZINC000185577238 278266229 /nfs/dbraw/zinc/26/62/29/278266229.db2.gz FRCSIXBJBNKTGM-SMDDNHRTSA-N 1 0 315.373 0.738 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546915182 288033890 /nfs/dbraw/zinc/03/38/90/288033890.db2.gz VGQZRRKMNGUAQA-KGLIPLIRSA-N 1 0 308.426 0.923 10 0 DCAERO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547272957 288035469 /nfs/dbraw/zinc/03/54/69/288035469.db2.gz RKEYQEFSQIKMQQ-ZIAGYGMSSA-N 1 0 308.426 0.852 10 0 DCAERO COCCO[C@@H]1COCC[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000547625779 288063194 /nfs/dbraw/zinc/06/31/94/288063194.db2.gz JKWRPXQALMJKRK-ZIAGYGMSSA-N 1 0 317.430 0.400 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000548060498 288107562 /nfs/dbraw/zinc/10/75/62/288107562.db2.gz CIGVRIIMGYXOGT-ZQIUZPCESA-N 1 0 319.405 0.342 10 0 DCAERO CCN(CCC[NH2+][C@H](C)C(=O)N1CCCC1)S(C)(=O)=O 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526760280 /nfs/dbraw/zinc/76/02/80/526760280.db2.gz RIYDFPLJTCGWRU-SNVBAGLBSA-N 1 0 315.395 0.355 10 0 DCAERO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1ccc(F)c(F)c1F ZINC000157390252 527228362 /nfs/dbraw/zinc/22/83/62/527228362.db2.gz OPFALFUVTYMXQC-SSDOTTSWSA-N 1 0 310.297 0.371 10 0 DCAERO CC[NH+]1CCC(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000328626909 528989264 /nfs/dbraw/zinc/98/92/64/528989264.db2.gz FPHZUFOXFGPWJH-OAHLLOKOSA-N 1 0 319.453 0.823 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@@H]2C1 ZINC000284866482 536479962 /nfs/dbraw/zinc/47/99/62/536479962.db2.gz DWPXJJUYEYBYBO-ZIAGYGMSSA-N 1 0 318.377 0.722 10 0 DCAERO COC(=O)c1ccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nc1OC ZINC000285009762 536737732 /nfs/dbraw/zinc/73/77/32/536737732.db2.gz MHAGXFLZEAHLBF-QWHCGFSZSA-N 1 0 321.377 0.786 10 0 DCAERO COC(=O)c1cc(C)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000457624932 536881289 /nfs/dbraw/zinc/88/12/89/536881289.db2.gz VKEBTVCOTNEXRV-UHFFFAOYSA-N 1 0 320.389 0.968 10 0 DCAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000079513517 545686138 /nfs/dbraw/zinc/68/61/38/545686138.db2.gz RTRIIXRWHIPJMO-HZMBPMFUSA-N 1 0 311.407 0.653 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](Cn2cc(C[NH2+]C3CC3)nn2)C1 ZINC000093703092 545728091 /nfs/dbraw/zinc/72/80/91/545728091.db2.gz DJLBEMSBKOZULE-NSHDSACASA-N 1 0 313.427 0.202 10 0 DCAERO Cc1cc(N2CC[NH+](CCn3ccnc3)CC2)n2ncnc2n1 ZINC000131139713 545789798 /nfs/dbraw/zinc/78/97/98/545789798.db2.gz PPUIHFAEPLGMKQ-UHFFFAOYSA-N 1 0 312.381 0.451 10 0 DCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000136442665 545806324 /nfs/dbraw/zinc/80/63/24/545806324.db2.gz NMJSOXOOGPCBEY-ZDUSSCGKSA-N 1 0 313.423 0.366 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000183655389 545908756 /nfs/dbraw/zinc/90/87/56/545908756.db2.gz VYHPVSCKEZCLBI-GDBMZVCRSA-N 1 0 322.405 0.989 10 0 DCAERO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1S(N)(=O)=O ZINC000185086448 545912575 /nfs/dbraw/zinc/91/25/75/545912575.db2.gz QWPLGSIKXOCBLE-XQQFMLRXSA-N 1 0 323.418 0.452 10 0 DCAERO CCOc1cnc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)cn1 ZINC000189915762 545923350 /nfs/dbraw/zinc/92/33/50/545923350.db2.gz HZTMANDWWUXFCO-CHWSQXEVSA-N 1 0 322.409 0.793 10 0 DCAERO Cc1c[nH+]ccc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000191977340 545927024 /nfs/dbraw/zinc/92/70/24/545927024.db2.gz RDPFTGHQRPFLJY-UHFFFAOYSA-N 1 0 304.394 0.371 10 0 DCAERO COc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1F ZINC000192955064 545929532 /nfs/dbraw/zinc/92/95/32/545929532.db2.gz LMJJXPDTEXFUMB-LLVKDONJSA-N 1 0 302.371 0.958 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cnn1Cc1ccccc1 ZINC000262080157 545978543 /nfs/dbraw/zinc/97/85/43/545978543.db2.gz CIARYOZCTYIMHI-HOCLYGCPSA-N 1 0 314.389 0.550 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccccc1F ZINC000262080210 545978790 /nfs/dbraw/zinc/97/87/90/545978790.db2.gz CIGTWXASUPXXLR-RNCFNFMXSA-N 1 0 304.325 0.526 10 0 DCAERO 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/nfs/dbraw/zinc/98/24/88/545982488.db2.gz PEVUGVHFKVNFCE-UONOGXRCSA-N 1 0 317.393 0.397 10 0 DCAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262318577 545983574 /nfs/dbraw/zinc/98/35/74/545983574.db2.gz DWBIYGDMPDJIIV-IINYFYTJSA-N 1 0 312.316 0.624 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cnn1-c1cccc(C)c1 ZINC000262340421 545983581 /nfs/dbraw/zinc/98/35/81/545983581.db2.gz SYMPVNHXDPEJQS-XJKSGUPXSA-N 1 0 314.389 0.799 10 0 DCAERO O=C(Cc1cccc(Br)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262338906 545983902 /nfs/dbraw/zinc/98/39/02/545983902.db2.gz SWPGISUSKAPWNI-CMPLNLGQSA-N 1 0 313.195 0.688 10 0 DCAERO COc1ccc2nc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)ccc2c1 ZINC000262388042 545985421 /nfs/dbraw/zinc/98/54/21/545985421.db2.gz XQRDNFAVAWTQCE-NHYWBVRUSA-N 1 0 301.346 0.554 10 0 DCAERO COc1ccc(-n2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000262388010 545985455 /nfs/dbraw/zinc/98/54/55/545985455.db2.gz XPQFQORNBDHVKJ-ABAIWWIYSA-N 1 0 316.361 0.191 10 0 DCAERO 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/nfs/dbraw/zinc/25/20/55/546252055.db2.gz CRVSAXGWAVBUOV-UHFFFAOYSA-N 1 0 320.393 0.796 10 0 DCAERO CN1[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256343 548748911 /nfs/dbraw/zinc/74/89/11/548748911.db2.gz GCDMRKCDVYSZBV-GXFFZTMASA-N 1 0 319.427 0.359 10 0 DCAERO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@@H]1C(C)C ZINC000888094554 661161727 /nfs/dbraw/zinc/16/17/27/661161727.db2.gz BHIHVMKQNKLBSL-AVRGHOLYSA-N 1 0 321.425 0.333 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC000888094566 661161898 /nfs/dbraw/zinc/16/18/98/661161898.db2.gz BOGHCEWTUOLFQE-MPTQWLOMSA-N 1 0 311.426 0.061 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cncn1C)C2 ZINC000888095342 661165895 /nfs/dbraw/zinc/16/58/95/661165895.db2.gz WHRSVJQZOCCBIZ-UYHMYPTGSA-N 1 0 306.410 0.630 10 0 DCAERO O=S(=O)(NC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CCC[NH2+]C1 ZINC000722409247 661176863 /nfs/dbraw/zinc/17/68/63/661176863.db2.gz CFGKYYMOVMTQFM-LPEHRKFASA-N 1 0 316.345 0.768 10 0 DCAERO CNC(=O)c1cccc(CCNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262321341 657533084 /nfs/dbraw/zinc/53/30/84/657533084.db2.gz RJXAMSOMELWUMZ-UHFFFAOYSA-N 1 0 319.405 0.460 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309159 657709112 /nfs/dbraw/zinc/70/91/12/657709112.db2.gz DGIGRTCKXKADAG-UKRRQHHQSA-N 1 0 306.410 0.903 10 0 DCAERO CC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000723999537 657827682 /nfs/dbraw/zinc/82/76/82/657827682.db2.gz NMYSUFSDDIEEAV-XQQFMLRXSA-N 1 0 306.428 0.099 10 0 DCAERO C[N@@H+](CC(C)(CO)CO)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724072622 657936277 /nfs/dbraw/zinc/93/62/77/657936277.db2.gz JAMLWIGUOFYMRN-VIFPVBQESA-N 1 0 309.275 0.858 10 0 DCAERO C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)S(C)(=O)=O ZINC000724097245 657959456 /nfs/dbraw/zinc/95/94/56/657959456.db2.gz UXRLPEVQKOKQGV-RQJHMYQMSA-N 1 0 313.288 0.958 10 0 DCAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113959 657980871 /nfs/dbraw/zinc/98/08/71/657980871.db2.gz KDUXJHXPJIVMKD-BQBZGAKWSA-N 1 0 313.288 0.958 10 0 DCAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1(C)C ZINC000725043586 658080749 /nfs/dbraw/zinc/08/07/49/658080749.db2.gz NJJUDWTWPSFSMI-JHJVBQTASA-N 1 0 304.456 0.556 10 0 DCAERO C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000187738709 658223957 /nfs/dbraw/zinc/22/39/57/658223957.db2.gz ISOYMGUJXULRLH-ABAIWWIYSA-N 1 0 300.349 0.997 10 0 DCAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CCc2ccccn2)C1 ZINC000888077284 658717224 /nfs/dbraw/zinc/71/72/24/658717224.db2.gz ZGUHONVFQUGANX-INIZCTEOSA-N 1 0 301.394 0.822 10 0 DCAERO CCc1ncnc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1F ZINC000888078035 658721505 /nfs/dbraw/zinc/72/15/05/658721505.db2.gz DNKBZCVSBJWPQO-NEPJUHHUSA-N 1 0 305.361 0.761 10 0 DCAERO O[C@H](C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)COCc1ccccc1 ZINC000724624365 658741564 /nfs/dbraw/zinc/74/15/64/658741564.db2.gz WXNNUUICMZXRCW-VQHPVUNQSA-N 1 0 307.390 0.958 10 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/nfs/dbraw/zinc/84/59/12/661845912.db2.gz XJHNBYPLUGFHIJ-SECBINFHSA-N 1 0 314.798 0.957 10 0 DCAERO CCCC(=O)NCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262441966 662390684 /nfs/dbraw/zinc/39/06/84/662390684.db2.gz UTRVEVIYYVXGMX-UHFFFAOYSA-N 1 0 306.366 0.230 10 0 DCAERO COC(=O)c1cn(CN2CCC[C@H](C(=O)NCC3CC3)C2)nn1 ZINC000054521608 662884391 /nfs/dbraw/zinc/88/43/91/662884391.db2.gz RHMKRLPYSUKFTF-LBPRGKRZSA-N 1 0 321.381 0.260 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900712324 663274402 /nfs/dbraw/zinc/27/44/02/663274402.db2.gz XQFVBQFIRSMEQX-ZMJPVWNMSA-N 1 0 305.382 0.283 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855421 663648900 /nfs/dbraw/zinc/64/89/00/663648900.db2.gz IVQSGYYMJNEERH-NWDGAFQWSA-N 1 0 303.428 0.140 10 0 DCAERO COc1cc(CO)ccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000908096888 663733206 /nfs/dbraw/zinc/73/32/06/663733206.db2.gz NVYBNTBZDZIAKV-LSDHHAIUSA-N 1 0 320.389 0.733 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)N(C(C)=O)C1 ZINC000913278182 664296885 /nfs/dbraw/zinc/29/68/85/664296885.db2.gz BXFSNPWRPPZNEL-FSDCSDTHSA-N 1 0 323.437 0.422 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349057666 664355340 /nfs/dbraw/zinc/35/53/40/664355340.db2.gz RNRRYMPLASHRHQ-RISCZKNCSA-N 1 0 320.418 0.758 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164566679 664382199 /nfs/dbraw/zinc/38/21/99/664382199.db2.gz OQRHURPMHUSAQE-MELADBBJSA-N 1 0 311.451 0.851 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223176539 664403506 /nfs/dbraw/zinc/40/35/06/664403506.db2.gz CZENFICNOXSNHV-NSHDSACASA-N 1 0 321.377 0.043 10 0 DCAERO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COC(=O)N3)cc2)CC1 ZINC000062637483 664622098 /nfs/dbraw/zinc/62/20/98/664622098.db2.gz OKRGGINVTUSVBZ-ZDUSSCGKSA-N 1 0 304.350 0.485 10 0 DCAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000173763188 664631132 /nfs/dbraw/zinc/63/11/32/664631132.db2.gz JIZTWWFRWQEFOT-LSDHHAIUSA-N 1 0 312.435 0.960 10 0 DCAERO CN1C(=O)C(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000151807157 664716729 /nfs/dbraw/zinc/71/67/29/664716729.db2.gz HJRKFWIKQVFQAF-UHFFFAOYSA-N 1 0 308.382 0.172 10 0 DCAERO CCOCC[N@@H+]1CCN(CN2CCOC2=S)C[C@@H]1CC ZINC000152615487 664766573 /nfs/dbraw/zinc/76/65/73/664766573.db2.gz FBMANWHYZJRANH-ZDUSSCGKSA-N 1 0 301.456 0.994 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000085793384 666013534 /nfs/dbraw/zinc/01/35/34/666013534.db2.gz RPWNSDMIPXDMCD-LBPRGKRZSA-N 1 0 304.412 0.107 10 0 DCAERO CO[C@H]1C[N@H+](CC(=O)N2CCC3(CC2)OCCO3)CC[C@@H]1C ZINC000189308321 666105897 /nfs/dbraw/zinc/10/58/97/666105897.db2.gz DQUDIDIFAWMVBP-KBPBESRZSA-N 1 0 312.410 0.709 10 0 DCAERO CNC(=O)CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185893770 666612956 /nfs/dbraw/zinc/61/29/56/666612956.db2.gz HPDDTOXBZWWVPG-UHFFFAOYSA-N 1 0 304.394 0.903 10 0 DCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000700958897 666782040 /nfs/dbraw/zinc/78/20/40/666782040.db2.gz VWTKQLLEDZOXFY-AXFHLTTASA-N 1 0 306.453 0.150 10 0 DCAERO CC1=C(C(=O)N2CCN(CC[NH+](C)C)CC2)C(=O)OC1(C)C ZINC000734121071 666849967 /nfs/dbraw/zinc/84/99/67/666849967.db2.gz BGTZZLZERXIHLM-UHFFFAOYSA-N 1 0 309.410 0.344 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)CCCn2ccccc2=O)CC1 ZINC000735030898 666939478 /nfs/dbraw/zinc/93/94/78/666939478.db2.gz PBYRNNQWYMGKSF-UHFFFAOYSA-N 1 0 320.437 0.334 10 0 DCAERO CC(C)OC(=O)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702391115 666948014 /nfs/dbraw/zinc/94/80/14/666948014.db2.gz WRGMHIGRRPGVGX-AWEZNQCLSA-N 1 0 307.394 0.514 10 0 DCAERO CC[S@@](=O)CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000736658708 667213694 /nfs/dbraw/zinc/21/36/94/667213694.db2.gz FGQCOJWMKKCYQE-OAQYLSRUSA-N 1 0 319.471 0.555 10 0 DCAERO OCC[NH2+][C@@H]1CCCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000708554841 667444369 /nfs/dbraw/zinc/44/43/69/667444369.db2.gz BYVZZTXESTXGAO-OAHLLOKOSA-N 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/nfs/dbraw/zinc/18/39/29/670183929.db2.gz KPMKGFFKSASFEL-NSHDSACASA-N 1 0 302.421 0.904 10 0 DCAERO C[C@](O)(C[N@@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000818325181 671004364 /nfs/dbraw/zinc/00/43/64/671004364.db2.gz WZMREXLRHKFTCI-CJNGLKHVSA-N 1 0 315.377 0.532 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N(C)CCS(C)(=O)=O)CC1 ZINC000102807254 671863233 /nfs/dbraw/zinc/86/32/33/671863233.db2.gz PQVAJCVIDMNUAB-UHFFFAOYSA-N 1 0 319.471 0.794 10 0 DCAERO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000390306905 685259685 /nfs/dbraw/zinc/25/96/85/685259685.db2.gz BMQONBABUMRKEC-GFCCVEGCSA-N 1 0 308.350 0.527 10 0 DCAERO CON(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000397469439 685272500 /nfs/dbraw/zinc/27/25/00/685272500.db2.gz SKSJRNGJGIVVBZ-LLVKDONJSA-N 1 0 301.387 0.995 10 0 DCAERO CC(C)OCCS(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720811969 685315853 /nfs/dbraw/zinc/31/58/53/685315853.db2.gz RWNAHHUKVZOGGP-UWVGGRQHSA-N 1 0 318.361 0.810 10 0 DCAERO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCCC1 ZINC000720165223 685312626 /nfs/dbraw/zinc/31/26/26/685312626.db2.gz LLYDMRZINHXASR-GFCCVEGCSA-N 1 0 303.428 0.075 10 0 DCAERO COCC[N@@H+]1CC[C@@H](NCc2cn(C)nc2Br)C1 ZINC000720660979 685314203 /nfs/dbraw/zinc/31/42/03/685314203.db2.gz PIHHWFVBDDSHNP-LLVKDONJSA-N 1 0 317.231 0.993 10 0 DCAERO CN(C)S(=O)(=O)CCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720793980 685314450 /nfs/dbraw/zinc/31/44/50/685314450.db2.gz LPVPXDCOIPVTIU-UWVGGRQHSA-N 1 0 317.377 0.337 10 0 DCAERO C[C@H](CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)CS(C)(=O)=O ZINC000720805275 685315258 /nfs/dbraw/zinc/31/52/58/685315258.db2.gz LUDSGQOZPLDMDE-KXUCPTDWSA-N 1 0 302.362 0.736 10 0 DCAERO Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3CNC(=O)C3)C2)nc(C)n1 ZINC000246268018 685163470 /nfs/dbraw/zinc/16/34/70/685163470.db2.gz QDQXMPUKNRNHAG-STQMWFEESA-N 1 0 318.377 0.742 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876170 685167514 /nfs/dbraw/zinc/16/75/14/685167514.db2.gz 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/nfs/dbraw/zinc/36/69/81/204366981.db2.gz KVWYRVHJIHHNNB-UHFFFAOYSA-N 1 0 315.381 0.105 10 0 DCAERO Cc1ccc(Cn2nc(C(=O)NCC[NH+](C)C)ccc2=O)cc1 ZINC000011782040 181705570 /nfs/dbraw/zinc/70/55/70/181705570.db2.gz GRAIFGKNPIVGBS-UHFFFAOYSA-N 1 0 314.389 0.891 10 0 DCAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037819854 182929279 /nfs/dbraw/zinc/92/92/79/182929279.db2.gz GJKWAMSGXPIPLX-VXNVDRBHSA-N 1 0 303.156 0.723 10 0 DCAERO CN1CCO[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000104799967 194041990 /nfs/dbraw/zinc/04/19/90/194041990.db2.gz PZSDQDNTJFIIRR-CVEARBPZSA-N 1 0 320.437 0.919 10 0 DCAERO C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)C[NH+]1CCCCC1 ZINC000105167646 194080740 /nfs/dbraw/zinc/08/07/40/194080740.db2.gz MUCCVDMIOXHYCP-CABCVRRESA-N 1 0 312.458 0.738 10 0 DCAERO CCNC(=O)CC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865889 194149646 /nfs/dbraw/zinc/14/96/46/194149646.db2.gz GELHBCZJYZTLSU-UHFFFAOYSA-N 1 0 307.442 0.681 10 0 DCAERO CCNC(=O)NC(=O)CN1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000105837510 194144030 /nfs/dbraw/zinc/14/40/30/194144030.db2.gz MQYQOUHTSSKUIS-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873800 194152573 /nfs/dbraw/zinc/15/25/73/194152573.db2.gz ROSNWNISJZEVNY-QWRGUYRKSA-N 1 0 322.413 0.540 10 0 DCAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](n3cncn3)C2)C1=O ZINC000105898821 194164502 /nfs/dbraw/zinc/16/45/02/194164502.db2.gz GLTKNYCZZFARNU-LBPRGKRZSA-N 1 0 320.397 0.636 10 0 DCAERO COCC[N@@H+]1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000106108669 194187047 /nfs/dbraw/zinc/18/70/47/194187047.db2.gz WHJKKWUZYWUGSZ-RYUDHWBXSA-N 1 0 323.445 0.233 10 0 DCAERO NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113997 184206639 /nfs/dbraw/zinc/20/66/39/184206639.db2.gz CYFNFYLTXVTLPU-SSDOTTSWSA-N 1 0 303.771 0.535 10 0 DCAERO C[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000063159834 184275011 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/nfs/dbraw/zinc/90/12/93/395901293.db2.gz USOGRKYJHGWJJY-UHFFFAOYSA-N 1 0 302.378 0.775 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000237104064 395902910 /nfs/dbraw/zinc/90/29/10/395902910.db2.gz SDRJLDKMLOXDJJ-UHFFFAOYSA-N 1 0 312.391 0.846 10 0 DCAERO CN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000245467548 395929996 /nfs/dbraw/zinc/92/99/96/395929996.db2.gz SGYUOHUFQSHQFH-CVEARBPZSA-N 1 0 305.422 0.606 10 0 DCAERO Cn1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1=O ZINC000125561129 395903991 /nfs/dbraw/zinc/90/39/91/395903991.db2.gz PXMKSEVMDLEFCO-GFCCVEGCSA-N 1 0 318.377 0.021 10 0 DCAERO COCC[NH2+]CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000237225993 395908198 /nfs/dbraw/zinc/90/81/98/395908198.db2.gz POKBQJBFIIZLRJ-GFCCVEGCSA-N 1 0 303.366 0.681 10 0 DCAERO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NCCC[NH3+])cc12 ZINC000237332503 395910586 /nfs/dbraw/zinc/91/05/86/395910586.db2.gz XHOHLADJTCELDD-SECBINFHSA-N 1 0 323.422 0.527 10 0 DCAERO O=S1(=O)CCC[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000134079846 395930663 /nfs/dbraw/zinc/93/06/63/395930663.db2.gz UMUUWSZWPMHTGB-AAEUAGOBSA-N 1 0 303.380 0.324 10 0 DCAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000238131818 395922270 /nfs/dbraw/zinc/92/22/70/395922270.db2.gz HRMYWUPUZOBLAR-CVEARBPZSA-N 1 0 303.406 0.756 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000273503096 395925363 /nfs/dbraw/zinc/92/53/63/395925363.db2.gz MLSUQANNVFHHJB-UHFFFAOYSA-N 1 0 311.407 0.797 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000118856412 395865644 /nfs/dbraw/zinc/86/56/44/395865644.db2.gz YOROVHINAVRPDQ-HNNXBMFYSA-N 1 0 323.412 0.830 10 0 DCAERO NC(=O)CC1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000052941481 395873273 /nfs/dbraw/zinc/87/32/73/395873273.db2.gz RMQCALGSLLCAGX-HUUCEWRRSA-N 1 0 323.437 0.744 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245412529 395928239 /nfs/dbraw/zinc/92/82/39/395928239.db2.gz 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ZINC000246283743 395946319 /nfs/dbraw/zinc/94/63/19/395946319.db2.gz APEUGZXHFJNKIM-HOTGVXAUSA-N 1 0 309.454 0.897 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000246405549 395948736 /nfs/dbraw/zinc/94/87/36/395948736.db2.gz QCTDNENMSFCNHO-OLZOCXBDSA-N 1 0 319.471 0.935 10 0 DCAERO CN1CCO[C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246393881 395949038 /nfs/dbraw/zinc/94/90/38/395949038.db2.gz WGIMBVKKUVPTLP-HOTGVXAUSA-N 1 0 305.422 0.606 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000246479005 395950558 /nfs/dbraw/zinc/95/05/58/395950558.db2.gz LEKKDJCUDCZQSW-CHWSQXEVSA-N 1 0 322.413 0.680 10 0 DCAERO CC1(C)COCCN1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246514101 395951369 /nfs/dbraw/zinc/95/13/69/395951369.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 1 0 324.469 0.977 10 0 DCAERO C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCOCC1 ZINC000246525593 395952120 /nfs/dbraw/zinc/95/21/20/395952120.db2.gz WDRDRAYDKFLYEI-XHSDSOJGSA-N 1 0 324.469 0.975 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246591695 395953361 /nfs/dbraw/zinc/95/33/61/395953361.db2.gz RKWBGYGQPHJASQ-OLZOCXBDSA-N 1 0 309.414 0.280 10 0 DCAERO C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000246734524 395956219 /nfs/dbraw/zinc/95/62/19/395956219.db2.gz YOGUJWBPNUJABM-GRYCIOLGSA-N 1 0 302.440 0.928 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000060416557 395961911 /nfs/dbraw/zinc/96/19/11/395961911.db2.gz FSRKDVRPVOACAC-KBPBESRZSA-N 1 0 321.425 0.503 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC000246941214 395962182 /nfs/dbraw/zinc/96/21/82/395962182.db2.gz WVBUTTAIEOPBRV-MCIONIFRSA-N 1 0 309.410 0.211 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NCc1ccco1 ZINC000247100332 395966584 /nfs/dbraw/zinc/96/65/84/395966584.db2.gz IJOYBSMFCKRICR-OLZOCXBDSA-N 1 0 320.393 0.774 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000247135930 395967839 /nfs/dbraw/zinc/96/78/39/395967839.db2.gz VWWDQOHBVWXFBK-JSGCOSHPSA-N 1 0 302.378 0.507 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000247239552 395969920 /nfs/dbraw/zinc/96/99/20/395969920.db2.gz MZPNCPKKVHGYLP-KBPBESRZSA-N 1 0 324.425 0.113 10 0 DCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247376256 395972762 /nfs/dbraw/zinc/97/27/62/395972762.db2.gz STEDORGQEXYIRA-UPJWGTAASA-N 1 0 317.455 0.244 10 0 DCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000247563472 395976425 /nfs/dbraw/zinc/97/64/25/395976425.db2.gz VDUGDZXEORCJSO-HZSPNIEDSA-N 1 0 306.410 0.845 10 0 DCAERO CNC(=O)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247559117 395976692 /nfs/dbraw/zinc/97/66/92/395976692.db2.gz UOEJBRLDUHVTSO-GXTWGEPZSA-N 1 0 319.409 0.337 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccccn3)CC[C@H]21 ZINC000247981329 395981278 /nfs/dbraw/zinc/98/12/78/395981278.db2.gz IJZCPBSTRISNRI-DZGCQCFKSA-N 1 0 316.405 0.754 10 0 DCAERO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000151324014 395983711 /nfs/dbraw/zinc/98/37/11/395983711.db2.gz ZYTGJJNQNFHVNE-RYUDHWBXSA-N 1 0 323.397 0.019 10 0 DCAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCOC2)[C@H]1c1ccccc1 ZINC000248139932 395983778 /nfs/dbraw/zinc/98/37/78/395983778.db2.gz YGCGVOBBOJBXHV-ZMSDIMECSA-N 1 0 319.405 0.882 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCCS1(=O)=O ZINC000151457419 395985914 /nfs/dbraw/zinc/98/59/14/395985914.db2.gz WTGIYUCHXDYHLK-NWDGAFQWSA-N 1 0 305.444 0.593 10 0 DCAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC(CO)C2)[C@@H](C)C1 ZINC000253282106 396025513 /nfs/dbraw/zinc/02/55/13/396025513.db2.gz ZCQLFXMFISWZAE-ZFWWWQNUSA-N 1 0 313.442 0.757 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1ncc2ccccc2c1=O ZINC000155060029 396045954 /nfs/dbraw/zinc/04/59/54/396045954.db2.gz CZEVMTDZNUUBDP-STQMWFEESA-N 1 0 314.389 0.948 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(-n2cnnn2)c1 ZINC000155337784 396049184 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[NH3+]C1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCOCC1 ZINC000261815014 396068890 /nfs/dbraw/zinc/06/88/90/396068890.db2.gz JYAZCALNSGDEAE-ZDUSSCGKSA-N 1 0 309.410 0.259 10 0 DCAERO CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249212570 396004769 /nfs/dbraw/zinc/00/47/69/396004769.db2.gz SRHSAFATBNIJSN-YPMHNXCESA-N 1 0 305.382 0.537 10 0 DCAERO CC[C@H](NS(N)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000152310118 396005711 /nfs/dbraw/zinc/00/57/11/396005711.db2.gz WGYKKOAYVBCOFQ-KBPBESRZSA-N 1 0 313.423 0.459 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H](CO)CC(C)C)C1 ZINC000249449055 396008383 /nfs/dbraw/zinc/00/83/83/396008383.db2.gz NYGQPNSZTPDAMG-CABCVRRESA-N 1 0 313.442 0.452 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CNC(=O)C1 ZINC000252444674 396020078 /nfs/dbraw/zinc/02/00/78/396020078.db2.gz ZQARRIDMQMARFW-UMVBOHGHSA-N 1 0 316.405 0.544 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067118752 396020613 /nfs/dbraw/zinc/02/06/13/396020613.db2.gz MRURWKZLZGICPU-RWMBFGLXSA-N 1 0 307.460 0.660 10 0 DCAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261978400 396086639 /nfs/dbraw/zinc/08/66/39/396086639.db2.gz RJKSVRRVFLJDFB-MJBXVCDLSA-N 1 0 316.467 0.558 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CCOCC1 ZINC000261991128 396087286 /nfs/dbraw/zinc/08/72/86/396087286.db2.gz MTLZTTBMDVNPPE-ZIAGYGMSSA-N 1 0 319.409 0.316 10 0 DCAERO CC[NH2+][C@H](C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000262447674 396141286 /nfs/dbraw/zinc/14/12/86/396141286.db2.gz JEUUVSIWRXEVKM-MRXNPFEDSA-N 1 0 318.465 0.918 10 0 DCAERO CCS(=O)(=O)N(C)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262061715 396094513 /nfs/dbraw/zinc/09/45/13/396094513.db2.gz REMHYTTYDRYRAU-CQSZACIVSA-N 1 0 303.472 0.732 10 0 DCAERO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000262114694 396100522 /nfs/dbraw/zinc/10/05/22/396100522.db2.gz LBYQPOGWHXNFQP-NEPJUHHUSA-N 1 0 317.455 0.286 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](Cn2cc(I)cn2)O1 ZINC000070678955 396103514 /nfs/dbraw/zinc/10/35/14/396103514.db2.gz XDMZBJZXSYQSQQ-BDAKNGLRSA-N 1 0 307.135 0.994 10 0 DCAERO Cc1ccc(N2C[C@H](C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CC2=O)cc1 ZINC000262152444 396104806 /nfs/dbraw/zinc/10/48/06/396104806.db2.gz HWJQDXCTMYBHET-NFAWXSAZSA-N 1 0 317.389 0.044 10 0 DCAERO COC(=O)C1(c2ccc(S(=O)(=O)NCCC[NH3+])cc2)CC1 ZINC000262159337 396105375 /nfs/dbraw/zinc/10/53/75/396105375.db2.gz UJRADOIKJJODGK-UHFFFAOYSA-N 1 0 312.391 0.518 10 0 DCAERO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000262452552 396142045 /nfs/dbraw/zinc/14/20/45/396142045.db2.gz GGTRTDCMUDRJJA-KBXIAJHMSA-N 1 0 309.410 0.271 10 0 DCAERO COC(C)(C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171599008 396119415 /nfs/dbraw/zinc/11/94/15/396119415.db2.gz VFVKDZMMRBRDEH-UHFFFAOYSA-N 1 0 306.410 0.875 10 0 DCAERO C[NH2+]CCC(=O)N1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000262357706 396129502 /nfs/dbraw/zinc/12/95/02/396129502.db2.gz JVUXDBHJPAQWGM-GFCCVEGCSA-N 1 0 309.414 0.835 10 0 DCAERO Cn1ccnc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262362880 396130278 /nfs/dbraw/zinc/13/02/78/396130278.db2.gz WPYLHVNHWSUTHA-ZIAGYGMSSA-N 1 0 305.426 0.500 10 0 DCAERO C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000262407585 396136465 /nfs/dbraw/zinc/13/64/65/396136465.db2.gz RXCZNEOEOFIACR-TUAOUCFPSA-N 1 0 302.440 0.799 10 0 DCAERO CC(C)C(=O)NCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262405817 396136558 /nfs/dbraw/zinc/13/65/58/396136558.db2.gz CSNKSOTZOKHGBZ-MQIPJXDCSA-N 1 0 311.426 0.407 10 0 DCAERO [NH3+][C@H](C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCOCC1 ZINC000261871379 396074376 /nfs/dbraw/zinc/07/43/76/396074376.db2.gz TUDKENKCTOHTPZ-CJNGLKHVSA-N 1 0 317.389 0.662 10 0 DCAERO [NH3+]C1(C(=O)NCc2nc(-c3ccccc3)no2)CCOCC1 ZINC000261892366 396076809 /nfs/dbraw/zinc/07/68/09/396076809.db2.gz QRDJKDAKQMRYSH-UHFFFAOYSA-N 1 0 302.334 0.861 10 0 DCAERO CC(=O)Nc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261944074 396082601 /nfs/dbraw/zinc/08/26/01/396082601.db2.gz LZQQVKAUXRJRLD-UHFFFAOYSA-N 1 0 304.394 0.509 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000261944562 396082850 /nfs/dbraw/zinc/08/28/50/396082850.db2.gz VKFGJIHGKSLWEN-XJIUQZFPSA-N 1 0 323.437 0.646 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000261950328 396083246 /nfs/dbraw/zinc/08/32/46/396083246.db2.gz LMRXJNGGZCSXCJ-ZFWWWQNUSA-N 1 0 305.378 0.157 10 0 DCAERO C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261965981 396085017 /nfs/dbraw/zinc/08/50/17/396085017.db2.gz HTGSNVPLAMXQMC-DOTOQJQBSA-N 1 0 308.470 0.615 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cn(-c3ccccc3)nn2)n1 ZINC000263184172 396205074 /nfs/dbraw/zinc/20/50/74/396205074.db2.gz HCNXHMREYRVKQA-ZDUSSCGKSA-N 1 0 311.349 0.893 10 0 DCAERO Cn1cc(CC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cn1 ZINC000176000814 396147820 /nfs/dbraw/zinc/14/78/20/396147820.db2.gz LOPZQHMHQOOYFF-MRXNPFEDSA-N 1 0 319.453 0.591 10 0 DCAERO Cc1nccn1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262507641 396148701 /nfs/dbraw/zinc/14/87/01/396148701.db2.gz MQGPASMDRBMECS-DVOMOZLQSA-N 1 0 306.410 0.840 10 0 DCAERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262518188 396150128 /nfs/dbraw/zinc/15/01/28/396150128.db2.gz NHQIEIDYDTVNBA-KBPBESRZSA-N 1 0 319.405 0.813 10 0 DCAERO COc1ccc(CCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1OC ZINC000262572189 396156670 /nfs/dbraw/zinc/15/66/70/396156670.db2.gz ZHJAJFKDBSZNPJ-OLZOCXBDSA-N 1 0 308.378 0.475 10 0 DCAERO Cn1nc(CC(=O)N[C@@H](C[NH3+])C2CC2)c2ccccc2c1=O ZINC000262585375 396158432 /nfs/dbraw/zinc/15/84/32/396158432.db2.gz OBKZSYCWYYPLIK-AWEZNQCLSA-N 1 0 300.362 0.330 10 0 DCAERO CSCC[C@H](NC(N)=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262598803 396159829 /nfs/dbraw/zinc/15/98/29/396159829.db2.gz WKZDXNJWCFXLHY-RYUDHWBXSA-N 1 0 310.423 0.593 10 0 DCAERO CCCNC(=O)CN1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262634580 396165316 /nfs/dbraw/zinc/16/53/16/396165316.db2.gz HRXJHQKIEOJCAP-OLZOCXBDSA-N 1 0 310.442 0.221 10 0 DCAERO CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000262653736 396168367 /nfs/dbraw/zinc/16/83/67/396168367.db2.gz YUFFYRIHBXPGPR-NSHDSACASA-N 1 0 300.362 0.296 10 0 DCAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC2(C1)OCCO2 ZINC000262707015 396174344 /nfs/dbraw/zinc/17/43/44/396174344.db2.gz DMYZCNSBYIVJHP-CYBMUJFWSA-N 1 0 320.393 0.787 10 0 DCAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000177487199 396177451 /nfs/dbraw/zinc/17/74/51/396177451.db2.gz JDEWBPVLGQWLSY-STQMWFEESA-N 1 0 304.394 0.800 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc12 ZINC000262754964 396179405 /nfs/dbraw/zinc/17/94/05/396179405.db2.gz HNOWBKIQLCAROA-NOZJJQNGSA-N 1 0 323.422 0.553 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCO1 ZINC000177675464 396181203 /nfs/dbraw/zinc/18/12/03/396181203.db2.gz LALASULOTVYBGZ-NSHDSACASA-N 1 0 309.341 0.553 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)oc1C ZINC000262778528 396181556 /nfs/dbraw/zinc/18/15/56/396181556.db2.gz OKCBLJNIEQGLLP-LDYMZIIASA-N 1 0 316.379 0.651 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCO1 ZINC000177770422 396182799 /nfs/dbraw/zinc/18/27/99/396182799.db2.gz ADENXOMGEDPYKY-AWEZNQCLSA-N 1 0 317.393 0.806 10 0 DCAERO C[C@H]1CN(Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)CCO1 ZINC000263310735 396213012 /nfs/dbraw/zinc/21/30/12/396213012.db2.gz PDTFFHJALVRCPA-ZDUSSCGKSA-N 1 0 303.406 0.743 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2cn3ccsc3n2)n1 ZINC000263297376 396212087 /nfs/dbraw/zinc/21/20/87/396212087.db2.gz WNLNOXRDDWTNKJ-JTQLQIEISA-N 1 0 304.379 0.946 10 0 DCAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000263290489 396212115 /nfs/dbraw/zinc/21/21/15/396212115.db2.gz LIBAVQJNOZICRN-MRVPVSSYSA-N 1 0 300.355 0.626 10 0 DCAERO CNC(=O)[C@@H](NC(=O)NCC[N@H+](C)CCCOC)C(C)C ZINC000178444208 396196786 /nfs/dbraw/zinc/19/67/86/396196786.db2.gz QTGIIHGYKLECRD-LBPRGKRZSA-N 1 0 302.419 0.025 10 0 DCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000178581306 396200319 /nfs/dbraw/zinc/20/03/19/396200319.db2.gz HOAMTHGEGFLRSD-JTQLQIEISA-N 1 0 324.410 0.308 10 0 DCAERO C[C@@H]1C[C@H](N(C)CC(=O)NCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000181946562 396243765 /nfs/dbraw/zinc/24/37/65/396243765.db2.gz VQPQXRXSRYEQSI-CHWSQXEVSA-N 1 0 313.442 0.859 10 0 DCAERO COCc1noc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000182236543 396248517 /nfs/dbraw/zinc/24/85/17/396248517.db2.gz IGQKSPZPVFUPPQ-GFCCVEGCSA-N 1 0 312.414 0.741 10 0 DCAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCn1ccnn1 ZINC000182471068 396250590 /nfs/dbraw/zinc/25/05/90/396250590.db2.gz RTOJRHXNTMHRIV-CQSZACIVSA-N 1 0 324.429 0.420 10 0 DCAERO CCC[C@H](C(=O)NCC1(C(=O)OC)CCOCC1)[NH+](C)C ZINC000183804822 396275382 /nfs/dbraw/zinc/27/53/82/396275382.db2.gz JLMUOKNODGDDOE-GFCCVEGCSA-N 1 0 300.399 0.803 10 0 DCAERO CCOc1ccc(C[C@H](CNC(=O)C2C[NH2+]C2)C(=O)OC)cc1 ZINC000263314645 396213395 /nfs/dbraw/zinc/21/33/95/396213395.db2.gz PZYWGZAILSCTOP-CYBMUJFWSA-N 1 0 320.389 0.753 10 0 DCAERO Cc1ccnc2nc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)nn21 ZINC000263315487 396213464 /nfs/dbraw/zinc/21/34/64/396213464.db2.gz ZJUWQUQIKJWDHE-VIFPVBQESA-N 1 0 300.326 0.059 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC000179412727 396226778 /nfs/dbraw/zinc/22/67/78/396226778.db2.gz NTASFFWXXYBOBE-CQSZACIVSA-N 1 0 313.442 0.596 10 0 DCAERO CC[C@@H]1CN(C(=O)NCC2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000185000105 396313389 /nfs/dbraw/zinc/31/33/89/396313389.db2.gz NAJULNQEFUDNJH-UKRRQHHQSA-N 1 0 313.442 0.900 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(Cc3nc(N(C)C)no3)CC2)CCO1 ZINC000185251844 396322943 /nfs/dbraw/zinc/32/29/43/396322943.db2.gz QMTVIKXEIIFWSD-LBPRGKRZSA-N 1 0 309.414 0.821 10 0 DCAERO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+]2CCC1CC2 ZINC000188603067 396383555 /nfs/dbraw/zinc/38/35/55/396383555.db2.gz IOBDCWIHHDZPIU-UHFFFAOYSA-N 1 0 313.357 0.589 10 0 DCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000188953180 396389049 /nfs/dbraw/zinc/38/90/49/396389049.db2.gz QGOFHRSIZSYKFY-GFCCVEGCSA-N 1 0 313.361 0.744 10 0 DCAERO CCCc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)n(C)n1 ZINC000189780064 396399484 /nfs/dbraw/zinc/39/94/84/396399484.db2.gz YCSAFHTVQVCMSV-UHFFFAOYSA-N 1 0 319.409 0.618 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCC[C@H]1CCO ZINC000190238295 396403510 /nfs/dbraw/zinc/40/35/10/396403510.db2.gz MGQKSZAGFKANQZ-GJZGRUSLSA-N 1 0 313.442 0.949 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cn(C)nc1C ZINC000190343455 396404775 /nfs/dbraw/zinc/40/47/75/396404775.db2.gz ZBHPCFAMALZGLX-CHWSQXEVSA-N 1 0 319.409 0.752 10 0 DCAERO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1(CO)CCOCC1 ZINC000191007457 396414019 /nfs/dbraw/zinc/41/40/19/396414019.db2.gz GYHFJASOAMLEAU-ZDUSSCGKSA-N 1 0 320.455 0.131 10 0 DCAERO COC(=O)[C@@H](C(OC)OC)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191446946 396419610 /nfs/dbraw/zinc/41/96/10/396419610.db2.gz GZTDYUQJKYFAIQ-AWEZNQCLSA-N 1 0 314.426 0.955 10 0 DCAERO CCN1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000191893600 396426590 /nfs/dbraw/zinc/42/65/90/396426590.db2.gz GWVASISDWRHDHZ-STQMWFEESA-N 1 0 312.414 0.317 10 0 DCAERO Cc1cc(N2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)n2ncnc2n1 ZINC000192107269 396429457 /nfs/dbraw/zinc/42/94/57/396429457.db2.gz DRULKCWWXFAPMZ-RYUDHWBXSA-N 1 0 317.397 0.065 10 0 DCAERO C[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000192491408 396431800 /nfs/dbraw/zinc/43/18/00/396431800.db2.gz UAAUTJHIGKWCBV-NFAWXSAZSA-N 1 0 306.410 0.972 10 0 DCAERO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC[C@@H](C)[NH3+] ZINC000193219675 396446504 /nfs/dbraw/zinc/44/65/04/396446504.db2.gz OSRKCTBKMPXBJW-SNVBAGLBSA-N 1 0 311.407 0.611 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccnn1C ZINC000193009843 396442577 /nfs/dbraw/zinc/44/25/77/396442577.db2.gz XMPBPEFXVXWTDP-VXGBXAGGSA-N 1 0 302.382 1.000 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000193409211 396450696 /nfs/dbraw/zinc/45/06/96/396450696.db2.gz LELOLZDVSQSZRR-NXEZZACHSA-N 1 0 316.379 0.733 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000193409850 396450893 /nfs/dbraw/zinc/45/08/93/396450893.db2.gz UACKXSVZRCFJHW-MFKMUULPSA-N 1 0 311.407 0.323 10 0 DCAERO COC(=O)c1cccc(OCC[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371828262 396477915 /nfs/dbraw/zinc/47/79/15/396477915.db2.gz GEBPKVGKRFKYLC-HNNXBMFYSA-N 1 0 320.389 0.868 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000527502402 396536258 /nfs/dbraw/zinc/53/62/58/396536258.db2.gz QGWMNXGOORNPCJ-KBPBESRZSA-N 1 0 300.447 0.737 10 0 DCAERO CC[C@@H](C)[C@H]1CN(C[C@H](O)COC)CC[N@@H+]1C[C@H](O)COC ZINC000562112357 396651460 /nfs/dbraw/zinc/65/14/60/396651460.db2.gz OVGJZFJIHLHXBD-FXUDXRNXSA-N 1 0 318.458 0.033 10 0 DCAERO Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000581934403 396594492 /nfs/dbraw/zinc/59/44/92/396594492.db2.gz MTULUPXXCYYJSI-WDEREUQCSA-N 1 0 302.421 0.726 10 0 DCAERO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000374415293 396662547 /nfs/dbraw/zinc/66/25/47/396662547.db2.gz MAHIQBDKXMIAFI-LALPHHSUSA-N 1 0 313.398 0.158 10 0 DCAERO C[C@H](CC[NH+](C)C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000587118390 396670885 /nfs/dbraw/zinc/67/08/85/396670885.db2.gz PKGYBHNPFDWZJH-GFCCVEGCSA-N 1 0 320.459 0.051 10 0 DCAERO Cc1n[nH]cc1C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000375382670 396736391 /nfs/dbraw/zinc/73/63/91/396736391.db2.gz XCTYVAHTEFDLTF-AWEZNQCLSA-N 1 0 306.410 0.881 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590344197 396760855 /nfs/dbraw/zinc/76/08/55/396760855.db2.gz YKHGUPKDPSELFX-GFCCVEGCSA-N 1 0 305.386 0.851 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(Cl)cc1 ZINC000311990738 396761331 /nfs/dbraw/zinc/76/13/31/396761331.db2.gz OJMYSRXBLYFIPY-GFCCVEGCSA-N 1 0 304.799 0.748 10 0 DCAERO C[C@H](Cc1ccsc1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000311988633 396762295 /nfs/dbraw/zinc/76/22/95/396762295.db2.gz NZKKAKZXJBDWDQ-ZYHUDNBSSA-N 1 0 304.437 0.587 10 0 DCAERO CN1CCN(c2ccc(S(C)(=O)=O)cc2F)[C@H](C[NH3+])C1 ZINC000313380054 396769210 /nfs/dbraw/zinc/76/92/10/396769210.db2.gz RBDUPXKNIFBEMT-SNVBAGLBSA-N 1 0 301.387 0.308 10 0 DCAERO CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375558526 396772141 /nfs/dbraw/zinc/77/21/41/396772141.db2.gz RSINSDBDGXRGNO-IHRRRGAJSA-N 1 0 312.458 0.878 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2(C3CC3)CCOCC2)C1 ZINC000375700358 396801255 /nfs/dbraw/zinc/80/12/55/396801255.db2.gz DZEHNGPNEUPCIY-OAHLLOKOSA-N 1 0 323.437 0.662 10 0 DCAERO CN1CCOC[C@H]1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000629600386 396804360 /nfs/dbraw/zinc/80/43/60/396804360.db2.gz WCIWPFZPHTYAEL-OLZOCXBDSA-N 1 0 300.424 0.546 10 0 DCAERO CN(C)c1ncc(C[NH2+]CCCN2CCCS2(=O)=O)cn1 ZINC000596676518 396815739 /nfs/dbraw/zinc/81/57/39/396815739.db2.gz YBBGZVVRKKSKPL-UHFFFAOYSA-N 1 0 313.427 0.058 10 0 DCAERO CN1CCO[C@H](C[N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000591910956 397033277 /nfs/dbraw/zinc/03/32/77/397033277.db2.gz LGQDZUQXUAIDSD-IRXDYDNUSA-N 1 0 308.422 0.827 10 0 DCAERO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000591911562 397033478 /nfs/dbraw/zinc/03/34/78/397033478.db2.gz XKOCGZDMOSUKNI-UONOGXRCSA-N 1 0 320.389 0.935 10 0 DCAERO CC(=O)CSCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000597696708 397067353 /nfs/dbraw/zinc/06/73/53/397067353.db2.gz XJPXZKXHRJOLFD-STQMWFEESA-N 1 0 300.424 0.630 10 0 DCAERO C[C@H]1CN(c2cnn(C)c(=O)c2Br)C[C@@H]1C[NH3+] ZINC000630553148 397044494 /nfs/dbraw/zinc/04/44/94/397044494.db2.gz IKBKIUGERGRMFS-YUMQZZPRSA-N 1 0 301.188 0.574 10 0 DCAERO c1c(C[NH2+]CCCN2CCOCC2)nnn1C[C@@H]1CCOC1 ZINC000631029759 397158165 /nfs/dbraw/zinc/15/81/65/397158165.db2.gz FASKNCLPIUXUFR-AWEZNQCLSA-N 1 0 309.414 0.127 10 0 DCAERO c1c(C[NH2+]CC2(N3CCOCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631122461 397173274 /nfs/dbraw/zinc/17/32/74/397173274.db2.gz PSKIAYCGXNZSCR-AWEZNQCLSA-N 1 0 321.425 0.269 10 0 DCAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000365779949 397316252 /nfs/dbraw/zinc/31/62/52/397316252.db2.gz CILXAIDKCXPORS-GJZGRUSLSA-N 1 0 324.469 0.833 10 0 DCAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000386292130 397288334 /nfs/dbraw/zinc/28/83/34/397288334.db2.gz PUAZOGQOQPIGIL-NWDGAFQWSA-N 1 0 314.407 0.416 10 0 DCAERO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1S(N)(=O)=O ZINC000408375312 397354935 /nfs/dbraw/zinc/35/49/35/397354935.db2.gz SBUQPIRRHZUZDI-TXEJJXNPSA-N 1 0 323.418 0.276 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404140062 397327266 /nfs/dbraw/zinc/32/72/66/397327266.db2.gz YRHMBNZZZVMCHR-GJZGRUSLSA-N 1 0 315.373 0.345 10 0 DCAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459703226 397433811 /nfs/dbraw/zinc/43/38/11/397433811.db2.gz RZNURSDOUSSJDQ-OCCSQVGLSA-N 1 0 318.377 0.979 10 0 DCAERO COC(=O)C(C)(C)CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602460812 397408042 /nfs/dbraw/zinc/40/80/42/397408042.db2.gz XZRLZORLNGINAA-CQSZACIVSA-N 1 0 321.421 0.761 10 0 DCAERO C[C@@H]1C[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641422 397645437 /nfs/dbraw/zinc/64/54/37/397645437.db2.gz VLSXWTGIAODBTR-ILXRZTDVSA-N 1 0 310.442 0.348 10 0 DCAERO C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641423 397645540 /nfs/dbraw/zinc/64/55/40/397645540.db2.gz VLSXWTGIAODBTR-KFWWJZLASA-N 1 0 310.442 0.348 10 0 DCAERO COCCOC1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000604903124 397656626 /nfs/dbraw/zinc/65/66/26/397656626.db2.gz NPAZKNOQJNICSM-HOCLYGCPSA-N 1 0 317.426 0.670 10 0 DCAERO COCCOC1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000604903125 397656651 /nfs/dbraw/zinc/65/66/51/397656651.db2.gz NPAZKNOQJNICSM-ZBFHGGJFSA-N 1 0 317.426 0.670 10 0 DCAERO CN(C(=O)Nc1ccc2nccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000606580691 397683858 /nfs/dbraw/zinc/68/38/58/397683858.db2.gz ANXHEGQLCMTPGP-LLVKDONJSA-N 1 0 308.363 0.985 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H](C)CO)CC1 ZINC000610369910 397817049 /nfs/dbraw/zinc/81/70/49/397817049.db2.gz XEOICKLUJITROI-LBPRGKRZSA-N 1 0 300.399 0.348 10 0 DCAERO CS[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478177 397825290 /nfs/dbraw/zinc/82/52/90/397825290.db2.gz PDINYGZLMOGUOZ-PWSUYJOCSA-N 1 0 315.443 0.679 10 0 DCAERO C[NH+](C)C[C@@H](NC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000047618242 158004019 /nfs/dbraw/zinc/00/40/19/158004019.db2.gz OCUANEIXXBAITJ-MRXNPFEDSA-N 1 0 320.437 0.921 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000075873513 158063681 /nfs/dbraw/zinc/06/36/81/158063681.db2.gz UZFVVRRMGWBYRW-KBPBESRZSA-N 1 0 321.421 0.714 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)CO)CC1 ZINC000077807894 158070231 /nfs/dbraw/zinc/07/02/31/158070231.db2.gz DMMVQWCKTFRDTI-QWHCGFSZSA-N 1 0 301.431 0.803 10 0 DCAERO O=C(CCOC[C@@H]1CCCO1)NCCCC[NH+]1CCOCC1 ZINC000077728384 158070617 /nfs/dbraw/zinc/07/06/17/158070617.db2.gz KNRWPCQYWZCZNR-HNNXBMFYSA-N 1 0 314.426 0.801 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000078929956 158076338 /nfs/dbraw/zinc/07/63/38/158076338.db2.gz FOQHKIZFCVMSEI-UHFFFAOYSA-N 1 0 318.377 0.621 10 0 DCAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000081335105 158084612 /nfs/dbraw/zinc/08/46/12/158084612.db2.gz QCABZUZYOICCTL-LBPRGKRZSA-N 1 0 324.425 0.507 10 0 DCAERO CCOCCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091845340 158110698 /nfs/dbraw/zinc/11/06/98/158110698.db2.gz MREUSOIAFXIJBJ-OAHLLOKOSA-N 1 0 312.458 0.834 10 0 DCAERO CCOC(=O)C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701129 158120575 /nfs/dbraw/zinc/12/05/75/158120575.db2.gz VACVZYNHBVRSGK-ZDUSSCGKSA-N 1 0 320.455 0.932 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000105807658 158130388 /nfs/dbraw/zinc/13/03/88/158130388.db2.gz BVAWFWBSSVCROZ-AWEZNQCLSA-N 1 0 314.393 0.941 10 0 DCAERO C[C@@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@@H]1C ZINC000109320111 158136665 /nfs/dbraw/zinc/13/66/65/158136665.db2.gz JHZMVIXDMBBPOU-VHSXEESVSA-N 1 0 312.801 0.725 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000111222163 158140716 /nfs/dbraw/zinc/14/07/16/158140716.db2.gz DJSTZNKFYMDSGC-UHFFFAOYSA-N 1 0 311.426 0.568 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000114959313 158160003 /nfs/dbraw/zinc/16/00/03/158160003.db2.gz NRVMZQKGLOCYRO-ZDUSSCGKSA-N 1 0 320.441 0.796 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CC)C1)CC2 ZINC000114940332 158160312 /nfs/dbraw/zinc/16/03/12/158160312.db2.gz KQOXPXFAOTXTEV-QWHCGFSZSA-N 1 0 320.441 0.939 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)CCn2cncn2)C[C@H]1CC ZINC000116770103 158166826 /nfs/dbraw/zinc/16/68/26/158166826.db2.gz GCFHHGYWWZJWMT-CQSZACIVSA-N 1 0 309.414 0.628 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)N2CCCCCC2)CCO1 ZINC000116900410 158168788 /nfs/dbraw/zinc/16/87/88/158168788.db2.gz CIWLIPAJHWTRRF-ZDUSSCGKSA-N 1 0 305.444 0.370 10 0 DCAERO O=C1NCCCC[C@@H]1[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000120325467 158197097 /nfs/dbraw/zinc/19/70/97/158197097.db2.gz FRGQCSDBBGHLPY-HNNXBMFYSA-N 1 0 306.410 0.724 10 0 DCAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN2CCOCC2)C12CCC2 ZINC000121008392 158207080 /nfs/dbraw/zinc/20/70/80/158207080.db2.gz DWNRHWVNXWNLGS-HRCADAONSA-N 1 0 312.454 0.959 10 0 DCAERO CC(=O)NCCc1ccc(S(=O)(=O)NCCC[NH3+])s1 ZINC000122690956 158222665 /nfs/dbraw/zinc/22/26/65/158222665.db2.gz GHAHJMLAECIMNL-UHFFFAOYSA-N 1 0 305.425 0.054 10 0 DCAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000124130248 158238044 /nfs/dbraw/zinc/23/80/44/158238044.db2.gz OENSJHONWXJNCT-QWHCGFSZSA-N 1 0 311.451 0.946 10 0 DCAERO COc1ccc(CC2CCN(C(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC000124758215 158246091 /nfs/dbraw/zinc/24/60/91/158246091.db2.gz ANVOTQCQXTUXCO-UHFFFAOYSA-N 1 0 319.405 0.551 10 0 DCAERO COC(=O)C1(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000125502712 158256149 /nfs/dbraw/zinc/25/61/49/158256149.db2.gz WYACBQSWQMMWRT-GFCCVEGCSA-N 1 0 310.394 0.651 10 0 DCAERO CC(C)(C)C(=O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000129560163 158290228 /nfs/dbraw/zinc/29/02/28/158290228.db2.gz QRENRIUQOFXEQJ-FOSCPWQOSA-N 1 0 319.409 0.906 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CC)C2)cn1 ZINC000130417964 158295098 /nfs/dbraw/zinc/29/50/98/158295098.db2.gz DDMFOWKDXOZZKL-NSHDSACASA-N 1 0 305.382 0.578 10 0 DCAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000135559348 158337483 /nfs/dbraw/zinc/33/74/83/158337483.db2.gz YGDWADPVOUPMKX-GXTWGEPZSA-N 1 0 306.410 0.713 10 0 DCAERO CN1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979414 158347293 /nfs/dbraw/zinc/34/72/93/158347293.db2.gz IENSSNYEXPSYTA-INIZCTEOSA-N 1 0 324.469 0.977 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000138979317 158347816 /nfs/dbraw/zinc/34/78/16/158347816.db2.gz IENSSNYEXPSYTA-MRXNPFEDSA-N 1 0 324.469 0.977 10 0 DCAERO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)n1 ZINC000168282450 158372611 /nfs/dbraw/zinc/37/26/11/158372611.db2.gz VDGRDBFALQEJRO-ZFWWWQNUSA-N 1 0 310.373 0.429 10 0 DCAERO C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)CNC(=O)C3)cc2)CC1 ZINC000170247486 158374942 /nfs/dbraw/zinc/37/49/42/158374942.db2.gz NDHXTGMKJBXRHT-QGZVFWFLSA-N 1 0 316.405 0.903 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170862820 158377045 /nfs/dbraw/zinc/37/70/45/158377045.db2.gz NPOLTLSMCXRPEH-LBPRGKRZSA-N 1 0 311.407 0.371 10 0 DCAERO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171247313 158381287 /nfs/dbraw/zinc/38/12/87/158381287.db2.gz HMXOAWFIQJZHNA-UHFFFAOYSA-N 1 0 306.414 0.648 10 0 DCAERO CCOCCN1CC[N@H+](CCCC(=O)NC(N)=O)C[C@@H]1C ZINC000171571994 158384506 /nfs/dbraw/zinc/38/45/06/158384506.db2.gz XFXXIFRSCSUHEN-LBPRGKRZSA-N 1 0 300.403 0.004 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000171865733 158387186 /nfs/dbraw/zinc/38/71/86/158387186.db2.gz YOIXIWFLRPJZRH-CYBMUJFWSA-N 1 0 306.414 0.765 10 0 DCAERO 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415777957 /nfs/dbraw/zinc/77/79/57/415777957.db2.gz XCHXAZZNZYEZPU-LLVKDONJSA-N 1 0 310.398 0.165 10 0 DCAERO COc1ccsc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000120841822 415786082 /nfs/dbraw/zinc/78/60/82/415786082.db2.gz SYGQBLHXUGOJAQ-SNVBAGLBSA-N 1 0 320.436 0.708 10 0 DCAERO CCCN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000334119630 415809591 /nfs/dbraw/zinc/80/95/91/415809591.db2.gz KEWXECFFYJELLZ-QLFBSQMISA-N 1 0 323.437 0.567 10 0 DCAERO CC[C@@H](CCO)CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000127137429 415883558 /nfs/dbraw/zinc/88/35/58/415883558.db2.gz XVTGZDYKLMKRJE-UONOGXRCSA-N 1 0 301.431 0.805 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000127690009 415889463 /nfs/dbraw/zinc/88/94/63/415889463.db2.gz KDODJEJYISVXQP-LBPRGKRZSA-N 1 0 314.430 0.169 10 0 DCAERO COC(=O)CNC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127939110 415891827 /nfs/dbraw/zinc/89/18/27/415891827.db2.gz MDJSRTBHTCJXCV-QWHCGFSZSA-N 1 0 308.382 0.636 10 0 DCAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000129834978 415913606 /nfs/dbraw/zinc/91/36/06/415913606.db2.gz NSHPAPQZJOXUOK-OAHLLOKOSA-N 1 0 320.437 0.685 10 0 DCAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000134052783 415954512 /nfs/dbraw/zinc/95/45/12/415954512.db2.gz CDPSNOOOCGVNFQ-DZGCQCFKSA-N 1 0 313.419 0.902 10 0 DCAERO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134784253 415957337 /nfs/dbraw/zinc/95/73/37/415957337.db2.gz LDZDZSBZAWFXND-STQMWFEESA-N 1 0 309.341 0.909 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)Nc2ccn(Cc3ccncc3)n2)N(C)C1 ZINC000344617823 415960819 /nfs/dbraw/zinc/96/08/19/415960819.db2.gz FSNASWGBHYKWJR-KBPBESRZSA-N 1 0 315.377 0.984 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC[NH2+]1 ZINC000155095043 415993657 /nfs/dbraw/zinc/99/36/57/415993657.db2.gz YYNCLTYVGVHDSY-UKRRQHHQSA-N 1 0 316.405 0.897 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)C(C)C ZINC000171898242 416042714 /nfs/dbraw/zinc/04/27/14/416042714.db2.gz IBMGXEIGHJPENE-CYBMUJFWSA-N 1 0 314.430 0.169 10 0 DCAERO Cc1cnn(CCNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000172269109 416045448 /nfs/dbraw/zinc/04/54/48/416045448.db2.gz GUMJOFBCKQBMEY-OAHLLOKOSA-N 1 0 323.441 0.848 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC1CCOCC1 ZINC000173149935 416054625 /nfs/dbraw/zinc/05/46/25/416054625.db2.gz ZGLWLMUYLWCWPN-TZMCWYRMSA-N 1 0 302.440 0.911 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC1CCC2(CC1)OCCO2 ZINC000173702802 416064726 /nfs/dbraw/zinc/06/47/26/416064726.db2.gz PSZZBNPHBROHNO-OAHLLOKOSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893662 416068522 /nfs/dbraw/zinc/06/85/22/416068522.db2.gz FHBJUUCBZLOZPA-HOTGVXAUSA-N 1 0 324.469 0.834 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)CC1=O ZINC000158917361 416004465 /nfs/dbraw/zinc/00/44/65/416004465.db2.gz BOJNHRDABAWMJV-KBUPBQIOSA-N 1 0 323.437 0.613 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)n1C ZINC000162061459 416015498 /nfs/dbraw/zinc/01/54/98/416015498.db2.gz JTKPYBDCZMIOJL-CYBMUJFWSA-N 1 0 310.446 0.387 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000164980736 416019514 /nfs/dbraw/zinc/01/95/14/416019514.db2.gz YNRBYNPNUJNLRA-CQSZACIVSA-N 1 0 304.394 0.754 10 0 DCAERO CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170844211 416033188 /nfs/dbraw/zinc/03/31/88/416033188.db2.gz VDMSKVGCVRAXGL-GFCCVEGCSA-N 1 0 320.393 0.970 10 0 DCAERO CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170844208 416034461 /nfs/dbraw/zinc/03/44/61/416034461.db2.gz VDMSKVGCVRAXGL-LBPRGKRZSA-N 1 0 320.393 0.970 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000174749687 416085722 /nfs/dbraw/zinc/08/57/22/416085722.db2.gz ZOGYMGBXCVNDRM-RBSFLKMASA-N 1 0 310.442 0.585 10 0 DCAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338378798 416087857 /nfs/dbraw/zinc/08/78/57/416087857.db2.gz UGIHIPXPSVYHFO-IHRRRGAJSA-N 1 0 304.456 0.893 10 0 DCAERO O[C@H](CNc1ccc2nnc(C3CC3)n2n1)CN1CCOCC1 ZINC000301744725 416089664 /nfs/dbraw/zinc/08/96/64/416089664.db2.gz WQPHBIVSKZOKTN-GFCCVEGCSA-N 1 0 318.381 0.107 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC000174993238 416092520 /nfs/dbraw/zinc/09/25/20/416092520.db2.gz HPFZNFXSNVOWEI-QWHCGFSZSA-N 1 0 307.394 0.611 10 0 DCAERO CN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312585494 416106122 /nfs/dbraw/zinc/10/61/22/416106122.db2.gz OUPYLPNNSGDJNN-ZDUSSCGKSA-N 1 0 302.371 0.576 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC000175875516 416116188 /nfs/dbraw/zinc/11/61/88/416116188.db2.gz KKMWAADOQZTMHQ-AWEZNQCLSA-N 1 0 320.441 0.366 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000176897245 416135703 /nfs/dbraw/zinc/13/57/03/416135703.db2.gz BNXLXGCCLDCSIE-LBPRGKRZSA-N 1 0 307.398 0.610 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccco2)N(C)C1 ZINC000345741488 416142077 /nfs/dbraw/zinc/14/20/77/416142077.db2.gz QEMSUOPIZCNBLG-GJZGRUSLSA-N 1 0 309.410 0.889 10 0 DCAERO O=C(CCCNC(=O)c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178549842 416166476 /nfs/dbraw/zinc/16/64/76/416166476.db2.gz BQMCQNHQEKLASL-HNNXBMFYSA-N 1 0 316.405 0.898 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179142557 416183540 /nfs/dbraw/zinc/18/35/40/416183540.db2.gz MMTOPZVPIWZVJZ-CYBMUJFWSA-N 1 0 319.409 0.611 10 0 DCAERO CO[C@H](C)[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358121090 416196363 /nfs/dbraw/zinc/19/63/63/416196363.db2.gz KYGAGXWLVBPGMG-CHWSQXEVSA-N 1 0 300.447 0.735 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](CO)c2cnn(C)c2)CC1 ZINC000358195250 416208976 /nfs/dbraw/zinc/20/89/76/416208976.db2.gz LHKZDHQNKPYENO-AWEZNQCLSA-N 1 0 307.398 0.405 10 0 DCAERO COCc1noc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000182253325 416216700 /nfs/dbraw/zinc/21/67/00/416216700.db2.gz ZHVPXGGGTQPSOL-AWEZNQCLSA-N 1 0 323.441 0.818 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183563703 416245709 /nfs/dbraw/zinc/24/57/09/416245709.db2.gz MNHAPMMIGMAOKQ-CYBMUJFWSA-N 1 0 306.410 0.676 10 0 DCAERO CCN1CC[NH+](C[C@H](C)CNc2cncc(OCCO)n2)CC1 ZINC000189443218 416266756 /nfs/dbraw/zinc/26/67/56/416266756.db2.gz YOBUPTPPXHKDAI-CQSZACIVSA-N 1 0 323.441 0.533 10 0 DCAERO Cc1cccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1C ZINC000190040015 416274527 /nfs/dbraw/zinc/27/45/27/416274527.db2.gz YYBDKOYGWUJQOE-ZDUSSCGKSA-N 1 0 319.405 0.767 10 0 DCAERO CC1(C)CN(CC(=O)N2CCNC(=O)C2)CC[C@H]1C(F)(F)F ZINC000190169668 416275844 /nfs/dbraw/zinc/27/58/44/416275844.db2.gz YJMWAXIZCZCXHW-SNVBAGLBSA-N 1 0 321.343 0.855 10 0 DCAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000183131548 416235971 /nfs/dbraw/zinc/23/59/71/416235971.db2.gz AKBROCYQQOLZMI-MNXVOIDGSA-N 1 0 300.399 0.847 10 0 DCAERO CC(C)C[NH+]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000193309723 416314494 /nfs/dbraw/zinc/31/44/94/416314494.db2.gz LIUFIEBJEOIHKM-AWEZNQCLSA-N 1 0 324.469 0.386 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246968959 416332429 /nfs/dbraw/zinc/33/24/29/416332429.db2.gz JHRIHXNZHBEOSD-GOEBONIOSA-N 1 0 313.442 0.901 10 0 DCAERO CC[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000247212741 416332474 /nfs/dbraw/zinc/33/24/74/416332474.db2.gz PUXHBLDPCQCCAH-ZNMIVQPWSA-N 1 0 313.442 0.059 10 0 DCAERO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248370711 416333271 /nfs/dbraw/zinc/33/32/71/416333271.db2.gz XVRSVDNCUCNZTD-NEPJUHHUSA-N 1 0 303.366 0.069 10 0 DCAERO COc1ccccc1[C@H]1CNCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000261626749 416335582 /nfs/dbraw/zinc/33/55/82/416335582.db2.gz ARWXMQALPFVZSR-UKRRQHHQSA-N 1 0 319.405 0.547 10 0 DCAERO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@@H]1[NH3+] ZINC000261953164 416335992 /nfs/dbraw/zinc/33/59/92/416335992.db2.gz KHHGUZICIQDQKJ-PWSUYJOCSA-N 1 0 305.382 0.348 10 0 DCAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000263239819 416337514 /nfs/dbraw/zinc/33/75/14/416337514.db2.gz OKFUNUIHODSPGH-MDZLAQPJSA-N 1 0 303.428 0.044 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000359584308 416351810 /nfs/dbraw/zinc/35/18/10/416351810.db2.gz ACZAMOWXHHSVDF-CQSZACIVSA-N 1 0 311.426 0.328 10 0 DCAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000229327370 416328096 /nfs/dbraw/zinc/32/80/96/416328096.db2.gz OJYHIVCBPALZGG-LBPRGKRZSA-N 1 0 302.371 0.791 10 0 DCAERO CN(C[C@H]1CC=CCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360280635 416384345 /nfs/dbraw/zinc/38/43/45/416384345.db2.gz XZFDLBGRZPQWJC-AWEZNQCLSA-N 1 0 311.426 0.496 10 0 DCAERO O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc2c(c1)OCCCO2 ZINC000360490047 416392773 /nfs/dbraw/zinc/39/27/73/416392773.db2.gz ILXQPYNNAMVQHY-OLZOCXBDSA-N 1 0 322.361 0.214 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ccc(I)cn1 ZINC000420244606 416418031 /nfs/dbraw/zinc/41/80/31/416418031.db2.gz QJZCMWUKKFYALD-APPZFPTMSA-N 1 0 319.146 0.678 10 0 DCAERO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360700653 416405010 /nfs/dbraw/zinc/40/50/10/416405010.db2.gz MQJNQUIZUATYJF-HNNXBMFYSA-N 1 0 303.366 0.429 10 0 DCAERO CCc1nnc(CNC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000360784628 416410594 /nfs/dbraw/zinc/41/05/94/416410594.db2.gz YUEBLRKBFUGPQX-UHFFFAOYSA-N 1 0 306.395 0.829 10 0 DCAERO C[NH+](C)CC1(CNC(=O)NC[C@H](O)Cn2ccnn2)CCCC1 ZINC000458665530 416487190 /nfs/dbraw/zinc/48/71/90/416487190.db2.gz QLZJTVPSDBWQJQ-ZDUSSCGKSA-N 1 0 324.429 0.060 10 0 DCAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458777171 416498744 /nfs/dbraw/zinc/49/87/44/416498744.db2.gz BJQZBNZDAAAXDL-CHWSQXEVSA-N 1 0 312.418 0.059 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000361830699 416505620 /nfs/dbraw/zinc/50/56/20/416505620.db2.gz SGWOWZBDDATORL-UHFFFAOYSA-N 1 0 321.425 0.940 10 0 DCAERO Cc1cc(C(=O)N2CC([NH+](C)C)C2)nn1-c1nc(C)cc(C)n1 ZINC000535019050 416514416 /nfs/dbraw/zinc/51/44/16/416514416.db2.gz JSDIRFLKLAGBJV-UHFFFAOYSA-N 1 0 314.393 0.974 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)CCCO)C1 ZINC000440942939 416653880 /nfs/dbraw/zinc/65/38/80/416653880.db2.gz GWURNZUOANQMIR-CHWSQXEVSA-N 1 0 300.399 0.491 10 0 DCAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC12CCC2 ZINC000441526784 416675246 /nfs/dbraw/zinc/67/52/46/416675246.db2.gz UIKZDQLFJBRQON-UHFFFAOYSA-N 1 0 311.345 1.361 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)OC(C)(C)C ZINC000557757126 416749334 /nfs/dbraw/zinc/74/93/34/416749334.db2.gz UUAPSMRLSAHHES-UHFFFAOYSA-N 1 0 315.414 0.245 10 0 DCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@H]1c1cccnc1 ZINC000623140591 416756406 /nfs/dbraw/zinc/75/64/06/416756406.db2.gz KFHCHJVOSVMZAX-BMFZPTHFSA-N 1 0 319.405 0.996 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000444699813 416861320 /nfs/dbraw/zinc/86/13/20/416861320.db2.gz FCKWJKRXIMPDKH-GFCCVEGCSA-N 1 0 321.343 0.951 10 0 DCAERO c1ncc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623652726 416865417 /nfs/dbraw/zinc/86/54/17/416865417.db2.gz NYINXOAHJDPERN-SNVBAGLBSA-N 1 0 301.379 0.949 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H](C2CCC2)C1 ZINC000631952811 416830521 /nfs/dbraw/zinc/83/05/21/416830521.db2.gz UBKWDTBLFQWGDW-UONOGXRCSA-N 1 0 302.440 0.817 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1cccc2nsnc21 ZINC000624394386 417027793 /nfs/dbraw/zinc/02/77/93/417027793.db2.gz CMVGHGSZHTVKMN-UHFFFAOYSA-N 1 0 316.408 0.206 10 0 DCAERO COc1ccc(C)cc1S(=O)(=O)NCCOCCC[NH3+] ZINC000624408271 417032987 /nfs/dbraw/zinc/03/29/87/417032987.db2.gz LXADZPQVCVOOBX-UHFFFAOYSA-N 1 0 302.396 0.647 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624411972 417033783 /nfs/dbraw/zinc/03/37/83/417033783.db2.gz BWCNXPBYEWPLHD-TXEJJXNPSA-N 1 0 318.830 0.694 10 0 DCAERO CN(CCc1cccs1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388542544 417098159 /nfs/dbraw/zinc/09/81/59/417098159.db2.gz RRIDRSDWADHOND-LLVKDONJSA-N 1 0 304.437 0.541 10 0 DCAERO NC(=O)C1CCN(C(=O)c2cc([C@@H]3CCC[NH2+]C3)no2)CC1 ZINC000616576523 417080715 /nfs/dbraw/zinc/08/07/15/417080715.db2.gz VOFAJEVUHRSQPI-LLVKDONJSA-N 1 0 306.366 0.479 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(F)c1 ZINC000381441154 417087144 /nfs/dbraw/zinc/08/71/44/417087144.db2.gz FHJDLBHZSGKTMV-SFYZADRCSA-N 1 0 303.359 0.798 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000624713025 417089929 /nfs/dbraw/zinc/08/99/29/417089929.db2.gz JBFVGQBYUAVDCR-HNNXBMFYSA-N 1 0 302.378 0.741 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246805479 287350518 /nfs/dbraw/zinc/35/05/18/287350518.db2.gz BIELXPUDAVKABF-HZPDHXFCSA-N 1 0 324.469 0.834 10 0 DCAERO CCO[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000405601296 417125321 /nfs/dbraw/zinc/12/53/21/417125321.db2.gz POZGFIXYGIAQJQ-IUODEOHRSA-N 1 0 317.389 0.578 10 0 DCAERO CC(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000408357246 417157078 /nfs/dbraw/zinc/15/70/78/417157078.db2.gz JVZAWDGAYHVTMS-JSGCOSHPSA-N 1 0 319.409 0.561 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000621832033 417310804 /nfs/dbraw/zinc/31/08/04/417310804.db2.gz BQVFWYKPFDPKKI-JTQLQIEISA-N 1 0 306.366 0.461 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c1 ZINC000621832907 417312383 /nfs/dbraw/zinc/31/23/83/417312383.db2.gz SSRPMFGEKWJFJN-JTQLQIEISA-N 1 0 306.366 0.461 10 0 DCAERO O=S(=O)(Cc1ccon1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643771189 417343671 /nfs/dbraw/zinc/34/36/71/417343671.db2.gz KYMQPKUIMJJKTG-XQQFMLRXSA-N 1 0 315.395 0.082 10 0 DCAERO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cccnc1 ZINC000570387840 417343930 /nfs/dbraw/zinc/34/39/30/417343930.db2.gz LMJPFIZQJDFIKR-HNNXBMFYSA-N 1 0 317.349 0.084 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000570632579 417373718 /nfs/dbraw/zinc/37/37/18/417373718.db2.gz SNGADXJWAFPFMS-SECBINFHSA-N 1 0 305.425 0.270 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000638420107 417451219 /nfs/dbraw/zinc/45/12/19/417451219.db2.gz KZPLLYWRTXVHQS-JGGQBBKZSA-N 1 0 319.405 0.514 10 0 DCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2c(Br)cnn2C)C1 ZINC000638875165 417574028 /nfs/dbraw/zinc/57/40/28/417574028.db2.gz GUHYWTWWUYQMMM-VXNVDRBHSA-N 1 0 317.187 0.176 10 0 DCAERO CN(Cc1nnnn1C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000531805011 417639882 /nfs/dbraw/zinc/63/98/82/417639882.db2.gz HMEYYRJBNTYTPT-UHFFFAOYSA-N 1 0 321.429 0.759 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000531886831 417646097 /nfs/dbraw/zinc/64/60/97/417646097.db2.gz YCDRRSJHQDXTFW-XCLFUZPHSA-N 1 0 301.456 0.929 10 0 DCAERO CC(C)[NH+]1CCC(O)(CNC(=O)c2cn3cccnc3n2)CC1 ZINC000532375588 417676101 /nfs/dbraw/zinc/67/61/01/417676101.db2.gz YSRVJKAASPLVNN-UHFFFAOYSA-N 1 0 317.393 0.694 10 0 DCAERO C[C@@H](O)C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000653895543 418117218 /nfs/dbraw/zinc/11/72/18/418117218.db2.gz AYLQWKVYDQBJST-YPMHNXCESA-N 1 0 318.373 0.489 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cnn3ccccc23)CCO1 ZINC000648787077 418156605 /nfs/dbraw/zinc/15/66/05/418156605.db2.gz BQCCCHKIRJKQAM-AWEZNQCLSA-N 1 0 302.378 0.666 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000186861113 287621720 /nfs/dbraw/zinc/62/17/20/287621720.db2.gz MYTZCTQKCKJORV-NEPJUHHUSA-N 1 0 322.409 0.355 10 0 DCAERO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[C@@H]1[NH3+] ZINC000230858806 545948277 /nfs/dbraw/zinc/94/82/77/545948277.db2.gz CSVARCSLQYDHJE-WPRPVWTQSA-N 1 0 306.819 0.821 10 0 DCAERO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1CC(F)F ZINC000179561161 261112778 /nfs/dbraw/zinc/11/27/78/261112778.db2.gz WHUWCNMZNVYDCY-OLZOCXBDSA-N 1 0 302.369 0.905 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)C(C)C ZINC000183634599 261116623 /nfs/dbraw/zinc/11/66/23/261116623.db2.gz OGSIEYZYAZJXFF-CJNGLKHVSA-N 1 0 319.405 0.987 10 0 DCAERO NC(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000192965828 261139409 /nfs/dbraw/zinc/13/94/09/261139409.db2.gz BSRPXTUTDXWMGK-CABCVRRESA-N 1 0 323.437 0.744 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000234599424 261155088 /nfs/dbraw/zinc/15/50/88/261155088.db2.gz SARCSXGVMUMFDZ-CHWSQXEVSA-N 1 0 318.439 0.684 10 0 DCAERO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000359869567 271147895 /nfs/dbraw/zinc/14/78/95/271147895.db2.gz HHYALKZQTDIADV-ZDUSSCGKSA-N 1 0 322.361 0.731 10 0 DCAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699604 272004966 /nfs/dbraw/zinc/00/49/66/272004966.db2.gz OOFVROZVVKNQNY-DJIMGWMZSA-N 1 0 315.421 0.749 10 0 DCAERO CCOc1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)ccc1OC ZINC000459700562 272005629 /nfs/dbraw/zinc/00/56/29/272005629.db2.gz PUDYHDVZOYPSSN-CYBMUJFWSA-N 1 0 306.366 0.836 10 0 DCAERO Brc1cncnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261556378 275378340 /nfs/dbraw/zinc/37/83/40/275378340.db2.gz BZOPFWYFEKLBMU-JTQLQIEISA-N 1 0 312.215 0.723 10 0 DCAERO Cn1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C(F)F)n1 ZINC000535848434 287846700 /nfs/dbraw/zinc/84/67/00/287846700.db2.gz XZOJBSZQQCPRCC-UHFFFAOYSA-N 1 0 315.368 0.677 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CC12COC2 ZINC000451136385 276288857 /nfs/dbraw/zinc/28/88/57/276288857.db2.gz NPDFRTYJUNRNPL-UWVGGRQHSA-N 1 0 311.300 0.811 10 0 DCAERO CCS(=O)(=O)N1CCC(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000540516996 287904229 /nfs/dbraw/zinc/90/42/29/287904229.db2.gz ISZPUTBLONYRTR-UHFFFAOYSA-N 1 0 319.471 0.458 10 0 DCAERO CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000127865874 277090371 /nfs/dbraw/zinc/09/03/71/277090371.db2.gz CZYISAQAWVFGGV-CABCVRRESA-N 1 0 305.426 0.730 10 0 DCAERO CC(=O)N[C@H](C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107284401 278163057 /nfs/dbraw/zinc/16/30/57/278163057.db2.gz SOECTOUWYOKOPQ-UKRRQHHQSA-N 1 0 310.442 0.140 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000546565752 288018756 /nfs/dbraw/zinc/01/87/56/288018756.db2.gz HTFMXJZPHROBQB-CYBMUJFWSA-N 1 0 306.410 0.701 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333217151 278192015 /nfs/dbraw/zinc/19/20/15/278192015.db2.gz VRYBHJMXHACWCO-KBXIAJHMSA-N 1 0 315.483 0.730 10 0 DCAERO C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000186483273 278235546 /nfs/dbraw/zinc/23/55/46/278235546.db2.gz XXQQWONQQLHVEH-XHDPSFHLSA-N 1 0 318.377 0.346 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000186712427 278563180 /nfs/dbraw/zinc/56/31/80/278563180.db2.gz ZFIFRCOUWIXZCC-NDBYEHHHSA-N 1 0 307.394 0.276 10 0 DCAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000548060873 288107591 /nfs/dbraw/zinc/10/75/91/288107591.db2.gz ZWDMUFVUKUZOTN-WMLDXEAASA-N 1 0 321.421 0.446 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126661887 279157208 /nfs/dbraw/zinc/15/72/08/279157208.db2.gz SUEXVDNRRHDWFG-VXGBXAGGSA-N 1 0 305.444 0.545 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333765626 279184350 /nfs/dbraw/zinc/18/43/50/279184350.db2.gz QDJMZHOWUUZZIZ-COMQUAJESA-N 1 0 323.437 0.205 10 0 DCAERO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000182919634 279343260 /nfs/dbraw/zinc/34/32/60/279343260.db2.gz VIAYUWPDJYUEPF-ZBFHGGJFSA-N 1 0 305.422 0.862 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000132217470 279477748 /nfs/dbraw/zinc/47/77/48/279477748.db2.gz LSYMVDFQCUNUOH-CHWSQXEVSA-N 1 0 313.446 0.820 10 0 DCAERO Cn1cc(OCC(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000548827868 288180625 /nfs/dbraw/zinc/18/06/25/288180625.db2.gz BHHAIVOBAZGIKG-UHFFFAOYSA-N 1 0 308.382 0.122 10 0 DCAERO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1O ZINC000550980614 288221529 /nfs/dbraw/zinc/22/15/29/288221529.db2.gz UXJADNHUWKXLFR-UHFFFAOYSA-N 1 0 323.393 0.427 10 0 DCAERO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000553697518 288305820 /nfs/dbraw/zinc/30/58/20/288305820.db2.gz YNQZHAJGJSTJBP-UHFFFAOYSA-N 1 0 313.361 0.651 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000556685127 288383787 /nfs/dbraw/zinc/38/37/87/288383787.db2.gz YDYJQFZJOYVRKZ-MRXNPFEDSA-N 1 0 316.405 0.998 10 0 DCAERO CN(C)c1nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc(=O)[nH]1 ZINC000407988495 289432412 /nfs/dbraw/zinc/43/24/12/289432412.db2.gz HFZYGUTUUIOPHA-LLVKDONJSA-N 1 0 307.398 0.805 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@@H]2C1 ZINC000408058516 290166298 /nfs/dbraw/zinc/16/62/98/290166298.db2.gz BKMSSENWJZPUKS-GRYCIOLGSA-N 1 0 312.414 0.001 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235626431 293721841 /nfs/dbraw/zinc/72/18/41/293721841.db2.gz XFRALGGLCOYTDO-JOYOIKCWSA-N 1 0 300.428 0.785 10 0 DCAERO [NH3+]C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)C1CC1 ZINC000238089275 295243442 /nfs/dbraw/zinc/24/34/42/295243442.db2.gz LEIBGBFUJZMVBG-LLVKDONJSA-N 1 0 306.757 0.783 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCOC[C@H]2Cc2ccccc2)O1 ZINC000261869927 295274731 /nfs/dbraw/zinc/27/47/31/295274731.db2.gz SWXHADKNCDUZNZ-OAGGEKHMSA-N 1 0 304.390 0.963 10 0 DCAERO [NH3+][C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000261887446 295291523 /nfs/dbraw/zinc/29/15/23/295291523.db2.gz VENJIJUFPKVESR-GFCCVEGCSA-N 1 0 323.359 0.837 10 0 DCAERO C[C@H](CS(C)(=O)=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176742543 298825693 /nfs/dbraw/zinc/82/56/93/298825693.db2.gz VHZFBQBTVSMKHD-GFCCVEGCSA-N 1 0 302.440 0.754 10 0 DCAERO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000252817047 298910617 /nfs/dbraw/zinc/91/06/17/298910617.db2.gz XNGCWZYHMCMJBQ-MHNGPXOMSA-N 1 0 304.437 0.752 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000262870139 300323953 /nfs/dbraw/zinc/32/39/53/300323953.db2.gz UYVWFJFBCRNLFR-STQMWFEESA-N 1 0 317.455 0.306 10 0 DCAERO [NH3+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000262471284 303379508 /nfs/dbraw/zinc/37/95/08/303379508.db2.gz JFJZIBAIUPOKJC-GFCCVEGCSA-N 1 0 319.361 0.485 10 0 DCAERO CC(C)OCCC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000171497204 331462222 /nfs/dbraw/zinc/46/22/22/331462222.db2.gz GWVCRBHEYURROT-UHFFFAOYSA-N 1 0 313.442 0.278 10 0 DCAERO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000570949565 333142113 /nfs/dbraw/zinc/14/21/13/333142113.db2.gz LHIPOTIDVMZHDJ-UONOGXRCSA-N 1 0 311.426 0.518 10 0 DCAERO CS(=O)(=O)c1ccc(N2CCC3(CC[NH2+]CC3)C2=O)nc1 ZINC000584624233 337375282 /nfs/dbraw/zinc/37/52/82/337375282.db2.gz KLDFNYDKMZQPTJ-UHFFFAOYSA-N 1 0 309.391 0.592 10 0 DCAERO CCOCC[N@@H+]1CCN(CCC(=O)NC(N)=O)C[C@H]1CC ZINC000105903169 519920734 /nfs/dbraw/zinc/92/07/34/519920734.db2.gz BMQMIQAXVCYUQA-GFCCVEGCSA-N 1 0 300.403 0.004 10 0 DCAERO COC(=O)C[C@@H](NC(=O)[C@@H](C)[NH3+])c1ccc(OC)cc1OC ZINC000262594716 523273611 /nfs/dbraw/zinc/27/36/11/523273611.db2.gz WDRBBJDIRVHFLC-BXKDBHETSA-N 1 0 310.350 0.771 10 0 DCAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1CCCC1=O ZINC000111683017 523279097 /nfs/dbraw/zinc/27/90/97/523279097.db2.gz RLQBQLJJSKOEPM-CYBMUJFWSA-N 1 0 306.362 0.830 10 0 DCAERO CCn1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000130397364 523402730 /nfs/dbraw/zinc/40/27/30/523402730.db2.gz ULIAWPUWLXLSJM-ZDUSSCGKSA-N 1 0 307.398 0.784 10 0 DCAERO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368793472 524152017 /nfs/dbraw/zinc/15/20/17/524152017.db2.gz WVWSGWBRXOPNCJ-YUMQZZPRSA-N 1 0 309.288 0.220 10 0 DCAERO Cc1cc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000365185904 524649499 /nfs/dbraw/zinc/64/94/99/524649499.db2.gz TXMRKSRCTDFZJK-KBPBESRZSA-N 1 0 308.382 0.988 10 0 DCAERO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000364923463 524793361 /nfs/dbraw/zinc/79/33/61/524793361.db2.gz QPIFLULZGLYKKR-LBPRGKRZSA-N 1 0 305.378 0.314 10 0 DCAERO Cc1cc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1C(=O)NC(C)C ZINC000157226354 525222003 /nfs/dbraw/zinc/22/20/03/525222003.db2.gz BEYRBQQQRCFNGH-JSGCOSHPSA-N 1 0 305.378 0.795 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccnc2)CC[N@@H+]1C ZINC000158470144 525243154 /nfs/dbraw/zinc/24/31/54/525243154.db2.gz DZLXBJYDSFCZSL-OCCSQVGLSA-N 1 0 304.394 0.753 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000179066482 534852087 /nfs/dbraw/zinc/85/20/87/534852087.db2.gz JAUJXDHABMQESM-LBPRGKRZSA-N 1 0 318.373 0.538 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000179066468 534852195 /nfs/dbraw/zinc/85/21/95/534852195.db2.gz JAUJXDHABMQESM-GFCCVEGCSA-N 1 0 318.373 0.538 10 0 DCAERO C[C@H](Sc1nncn1C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247174091 526017515 /nfs/dbraw/zinc/01/75/15/526017515.db2.gz KVBBIHCUBBYSDK-GRYCIOLGSA-N 1 0 309.439 0.991 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000173264231 527837367 /nfs/dbraw/zinc/83/73/67/527837367.db2.gz UIGZARYHUKHVAZ-YPMHNXCESA-N 1 0 300.428 0.771 10 0 DCAERO CCOCCOCC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188633746 528789089 /nfs/dbraw/zinc/78/90/89/528789089.db2.gz 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/nfs/dbraw/zinc/98/00/57/545980057.db2.gz IGMPBYYPHADYQV-WBVHZDCISA-N 1 0 316.401 0.835 10 0 DCAERO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262220330 545981122 /nfs/dbraw/zinc/98/11/22/545981122.db2.gz JLFVTKNTIANUQL-YNEHKIRRSA-N 1 0 311.426 0.110 10 0 DCAERO Cc1nc(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)n[nH]1 ZINC000262229243 545981133 /nfs/dbraw/zinc/98/11/33/545981133.db2.gz KECSPKPDDDSEFZ-STQMWFEESA-N 1 0 301.350 0.090 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ncccc1OCC(F)(F)F ZINC000262222040 545981270 /nfs/dbraw/zinc/98/12/70/545981270.db2.gz JONMBUSWDNFVPH-RKDXNWHRSA-N 1 0 319.283 0.333 10 0 DCAERO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262223418 545981335 /nfs/dbraw/zinc/98/13/35/545981335.db2.gz JQWGEZUIIFDXIQ-ZYHUDNBSSA-N 1 0 305.334 0.482 10 0 DCAERO CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262238909 545981870 /nfs/dbraw/zinc/98/18/70/545981870.db2.gz KUWLFWDHKZGGCH-GXTWGEPZSA-N 1 0 305.378 0.591 10 0 DCAERO 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OKUROGFFMHRFOS-GFCCVEGCSA-N 1 0 303.370 0.625 10 0 DCAERO O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000040861301 663050840 /nfs/dbraw/zinc/05/08/40/663050840.db2.gz SXPSTMNDQZQLJJ-VHSXEESVSA-N 1 0 315.361 0.847 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000888095197 661165578 /nfs/dbraw/zinc/16/55/78/661165578.db2.gz RPAXPQMJVWJMFT-SMKXDYDZSA-N 1 0 319.405 0.997 10 0 DCAERO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)[C@@H]1C(C)C ZINC000888095394 661166062 /nfs/dbraw/zinc/16/60/62/661166062.db2.gz YEMYLLQFZURPHL-JHNDHUHGSA-N 1 0 320.437 0.938 10 0 DCAERO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000723788622 657525814 /nfs/dbraw/zinc/52/58/14/657525814.db2.gz JSCQANWTDSDXJA-ZJUUUORDSA-N 1 0 302.371 0.968 10 0 DCAERO OC[C@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000090283165 657668251 /nfs/dbraw/zinc/66/82/51/657668251.db2.gz LBJONEPCMRUHMN-BDAKNGLRSA-N 1 0 310.177 0.676 10 0 DCAERO 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/nfs/dbraw/zinc/65/80/46/658658046.db2.gz PNADVCUEGODUBF-FRRDWIJNSA-N 1 0 302.440 0.800 10 0 DCAERO CC(C)N(C)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161452759 658773043 /nfs/dbraw/zinc/77/30/43/658773043.db2.gz REGMAQZALXTDQP-CYBMUJFWSA-N 1 0 321.487 0.596 10 0 DCAERO CCCCN(C(=O)[C@H]([NH3+])CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000052808434 658827331 /nfs/dbraw/zinc/82/73/31/658827331.db2.gz AWLMWTYPTNYJMA-VXGBXAGGSA-N 1 0 306.428 0.166 10 0 DCAERO CC(C)S(=O)(=O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000313287714 659099293 /nfs/dbraw/zinc/09/92/93/659099293.db2.gz FEPXDOYICRMOQO-LBPRGKRZSA-N 1 0 305.396 0.570 10 0 DCAERO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](CC2CC2)CC1 ZINC000124200553 659658824 /nfs/dbraw/zinc/65/88/24/659658824.db2.gz ZGLAVUQSQVTMPC-GJZGRUSLSA-N 1 0 303.406 0.923 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cncc(Br)c1 ZINC000261567773 661304911 /nfs/dbraw/zinc/30/49/11/661304911.db2.gz FBULVKGAAPGKJE-ZETCQYMHSA-N 1 0 308.201 0.730 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000261618744 661325247 /nfs/dbraw/zinc/32/52/47/661325247.db2.gz BBKSGLJWBMWCMT-MRVPVSSYSA-N 1 0 320.798 0.997 10 0 DCAERO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[NH3+])c1 ZINC000036297808 661404513 /nfs/dbraw/zinc/40/45/13/661404513.db2.gz KIWUCLWSLMKDHG-UHFFFAOYSA-N 1 0 306.771 0.754 10 0 DCAERO CC[NH2+]CCNS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000237021129 661556436 /nfs/dbraw/zinc/55/64/36/661556436.db2.gz TWYNUQUNOWENQR-UHFFFAOYSA-N 1 0 300.380 0.669 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000188438151 661598291 /nfs/dbraw/zinc/59/82/91/661598291.db2.gz FEXSMDRFZBINTP-ZDUSSCGKSA-N 1 0 320.437 0.746 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000726844109 661677417 /nfs/dbraw/zinc/67/74/17/661677417.db2.gz MWTRGQRBRSLEEH-GJZGRUSLSA-N 1 0 315.410 0.628 10 0 DCAERO [NH3+]C1(C(=O)NCCS(=O)(=O)c2ccccc2)CCOCC1 ZINC000261809733 661714760 /nfs/dbraw/zinc/71/47/60/661714760.db2.gz JMCOWUMKWPOSDN-UHFFFAOYSA-N 1 0 312.391 0.084 10 0 DCAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000178941552 662051728 /nfs/dbraw/zinc/05/17/28/662051728.db2.gz OYVKYNPUSNJEOL-SECBINFHSA-N 1 0 306.819 0.612 10 0 DCAERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000897006723 662382707 /nfs/dbraw/zinc/38/27/07/662382707.db2.gz SSUPHKPRXLNRCP-GJZGRUSLSA-N 1 0 317.389 0.782 10 0 DCAERO O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000909191810 663786196 /nfs/dbraw/zinc/78/61/96/663786196.db2.gz UYWXJUUIWGCBCY-CBBWQLFWSA-N 1 0 304.394 0.691 10 0 DCAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)C12CCC2 ZINC000721241226 664355663 /nfs/dbraw/zinc/35/56/63/664355663.db2.gz FCKGQKGKMBULII-UPJWGTAASA-N 1 0 303.424 0.737 10 0 DCAERO CC(C)CN1C(=O)C(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000172504360 664622294 /nfs/dbraw/zinc/62/22/94/664622294.db2.gz ZFIUGTNMXUUJPZ-GFCCVEGCSA-N 1 0 308.382 0.171 10 0 DCAERO CC(C)(O)C[NH+]1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000172910545 664625509 /nfs/dbraw/zinc/62/55/09/664625509.db2.gz AATUVIHDWFOHNJ-KBPBESRZSA-N 1 0 321.421 0.284 10 0 DCAERO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)nc1C ZINC000063168065 664626466 /nfs/dbraw/zinc/62/64/66/664626466.db2.gz NSTYAJUCEQDJDH-GFCCVEGCSA-N 1 0 300.428 0.974 10 0 DCAERO COC(=O)c1ncn(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000151823689 664717655 /nfs/dbraw/zinc/71/76/55/664717655.db2.gz OYFBCVPNNHEVOS-UHFFFAOYSA-N 1 0 307.398 0.830 10 0 DCAERO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)CC1(CO)CC1 ZINC000186821850 666599717 /nfs/dbraw/zinc/59/97/17/666599717.db2.gz NSYNMRBBUURRMP-UHFFFAOYSA-N 1 0 312.410 0.493 10 0 DCAERO CC(C)C[C@@H](O)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702402383 666954768 /nfs/dbraw/zinc/95/47/68/666954768.db2.gz LCOBJOXKRQINCA-CVEARBPZSA-N 1 0 307.438 0.969 10 0 DCAERO O=C(/C=C\c1ccc(Br)o1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702843002 667010063 /nfs/dbraw/zinc/01/00/63/667010063.db2.gz ZCSVZFFLCKGXSM-UQFUPZHMSA-N 1 0 315.167 0.752 10 0 DCAERO 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670222421 /nfs/dbraw/zinc/22/24/21/670222421.db2.gz DCRKWPQCWUDNDD-UHFFFAOYSA-N 1 0 313.199 0.858 10 0 DCAERO COCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000193188511 670250823 /nfs/dbraw/zinc/25/08/23/670250823.db2.gz OJGOXUHYUFPEKQ-AWEZNQCLSA-N 1 0 305.378 0.934 10 0 DCAERO CC(C)n1ncc2cc(C=CC(=O)NC[C@@H](C)[NH3+])c(=O)[nH]c21 ZINC000194907091 670461872 /nfs/dbraw/zinc/46/18/72/670461872.db2.gz RMYLHIJREYPAQC-ORAHPGNNSA-N 1 0 303.366 0.782 10 0 DCAERO NC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000818324784 671004330 /nfs/dbraw/zinc/00/43/30/671004330.db2.gz OOEGPTRQMFFJRF-GXTWGEPZSA-N 1 0 319.340 0.497 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)c2nnc3ccccc3c2O)CCO1 ZINC000116978255 671148663 /nfs/dbraw/zinc/14/86/63/671148663.db2.gz JFMJUSPJXQLBKA-NSHDSACASA-N 1 0 316.361 0.326 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000110816328 671154342 /nfs/dbraw/zinc/15/43/42/671154342.db2.gz RSRDSNOOKDGHJI-UHFFFAOYSA-N 1 0 311.304 0.828 10 0 DCAERO CC(C)(C)S(=O)(=O)CCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000718733713 685305517 /nfs/dbraw/zinc/30/55/17/685305517.db2.gz MAUOYXISESIJKV-CHWSQXEVSA-N 1 0 304.456 0.653 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H]1C(F)(F)F ZINC000720802508 685315786 /nfs/dbraw/zinc/31/57/86/685315786.db2.gz CIAZSOOUBZPJNH-IUCAKERBSA-N 1 0 301.334 0.396 10 0 DCAERO Cn1cc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(Br)n1 ZINC000720059335 685311754 /nfs/dbraw/zinc/31/17/54/685311754.db2.gz BIRCIXGQHGEWNF-QMMMGPOBSA-N 1 0 301.188 0.751 10 0 DCAERO O=S1(=O)CCC(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000720456108 685314029 /nfs/dbraw/zinc/31/40/29/685314029.db2.gz IWQFWRCLWUKGIV-KGLIPLIRSA-N 1 0 318.508 0.981 10 0 DCAERO CO[C@@]1(C[NH2+]Cc2nc(C)ccc2O)CCS(=O)(=O)C1 ZINC000721226930 685318364 /nfs/dbraw/zinc/31/83/64/685318364.db2.gz CHIJJJFZUZIJHN-CYBMUJFWSA-N 1 0 300.380 0.389 10 0 DCAERO COCC[N@@H+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H]1C ZINC000246966745 685168216 /nfs/dbraw/zinc/16/82/16/685168216.db2.gz DPYNTGMTQXMFHY-LRDDRELGSA-N 1 0 324.425 0.317 10 0 DCAERO CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CCN1C[C@H](C)O ZINC000246971152 685168757 /nfs/dbraw/zinc/16/87/57/685168757.db2.gz JCGQJDWJUGXEFL-UONOGXRCSA-N 1 0 306.472 0.587 10 0 DCAERO C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000249553052 685181918 /nfs/dbraw/zinc/18/19/18/685181918.db2.gz ISOYMGUJXULRLH-XHDPSFHLSA-N 1 0 300.349 0.997 10 0 DCAERO CS(=O)(=O)N1CC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000253232384 685187142 /nfs/dbraw/zinc/18/71/42/685187142.db2.gz FCYVRQHPGDCIFO-BFHYXJOUSA-N 1 0 314.451 0.815 10 0 DCAERO NC(=O)c1ccc(N2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000270572409 685191858 /nfs/dbraw/zinc/19/18/58/685191858.db2.gz HAAOHZWPNIDQJK-KGLIPLIRSA-N 1 0 304.394 0.606 10 0 DCAERO C[C@@H]([NH3+])CN(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000380161778 685236628 /nfs/dbraw/zinc/23/66/28/685236628.db2.gz WGGIVNMIBOQSAZ-SECBINFHSA-N 1 0 320.436 0.277 10 0 DCAERO C[C@@H](CN1CCOCC1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000383323005 685242675 /nfs/dbraw/zinc/24/26/75/685242675.db2.gz SWOZWDHAIDHNIO-VIFPVBQESA-N 1 0 303.204 0.983 10 0 DCAERO NS(=O)(=O)c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)o1 ZINC000088538874 1157503711 /nfs/dbraw/zinc/50/37/11/1157503711.db2.gz RIYRIHWHRLXDJY-LBPRGKRZSA-N 1 0 318.395 0.602 10 0 DCAERO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCS(=O)(=O)CC1 ZINC000250831436 1157772630 /nfs/dbraw/zinc/77/26/30/1157772630.db2.gz JGAHGFHPNYKLDZ-UPJWGTAASA-N 1 0 300.424 0.554 10 0 DCAERO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000023697592 1171408282 /nfs/dbraw/zinc/40/82/82/1171408282.db2.gz LTGZRIVPZKISAZ-JTQLQIEISA-N 1 0 313.423 0.899 10 0 DCAERO C[C@H]1C[C@H](N(C)Cc2nc(CS(C)(=O)=O)no2)CC[N@@H+]1C ZINC000173527948 1183911876 /nfs/dbraw/zinc/91/18/76/1183911876.db2.gz HSXNERROBNWQLZ-WDEREUQCSA-N 1 0 316.427 0.529 10 0 DCAERO Cc1nc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(=O)[nH]c1C ZINC000179549348 1185166805 /nfs/dbraw/zinc/16/68/05/1185166805.db2.gz LDOYYABDPCQYIQ-ZDUSSCGKSA-N 1 0 320.393 0.181 10 0 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AKLPHDIREYDFFA-UHFFFAOYSA-N 1 0 306.103 0.974 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000181504245 199308076 /nfs/dbraw/zinc/30/80/76/199308076.db2.gz UJESRFJMYDEGGJ-STQMWFEESA-N 1 0 308.426 0.781 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2ccnc2)CC1 ZINC000181526907 199311857 /nfs/dbraw/zinc/31/18/57/199311857.db2.gz UZHKDXQZSBAOBR-AWEZNQCLSA-N 1 0 323.441 0.617 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCn2ccnn2)C1 ZINC000182462782 529808568 /nfs/dbraw/zinc/80/85/68/529808568.db2.gz KLSHFVUUQLSAGG-KGLIPLIRSA-N 1 0 306.414 0.794 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)NCCNC(=O)c2ccn[nH]2)CC[N@@H+]1C ZINC000181859580 199363569 /nfs/dbraw/zinc/36/35/69/199363569.db2.gz PVVHQWMTAOYBKP-NWDGAFQWSA-N 1 0 322.413 0.264 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000070170304 190866498 /nfs/dbraw/zinc/86/64/98/190866498.db2.gz ASDNHEGVLNWKTL-FRRDWIJNSA-N 1 0 305.444 0.401 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCCC[C@@H]1C 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10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCO1 ZINC000172046697 198030007 /nfs/dbraw/zinc/03/00/07/198030007.db2.gz WCHDMGHDOMJDMS-ZDUSSCGKSA-N 1 0 306.366 0.580 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCO1 ZINC000172305998 198075805 /nfs/dbraw/zinc/07/58/05/198075805.db2.gz NLEZIEJCIGLVHF-CYBMUJFWSA-N 1 0 315.373 0.931 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000174179806 198303070 /nfs/dbraw/zinc/30/30/70/198303070.db2.gz DNGXYQJYIQZGTE-CYBMUJFWSA-N 1 0 304.394 0.754 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000174354540 198323995 /nfs/dbraw/zinc/32/39/95/198323995.db2.gz YMVCQXWBXDBEKT-ZDUSSCGKSA-N 1 0 320.393 0.444 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NCc1ccc(S(N)(=O)=O)o1 ZINC000088539201 545711939 /nfs/dbraw/zinc/71/19/39/545711939.db2.gz POMPPFYKIOFRKX-NSHDSACASA-N 1 0 303.428 0.993 10 0 DCAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000236837740 202032422 /nfs/dbraw/zinc/03/24/22/202032422.db2.gz 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/nfs/dbraw/zinc/72/85/51/395728551.db2.gz DKSHRWVGCRVQMO-UHFFFAOYSA-N 1 0 313.423 0.951 10 0 DCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000040633796 395734647 /nfs/dbraw/zinc/73/46/47/395734647.db2.gz RVHMQDNEPONXCO-HBNTYKKESA-N 1 0 309.332 0.364 10 0 DCAERO C=Cn1cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000194076248 395787835 /nfs/dbraw/zinc/78/78/35/395787835.db2.gz DYEQDWQLLGSAMN-AWEZNQCLSA-N 1 0 310.423 0.984 10 0 DCAERO COC(=O)C1(NC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCCCC1 ZINC000193617223 395775062 /nfs/dbraw/zinc/77/50/62/395775062.db2.gz ALDWBAMYGKRFPQ-OKILXGFUSA-N 1 0 323.437 0.472 10 0 DCAERO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194801125 395808738 /nfs/dbraw/zinc/80/87/38/395808738.db2.gz HDCRBOSMYCJZEA-HNNXBMFYSA-N 1 0 315.417 0.946 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC(=O)N(C)C ZINC000111840073 395814676 /nfs/dbraw/zinc/81/46/76/395814676.db2.gz DKVYECOHVHUBIH-CYBMUJFWSA-N 1 0 314.430 0.265 10 0 DCAERO 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GYHVFGNCVIFLIN-UHFFFAOYSA-N 1 0 313.760 0.983 10 0 DCAERO CCOC(=O)C(C)(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000119236914 395868881 /nfs/dbraw/zinc/86/88/81/395868881.db2.gz BPFBBAMCLRQSBO-UHFFFAOYSA-N 1 0 300.399 0.804 10 0 DCAERO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000230852109 395882298 /nfs/dbraw/zinc/88/22/98/395882298.db2.gz QKLABLUPDLQDGN-RKDXNWHRSA-N 1 0 306.819 0.821 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248832027 395998392 /nfs/dbraw/zinc/99/83/92/395998392.db2.gz MGYVJGKPWFMSOM-YNEHKIRRSA-N 1 0 300.399 0.563 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000246372042 395948180 /nfs/dbraw/zinc/94/81/80/395948180.db2.gz QIMAKTPBFBSKMT-XHSDSOJGSA-N 1 0 324.469 0.975 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](CN2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246389113 395948577 /nfs/dbraw/zinc/94/85/77/395948577.db2.gz SIARYCBDDPBZQT-GJZGRUSLSA-N 1 0 315.483 0.828 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccn2)CC1 ZINC000139252700 395953472 /nfs/dbraw/zinc/95/34/72/395953472.db2.gz OVGJZMDFALUXJC-ZDUSSCGKSA-N 1 0 304.398 0.402 10 0 DCAERO C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000246591228 395953682 /nfs/dbraw/zinc/95/36/82/395953682.db2.gz WTVBZZNRKAWDQL-XJKSGUPXSA-N 1 0 303.406 0.938 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc(C)no2)CC1=O ZINC000246761128 395957093 /nfs/dbraw/zinc/95/70/93/395957093.db2.gz NXXDBFSFWRBIOG-NWDGAFQWSA-N 1 0 321.381 0.649 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246832299 395958880 /nfs/dbraw/zinc/95/88/80/395958880.db2.gz CUHOQHQAUHEQOZ-NEPJUHHUSA-N 1 0 303.428 0.299 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000246956844 395961747 /nfs/dbraw/zinc/96/17/47/395961747.db2.gz KXKLZIIKAAIZGA-JKSUJKDBSA-N 1 0 324.469 0.977 10 0 DCAERO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247014127 395963704 /nfs/dbraw/zinc/96/37/04/395963704.db2.gz CGWVOAACHRRNGQ-LSDHHAIUSA-N 1 0 323.441 0.921 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1C(=O)CCC1=O ZINC000247124064 395967006 /nfs/dbraw/zinc/96/70/06/395967006.db2.gz JECUAHLLEMPPCG-STQMWFEESA-N 1 0 322.409 0.404 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000247511421 395975016 /nfs/dbraw/zinc/97/50/16/395975016.db2.gz VWMCPPLLSCZLEC-OCCSQVGLSA-N 1 0 317.389 0.859 10 0 DCAERO CCOC(=O)CCCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358059 395984172 /nfs/dbraw/zinc/98/41/72/395984172.db2.gz QHFYRHOUGCHWEJ-AWEZNQCLSA-N 1 0 311.426 0.616 10 0 DCAERO C[N@H+](CCCCO)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000276400577 395992962 /nfs/dbraw/zinc/99/29/62/395992962.db2.gz ONLBSMCIKNHVAR-UHFFFAOYSA-N 1 0 302.396 0.417 10 0 DCAERO CNC(=O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248744723 395996440 /nfs/dbraw/zinc/99/64/40/395996440.db2.gz FIOVRCGKLAPKCJ-GXTWGEPZSA-N 1 0 304.394 0.552 10 0 DCAERO CCC[C@H](C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[NH+](C)C ZINC000154127933 396032204 /nfs/dbraw/zinc/03/22/04/396032204.db2.gz XKZFMNQGQLADBI-VXGBXAGGSA-N 1 0 309.414 0.586 10 0 DCAERO Cn1nnc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)n1 ZINC000067955215 396040837 /nfs/dbraw/zinc/04/08/37/396040837.db2.gz CAMAFLZCJCGTCP-LLVKDONJSA-N 1 0 300.366 0.559 10 0 DCAERO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000261649812 396052169 /nfs/dbraw/zinc/05/21/69/396052169.db2.gz HLSPXXXMIMBYRE-VIFPVBQESA-N 1 0 316.379 0.353 10 0 DCAERO C[C@H](NC(=O)CN(CC[NH3+])CCc1ccccc1)C(=O)N(C)C ZINC000261754243 396062156 /nfs/dbraw/zinc/06/21/56/396062156.db2.gz MEIQPDRFVKVHBP-AWEZNQCLSA-N 1 0 320.437 0.083 10 0 DCAERO CN(C)C(=O)COc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261782399 396065019 /nfs/dbraw/zinc/06/50/19/396065019.db2.gz HPMJUMGUGKZTBA-UHFFFAOYSA-N 1 0 321.377 0.600 10 0 DCAERO C[C@]1(C[NH3+])CCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000261784854 396065777 /nfs/dbraw/zinc/06/57/77/396065777.db2.gz NESRLZIUTIRDOR-GOSISDBHSA-N 1 0 316.449 0.836 10 0 DCAERO Cc1cc(CN2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)on1 ZINC000261782745 396066000 /nfs/dbraw/zinc/06/60/00/396066000.db2.gz NBXVFSKYFUYETH-HNNXBMFYSA-N 1 0 322.409 0.381 10 0 DCAERO Cc1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nn1C ZINC000261814624 396068627 /nfs/dbraw/zinc/06/86/27/396068627.db2.gz HPZUFHJGVIWQGT-NSHDSACASA-N 1 0 319.331 0.294 10 0 DCAERO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n(C)n1 ZINC000249252942 396004573 /nfs/dbraw/zinc/00/45/73/396004573.db2.gz YCYQTWANOLNULY-VXGBXAGGSA-N 1 0 305.382 0.362 10 0 DCAERO CSC[C@H](O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249427066 396008119 /nfs/dbraw/zinc/00/81/19/396008119.db2.gz GBDJRYCVFNFJIS-HUUCEWRRSA-N 1 0 301.500 0.812 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CNC(=O)C1 ZINC000252444675 396020225 /nfs/dbraw/zinc/02/02/25/396020225.db2.gz ZQARRIDMQMARFW-VNHYZAJKSA-N 1 0 316.405 0.544 10 0 DCAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261994099 396088056 /nfs/dbraw/zinc/08/80/56/396088056.db2.gz TWHNRQKEFKDYQX-OJLVUWQFSA-N 1 0 320.437 0.900 10 0 DCAERO C[NH2+]CCC1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000262034828 396092480 /nfs/dbraw/zinc/09/24/80/396092480.db2.gz KHZSSNZWRQFHJL-UHFFFAOYSA-N 1 0 310.398 0.165 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000262066863 396095398 /nfs/dbraw/zinc/09/53/98/396095398.db2.gz JCXIFAOMCRPPFT-GHMZBOCLSA-N 1 0 310.350 0.053 10 0 DCAERO COCC[NH2+]CCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000262096622 396098874 /nfs/dbraw/zinc/09/88/74/396098874.db2.gz IBJXHWNIFVSFJY-UHFFFAOYSA-N 1 0 323.418 0.478 10 0 DCAERO NC(=O)NCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171086991 396106374 /nfs/dbraw/zinc/10/63/74/396106374.db2.gz KYCIWUXYKYNGGT-UHFFFAOYSA-N 1 0 304.394 0.957 10 0 DCAERO CCNC(=O)CN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262173090 396107259 /nfs/dbraw/zinc/10/72/59/396107259.db2.gz VKHKZSYPBIPJTH-ZDUSSCGKSA-N 1 0 305.426 0.500 10 0 DCAERO COC[C@@]1(CNS(=O)(=O)c2cc(C)cnc2N)CCC[NH2+]1 ZINC000262191049 396108606 /nfs/dbraw/zinc/10/86/06/396108606.db2.gz CHEBCCUOCXJKFF-ZDUSSCGKSA-N 1 0 314.411 0.019 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000262255407 396116168 /nfs/dbraw/zinc/11/61/68/396116168.db2.gz LUKBJYACDJIGBM-XZBIERFOSA-N 1 0 302.374 0.423 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262292009 396118965 /nfs/dbraw/zinc/11/89/65/396118965.db2.gz OUHROPWVMSUELU-JYJNAYRXSA-N 1 0 303.406 0.348 10 0 DCAERO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3C[NH2+]C3)C2)nc1 ZINC000262295064 396119768 /nfs/dbraw/zinc/11/97/68/396119768.db2.gz YHDHOJHGDOQEEF-GFCCVEGCSA-N 1 0 302.378 0.787 10 0 DCAERO COC(C)(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171594498 396119903 /nfs/dbraw/zinc/11/99/03/396119903.db2.gz KBFUONNEGHJBMN-UHFFFAOYSA-N 1 0 306.410 0.875 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000262320836 396123826 /nfs/dbraw/zinc/12/38/26/396123826.db2.gz QIGCGGMCQGLUMM-OBJOEFQTSA-N 1 0 322.409 0.285 10 0 DCAERO Cn1ccnc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362862 396130439 /nfs/dbraw/zinc/13/04/39/396130439.db2.gz WPYLHVNHWSUTHA-KBPBESRZSA-N 1 0 305.426 0.500 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000262366754 396130993 /nfs/dbraw/zinc/13/09/93/396130993.db2.gz WFCKPYAJZCZHRC-GFCCVEGCSA-N 1 0 311.357 0.457 10 0 DCAERO C[NH+](C)C[C@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000172770546 396132920 /nfs/dbraw/zinc/13/29/20/396132920.db2.gz NAHHNZSDJBIARL-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO CN[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378067 396132895 /nfs/dbraw/zinc/13/28/95/396132895.db2.gz MOLRYKJMIOQMTL-GJZGRUSLSA-N 1 0 305.426 0.767 10 0 DCAERO C[C@@]1(CN2CCN(CC(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261888443 396076037 /nfs/dbraw/zinc/07/60/37/396076037.db2.gz SNBWPSGFZLDZOE-QGZVFWFLSA-N 1 0 308.470 0.616 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@]2(C)CCCC[C@H]2O)cn1 ZINC000261900624 396077470 /nfs/dbraw/zinc/07/74/70/396077470.db2.gz AEZPFVLMYCZXHT-DLTWYDFYSA-N 1 0 320.437 0.781 10 0 DCAERO C[C@@]1(CNC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000162347316 396079851 /nfs/dbraw/zinc/07/98/51/396079851.db2.gz RJGUWFUHMNPASW-INIZCTEOSA-N 1 0 314.393 0.844 10 0 DCAERO [NH3+]C1(C(=O)NCc2ccc(-n3cccn3)cc2)CCOCC1 ZINC000261929924 396080075 /nfs/dbraw/zinc/08/00/75/396080075.db2.gz WBOXEGYSKFYYAJ-UHFFFAOYSA-N 1 0 300.362 0.996 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000261935686 396080767 /nfs/dbraw/zinc/08/07/67/396080767.db2.gz TYQVAORPOBOFIO-NHYWBVRUSA-N 1 0 321.377 0.042 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(S(C)(=O)=O)o2)n1 ZINC000263253698 396208944 /nfs/dbraw/zinc/20/89/44/396208944.db2.gz QGNVGLYQLGLWFJ-QMMMGPOBSA-N 1 0 312.351 0.309 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC000175875501 396144578 /nfs/dbraw/zinc/14/45/78/396144578.db2.gz KKMWAADOQZTMHQ-CQSZACIVSA-N 1 0 320.441 0.366 10 0 DCAERO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262510946 396149298 /nfs/dbraw/zinc/14/92/98/396149298.db2.gz DDASLGWQEJWZEF-UPJWGTAASA-N 1 0 317.455 0.353 10 0 DCAERO CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000262545686 396152930 /nfs/dbraw/zinc/15/29/30/396152930.db2.gz RXEFBCRMCXSWJM-CHWSQXEVSA-N 1 0 316.361 0.049 10 0 DCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262563581 396155839 /nfs/dbraw/zinc/15/58/39/396155839.db2.gz XDNRNKVZNSUNRW-VGWMRTNUSA-N 1 0 304.390 0.824 10 0 DCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262564754 396155945 /nfs/dbraw/zinc/15/59/45/396155945.db2.gz WIWWPITYPJZXKC-LSSIXWDNSA-N 1 0 311.426 0.359 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262563100 396156257 /nfs/dbraw/zinc/15/62/57/396156257.db2.gz AQBAQXLLGUFOED-NSHDSACASA-N 1 0 316.361 0.218 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262569099 396157118 /nfs/dbraw/zinc/15/71/18/396157118.db2.gz XEFDJJCJOIPBOA-LMOYCYGVSA-N 1 0 306.410 0.920 10 0 DCAERO CCC[C@](C)([NH3+])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000262578064 396157459 /nfs/dbraw/zinc/15/74/59/396157459.db2.gz PFJRNUOBSSFNLE-LBPRGKRZSA-N 1 0 319.452 0.660 10 0 DCAERO COCCOc1cc2c(cc1CNC[C@@H]1C[NH2+]C[C@H]1O)OCO2 ZINC000263263112 396210544 /nfs/dbraw/zinc/21/05/44/396210544.db2.gz RFQULHXUWLORKB-CHWSQXEVSA-N 1 0 324.377 0.110 10 0 DCAERO CC(C)COC[C@@H](O)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262738045 396177099 /nfs/dbraw/zinc/17/70/99/396177099.db2.gz IWUAZJRVPQQOPT-KBPBESRZSA-N 1 0 324.425 0.571 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262814065 396184365 /nfs/dbraw/zinc/18/43/65/396184365.db2.gz YXHPHDBYIAZCQP-PSASIEDQSA-N 1 0 302.352 0.343 10 0 DCAERO C[C@@H](O)CC[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000075777607 396187161 /nfs/dbraw/zinc/18/71/61/396187161.db2.gz AYEGFNDGCFLVPS-CQSZACIVSA-N 1 0 305.422 0.868 10 0 DCAERO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075860108 396188015 /nfs/dbraw/zinc/18/80/15/396188015.db2.gz WEVVHLBGKAWGLF-GJZGRUSLSA-N 1 0 324.469 0.517 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263289247 396211930 /nfs/dbraw/zinc/21/19/30/396211930.db2.gz VKNOJAYRIDNOMY-ONGXEEELSA-N 1 0 305.338 0.730 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263025964 396198251 /nfs/dbraw/zinc/19/82/51/396198251.db2.gz RKHZBIIHDLJOHZ-VXGBXAGGSA-N 1 0 305.369 0.457 10 0 DCAERO O=C(CCCNC(=O)c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178549827 396198654 /nfs/dbraw/zinc/19/86/54/396198654.db2.gz BQMCQNHQEKLASL-OAHLLOKOSA-N 1 0 316.405 0.898 10 0 DCAERO CC[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000178622283 396201072 /nfs/dbraw/zinc/20/10/72/396201072.db2.gz ZZUHZKARKJSZFF-STQMWFEESA-N 1 0 321.425 0.680 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(COc2ccc(C(N)=O)cc2)n1 ZINC000263132154 396202857 /nfs/dbraw/zinc/20/28/57/396202857.db2.gz BUONMLOQFNHSDQ-LBPRGKRZSA-N 1 0 317.349 0.324 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2sccc2-n2cnnn2)n1 ZINC000263150587 396203402 /nfs/dbraw/zinc/20/34/02/396203402.db2.gz DAJWLXAOIVVHCD-VIFPVBQESA-N 1 0 318.366 0.350 10 0 DCAERO Oc1ccc(Br)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263158290 396203652 /nfs/dbraw/zinc/20/36/52/396203652.db2.gz DPNVXQWCVXGCHR-SKDRFNHKSA-N 1 0 301.184 0.825 10 0 DCAERO COc1ccc(-c2n[nH]cc2CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263149348 396203852 /nfs/dbraw/zinc/20/38/52/396203852.db2.gz CYSAKTLOKVLMKH-DOMZBBRYSA-N 1 0 302.378 0.755 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2n[nH]c(=O)c3ccccc32)n1 ZINC000263166046 396204614 /nfs/dbraw/zinc/20/46/14/396204614.db2.gz FDXKTOXXWJAKHL-LLVKDONJSA-N 1 0 312.333 0.549 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCn2cc(C)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000181784303 396242189 /nfs/dbraw/zinc/24/21/89/396242189.db2.gz CNKSVXDFZLYDMH-HUUCEWRRSA-N 1 0 323.441 0.678 10 0 DCAERO CS(=O)(=O)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181992692 396245022 /nfs/dbraw/zinc/24/50/22/396245022.db2.gz FMIOOYXSPANJNE-MCIONIFRSA-N 1 0 317.451 0.985 10 0 DCAERO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185141697 396319666 /nfs/dbraw/zinc/31/96/66/396319666.db2.gz LGFSZYSLPPEQCZ-CHWSQXEVSA-N 1 0 318.373 0.490 10 0 DCAERO CC(C)OCCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185218159 396322038 /nfs/dbraw/zinc/32/20/38/396322038.db2.gz RHHDYFTYTWIRMB-ZIAGYGMSSA-N 1 0 301.431 0.898 10 0 DCAERO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H](CO)CC(C)C)C1 ZINC000185312695 396325423 /nfs/dbraw/zinc/32/54/23/396325423.db2.gz NYGQPNSZTPDAMG-GJZGRUSLSA-N 1 0 313.442 0.452 10 0 DCAERO CO[C@@H]1CCN(S(=O)(=O)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000167300879 285717332 /nfs/dbraw/zinc/71/73/32/285717332.db2.gz RRQJUHRNRYIYKW-CHWSQXEVSA-N 1 0 305.444 0.401 10 0 DCAERO COCC1=CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000187691878 396372877 /nfs/dbraw/zinc/37/28/77/396372877.db2.gz RFCUZAJZKUSTDE-AWEZNQCLSA-N 1 0 302.440 0.937 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000186477225 396350685 /nfs/dbraw/zinc/35/06/85/396350685.db2.gz WXFSTMQLSSSSGC-CYBMUJFWSA-N 1 0 311.407 0.299 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186536991 396351653 /nfs/dbraw/zinc/35/16/53/396351653.db2.gz CSWWSADSMDQJHZ-NSHDSACASA-N 1 0 303.428 0.011 10 0 DCAERO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188638195 396384391 /nfs/dbraw/zinc/38/43/91/396384391.db2.gz QWXLHFHBXBTARQ-UHFFFAOYSA-N 1 0 320.393 0.158 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188817949 396387272 /nfs/dbraw/zinc/38/72/72/396387272.db2.gz PIJVGPGWNOQHPD-CYBMUJFWSA-N 1 0 308.426 0.781 10 0 DCAERO CC(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188995027 396389954 /nfs/dbraw/zinc/38/99/54/396389954.db2.gz YEFYBUNDYITAET-FZMZJTMJSA-N 1 0 311.332 0.663 10 0 DCAERO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000189472995 396395817 /nfs/dbraw/zinc/39/58/17/396395817.db2.gz QTPQENPFUZGRFE-ZDUSSCGKSA-N 1 0 324.450 0.950 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190415015 396405741 /nfs/dbraw/zinc/40/57/41/396405741.db2.gz VBURNNFCSFOFIE-RYUDHWBXSA-N 1 0 313.467 0.797 10 0 DCAERO CCc1nnc(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000190644875 396409528 /nfs/dbraw/zinc/40/95/28/396409528.db2.gz CMPVFWHDBOIPGS-CQSZACIVSA-N 1 0 323.441 0.240 10 0 DCAERO CCc1nnc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)[nH]1 ZINC000190704109 396410352 /nfs/dbraw/zinc/41/03/52/396410352.db2.gz GXYLMGGESBXDEL-UHFFFAOYSA-N 1 0 321.425 0.795 10 0 DCAERO COCCN(C)c1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cn1 ZINC000190960480 396413185 /nfs/dbraw/zinc/41/31/85/396413185.db2.gz GAEUNZDOEIEASQ-OAHLLOKOSA-N 1 0 308.426 0.584 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000268867891 396375629 /nfs/dbraw/zinc/37/56/29/396375629.db2.gz FTHZMLBGMPFFQJ-SMDDNHRTSA-N 1 0 302.378 0.410 10 0 DCAERO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372221590 396498391 /nfs/dbraw/zinc/49/83/91/396498391.db2.gz JUXYUXSMWATCMB-UPJWGTAASA-N 1 0 303.428 0.168 10 0 DCAERO C[C@H]([NH3+])CCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000193293141 396448038 /nfs/dbraw/zinc/44/80/38/396448038.db2.gz WJYCZYBNYFMLKR-AWEZNQCLSA-N 1 0 310.442 0.271 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193413587 396450936 /nfs/dbraw/zinc/45/09/36/396450936.db2.gz NIPDJRUCTBGUQF-WDEREUQCSA-N 1 0 314.407 0.980 10 0 DCAERO Cc1onc(N)c1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292095468 396529697 /nfs/dbraw/zinc/52/96/97/396529697.db2.gz SZCASYVDWVLKKY-LBPRGKRZSA-N 1 0 300.384 0.282 10 0 DCAERO FC(F)C(F)(F)COCCN1CCN2CCOC[C@H]2C1 ZINC000372710586 396539016 /nfs/dbraw/zinc/53/90/16/396539016.db2.gz DGHVGJABXQZFBJ-SNVBAGLBSA-N 1 0 300.296 0.920 10 0 DCAERO COC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)[nH]1 ZINC000293972026 396644899 /nfs/dbraw/zinc/64/48/99/396644899.db2.gz QPUSPPMDTNINNT-QWHCGFSZSA-N 1 0 307.350 0.346 10 0 DCAERO CS[C@@H]1CN(C(=O)C[C@H]2CCCCNC2=O)C[C@H]1[NH+](C)C ZINC000374217960 396647915 /nfs/dbraw/zinc/64/79/15/396647915.db2.gz QLLJDCMCMKPKLU-JHJVBQTASA-N 1 0 313.467 0.797 10 0 DCAERO CC(=O)N1CCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536956900 396609806 /nfs/dbraw/zinc/60/98/06/396609806.db2.gz ANMJQEQYHUIVMX-ZIAGYGMSSA-N 1 0 311.426 0.470 10 0 DCAERO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560989857 396627220 /nfs/dbraw/zinc/62/72/20/396627220.db2.gz QIEVHJDZZAFURS-NSHDSACASA-N 1 0 303.366 0.729 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC000293843394 396636757 /nfs/dbraw/zinc/63/67/57/396636757.db2.gz ICRIRHRIRAEZFI-UONOGXRCSA-N 1 0 315.377 0.665 10 0 DCAERO Cc1ccn(-c2ccc(NC[C@H](O)CN3CCOCC3)nn2)n1 ZINC000301747823 396717710 /nfs/dbraw/zinc/71/77/10/396717710.db2.gz ZMZPUYJXRCJSJO-ZDUSSCGKSA-N 1 0 318.381 0.076 10 0 DCAERO c1nc(N2CCOCC2)cc(N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000302916634 396724417 /nfs/dbraw/zinc/72/44/17/396724417.db2.gz WHFOOZQQKKGLAP-UHFFFAOYSA-N 1 0 303.410 0.988 10 0 DCAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312943464 396767442 /nfs/dbraw/zinc/76/74/42/396767442.db2.gz GSUVVPGOSDPJOW-KGLIPLIRSA-N 1 0 304.456 0.893 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1 ZINC000629590363 396801348 /nfs/dbraw/zinc/80/13/48/396801348.db2.gz WVHIWUKHJZFWQU-HYVNUMGLSA-N 1 0 323.389 0.758 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2COCCN2C)c1 ZINC000629599599 396804693 /nfs/dbraw/zinc/80/46/93/396804693.db2.gz JVVNOWBUMPMSJQ-HZPDHXFCSA-N 1 0 322.405 0.549 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2cncc(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630363332 396995145 /nfs/dbraw/zinc/99/51/45/396995145.db2.gz YTAVGVHTBRGJCN-ZYHUDNBSSA-N 1 0 303.359 0.348 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H]1[NH+](C)C ZINC000573234333 397147548 /nfs/dbraw/zinc/14/75/48/397147548.db2.gz KQMNFOHOQNIRDG-MBJXGIAVSA-N 1 0 323.437 0.325 10 0 DCAERO c1c(CNC[C@H]2CC[N@@H+](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631040804 397159969 /nfs/dbraw/zinc/15/99/69/397159969.db2.gz VJHVKNWEUYUBSV-ZIAGYGMSSA-N 1 0 305.426 0.889 10 0 DCAERO O=C(N1CCO[C@H](Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC000377897956 397161109 /nfs/dbraw/zinc/16/11/09/397161109.db2.gz LVJZOXYGYIPZQB-AWEZNQCLSA-N 1 0 304.394 0.739 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000382453042 397274168 /nfs/dbraw/zinc/27/41/68/397274168.db2.gz GYPIXAFYOHBGCY-ZYHUDNBSSA-N 1 0 312.391 0.879 10 0 DCAERO CCN1CCO[C@@H](CN2CCN(Cc3n[nH]cc3C)CC2)C1 ZINC000365615582 397301217 /nfs/dbraw/zinc/30/12/17/397301217.db2.gz YMEDRIAEMFXSFN-OAHLLOKOSA-N 1 0 307.442 0.556 10 0 DCAERO COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000390752465 397301382 /nfs/dbraw/zinc/30/13/82/397301382.db2.gz ZJASQPMKZYTJAS-KBPBESRZSA-N 1 0 319.405 0.721 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000574829913 397303813 /nfs/dbraw/zinc/30/38/13/397303813.db2.gz KAYPSEZRCKPNRZ-UHFFFAOYSA-N 1 0 310.423 0.980 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599106530 397338101 /nfs/dbraw/zinc/33/81/01/397338101.db2.gz UNPYYAWDVFCBAH-DTWKUNHWSA-N 1 0 318.420 0.954 10 0 DCAERO C[C@@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000407968189 397340945 /nfs/dbraw/zinc/34/09/45/397340945.db2.gz FOBHQHBMZTWVCO-RDBSUJKOSA-N 1 0 310.442 0.979 10 0 DCAERO COC(=O)C(C)(C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602443246 397402721 /nfs/dbraw/zinc/40/27/21/397402721.db2.gz BKBQJHPPTPOPQO-CYBMUJFWSA-N 1 0 307.394 0.514 10 0 DCAERO C[N@H+](CCN1CCCC1=O)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000602958585 397533641 /nfs/dbraw/zinc/53/36/41/397533641.db2.gz BOUWRXUXQIEOPA-KGLIPLIRSA-N 1 0 300.399 0.097 10 0 DCAERO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371514 397637922 /nfs/dbraw/zinc/63/79/22/397637922.db2.gz UHKCQZREPPQCNO-CYBMUJFWSA-N 1 0 321.425 0.108 10 0 DCAERO COCC(=O)N1CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000606581424 397684094 /nfs/dbraw/zinc/68/40/94/397684094.db2.gz CIWXIYMIBAWLMA-UHFFFAOYSA-N 1 0 317.349 0.657 10 0 DCAERO NC(=O)C[C@@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000607728153 397705096 /nfs/dbraw/zinc/70/50/96/397705096.db2.gz JZKIYKMVVRUZNV-LBPRGKRZSA-N 1 0 322.409 0.581 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000607923010 397706914 /nfs/dbraw/zinc/70/69/14/397706914.db2.gz GJMIVYLQTKRWOM-GFCCVEGCSA-N 1 0 309.410 0.762 10 0 DCAERO COCC1(C(=O)NCC[S@](=O)C(C)(C)C)CC[NH2+]CC1 ZINC000262418105 292217630 /nfs/dbraw/zinc/21/76/30/292217630.db2.gz UJXWNFPNNBGQOG-FQEVSTJZSA-N 1 0 304.456 0.666 10 0 DCAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C ZINC000186720241 286304418 /nfs/dbraw/zinc/30/44/18/286304418.db2.gz VTOSHPWZWFBKGK-BDJLRTHQSA-N 1 0 313.442 0.892 10 0 DCAERO CS(=O)(=O)C[C@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333746467 286602273 /nfs/dbraw/zinc/60/22/73/286602273.db2.gz YISWBKGIGPOYTM-QWHCGFSZSA-N 1 0 317.455 0.737 10 0 DCAERO CCN(C(=O)NC[C@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000046280425 158001608 /nfs/dbraw/zinc/00/16/08/158001608.db2.gz UPQYNDXDRHKPPD-QWHCGFSZSA-N 1 0 319.471 0.935 10 0 DCAERO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443277 158039383 /nfs/dbraw/zinc/03/93/83/158039383.db2.gz WMVLKZLPTWIVNU-SNVBAGLBSA-N 1 0 316.365 0.492 10 0 DCAERO CCCCNC(=O)NC(=O)CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075962906 158063603 /nfs/dbraw/zinc/06/36/03/158063603.db2.gz MZZZXPKQKXQPMT-ZDUSSCGKSA-N 1 0 314.430 0.001 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCn3ccnc3)CC2)CCO1 ZINC000079573613 158078338 /nfs/dbraw/zinc/07/83/38/158078338.db2.gz ROQPUHCAQNHDOM-CQSZACIVSA-N 1 0 321.425 0.778 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000097174560 158125859 /nfs/dbraw/zinc/12/58/59/158125859.db2.gz DEILFHYHIBLOID-HUUCEWRRSA-N 1 0 312.458 0.738 10 0 DCAERO CNC(=O)C1(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000106284291 158133193 /nfs/dbraw/zinc/13/31/93/158133193.db2.gz QXXXAXODGUNFEH-GFCCVEGCSA-N 1 0 309.410 0.224 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000113233615 158145558 /nfs/dbraw/zinc/14/55/58/158145558.db2.gz MJJTVCBEMDMTOT-WDEREUQCSA-N 1 0 308.382 0.012 10 0 DCAERO C[C@H](C(=O)N1CCCC[C@H]1CN1CCOCC1)n1cncn1 ZINC000113448299 158147189 /nfs/dbraw/zinc/14/71/89/158147189.db2.gz ONXWDTWKJLCLRT-KGLIPLIRSA-N 1 0 307.398 0.552 10 0 DCAERO C[NH+](C)CCCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000114675004 158156030 /nfs/dbraw/zinc/15/60/30/158156030.db2.gz GWBGYRHIOQAHCC-UHFFFAOYSA-N 1 0 308.773 0.997 10 0 DCAERO CCc1nc2n(n1)C[C@H](NC(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000114959311 158160285 /nfs/dbraw/zinc/16/02/85/158160285.db2.gz NRVMZQKGLOCYRO-CYBMUJFWSA-N 1 0 320.441 0.796 10 0 DCAERO CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118105220 158176035 /nfs/dbraw/zinc/17/60/35/158176035.db2.gz XRKWTAZXDXBQOK-LBPRGKRZSA-N 1 0 304.394 0.902 10 0 DCAERO CN1CC[C@@H](N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000119549622 158188962 /nfs/dbraw/zinc/18/89/62/158188962.db2.gz RQPHGFREFOZJAP-VFSICIBPSA-N 1 0 306.454 0.460 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000120617263 158200821 /nfs/dbraw/zinc/20/08/21/158200821.db2.gz DVAZLWSWPYCKFC-ZDUSSCGKSA-N 1 0 306.366 0.118 10 0 DCAERO CN(C)CC[NH+]1CCC(CNC(=O)CCc2ccnn2C)CC1 ZINC000121631183 158212783 /nfs/dbraw/zinc/21/27/83/158212783.db2.gz XTQZZYPHJQYCMQ-UHFFFAOYSA-N 1 0 321.469 0.743 10 0 DCAERO C[C@@H]1C[C@H](N(C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123696366 158233113 /nfs/dbraw/zinc/23/31/13/158233113.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 1 0 324.469 0.530 10 0 DCAERO CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000124190884 158240020 /nfs/dbraw/zinc/24/00/20/158240020.db2.gz QIZNTKTZLYAIJV-HSMVNMDESA-N 1 0 324.425 0.648 10 0 DCAERO O=C(Nc1ccsc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000125580331 158256058 /nfs/dbraw/zinc/25/60/58/158256058.db2.gz ZRBQZLPFLHEIPX-GFCCVEGCSA-N 1 0 309.391 0.620 10 0 DCAERO O=C1CNC(=O)N1CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127819074 158276598 /nfs/dbraw/zinc/27/65/98/158276598.db2.gz TUNQQKJZBKFOHQ-OLZOCXBDSA-N 1 0 305.382 0.898 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000127924461 158277396 /nfs/dbraw/zinc/27/73/96/158277396.db2.gz LBWLUUSWVJQZFW-CQSZACIVSA-N 1 0 303.362 0.818 10 0 DCAERO CC[C@@H]1CN(C(=O)CCCC(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000131614818 158304284 /nfs/dbraw/zinc/30/42/84/158304284.db2.gz UWYIXUBWYAZTPY-CHWSQXEVSA-N 1 0 300.399 0.633 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000132356257 158310265 /nfs/dbraw/zinc/31/02/65/158310265.db2.gz SYKSEWJXXPBANQ-JQWIXIFHSA-N 1 0 311.407 0.404 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)COc2ccccc2)C1 ZINC000133743404 158321337 /nfs/dbraw/zinc/32/13/37/158321337.db2.gz KFAVOZGIJSFGTM-ZIAGYGMSSA-N 1 0 319.405 0.781 10 0 DCAERO COC(=O)c1cccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000133765585 158321374 /nfs/dbraw/zinc/32/13/74/158321374.db2.gz RWMMVQDOBIZXMC-CQSZACIVSA-N 1 0 312.391 0.879 10 0 DCAERO CCc1nnc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000158474152 158352910 /nfs/dbraw/zinc/35/29/10/158352910.db2.gz KGTHPJHWBFBYEM-CQSZACIVSA-N 1 0 306.458 0.969 10 0 DCAERO Cc1cc(=O)[nH]cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000164947085 158363687 /nfs/dbraw/zinc/36/36/87/158363687.db2.gz HOPDDMFRXUCCTO-STQMWFEESA-N 1 0 307.394 0.912 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])nc2n1 ZINC000261858627 158747042 /nfs/dbraw/zinc/74/70/42/158747042.db2.gz RETIHLGEHQBPAB-ZWNOBZJWSA-N 1 0 316.409 0.869 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)C(=O)N1c1ccccc1 ZINC000261936224 158755511 /nfs/dbraw/zinc/75/55/11/158755511.db2.gz WUEREMKEYRGYCH-GXTWGEPZSA-N 1 0 317.389 0.805 10 0 DCAERO CC1(C)CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC[C@@H]1[NH3+] ZINC000261951253 158757213 /nfs/dbraw/zinc/75/72/13/158757213.db2.gz YZNWNPJSHLSMPT-UWVGGRQHSA-N 1 0 321.343 0.983 10 0 DCAERO CCOC(=O)c1ccc(N(C)CC(=O)N2CC[NH2+]CC2)nc1 ZINC000261982494 158760939 /nfs/dbraw/zinc/76/09/39/158760939.db2.gz RQKHKEOQSSHGGP-UHFFFAOYSA-N 1 0 306.366 0.126 10 0 DCAERO C[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H]1C[NH3+] ZINC000262018729 158764705 /nfs/dbraw/zinc/76/47/05/158764705.db2.gz XDDZYCQLEJPCOO-SWLSCSKDSA-N 1 0 314.389 0.982 10 0 DCAERO [NH3+]CC1(C(=O)NCCNC(=O)CC2CCCC2)CCOCC1 ZINC000262035061 158766029 /nfs/dbraw/zinc/76/60/29/158766029.db2.gz XWUKRLMSZBCIPF-UHFFFAOYSA-N 1 0 311.426 0.555 10 0 DCAERO O=C(Cc1csc(-c2cccnc2)n1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262112731 158774177 /nfs/dbraw/zinc/77/41/77/158774177.db2.gz FKVLZACPPVCBMW-DGCLKSJQSA-N 1 0 318.402 0.444 10 0 DCAERO C/C=C/c1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262238834 158788053 /nfs/dbraw/zinc/78/80/53/158788053.db2.gz KTVRQMPPVHUGLB-LSMGEYOZSA-N 1 0 320.389 0.804 10 0 DCAERO CCc1ccc(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262233338 158788698 /nfs/dbraw/zinc/78/86/98/158788698.db2.gz KKNFAKSYAJRYSU-GDBMZVCRSA-N 1 0 304.390 0.908 10 0 DCAERO Cc1cc(Br)oc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262348267 158801537 /nfs/dbraw/zinc/80/15/37/158801537.db2.gz UGYHXMLRTBKDLQ-JGVFFNPUSA-N 1 0 303.156 0.661 10 0 DCAERO O=C(COc1ccccc1C(F)(F)F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262351467 158803068 /nfs/dbraw/zinc/80/30/68/158803068.db2.gz ULMMBHUTTDUEID-KOLCDFICSA-N 1 0 318.295 0.781 10 0 DCAERO CCC(=O)N(C)c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262409074 158810426 /nfs/dbraw/zinc/81/04/26/158810426.db2.gz ZBDMQDRKOXGQAX-FZMZJTMJSA-N 1 0 305.378 0.370 10 0 DCAERO O=C(NC[C@H](O)c1cc2ccccc2s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262542117 158822745 /nfs/dbraw/zinc/82/27/45/158822745.db2.gz RHOQPIXUVGHYRV-UTUOFQBUSA-N 1 0 306.387 0.774 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2CCCC[C@@H]2O)nnn1C1CC[NH2+]CC1 ZINC000262620125 158830317 /nfs/dbraw/zinc/83/03/17/158830317.db2.gz FXXBMNWVXFWBQS-JSGCOSHPSA-N 1 0 321.425 0.792 10 0 DCAERO COc1cc(NC(=O)[C@H]2CC[NH2+]C2)c(C(=O)N(C)C)cc1OC ZINC000262654302 158832380 /nfs/dbraw/zinc/83/23/80/158832380.db2.gz YIXDGNBKHJYCJE-JTQLQIEISA-N 1 0 321.377 0.954 10 0 DCAERO CN1C(=O)c2ccc(S(=O)(=O)N3CCC[C@H]3C[NH3+])cc2C1=O ZINC000262726912 158836439 /nfs/dbraw/zinc/83/64/39/158836439.db2.gz BKLIORYPRFTRHG-VIFPVBQESA-N 1 0 323.374 0.024 10 0 DCAERO Cc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)nc(C)n1 ZINC000328703371 159022355 /nfs/dbraw/zinc/02/23/55/159022355.db2.gz KDBKMFAJSUWCRP-UHFFFAOYSA-N 1 0 305.426 0.849 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000328920480 159041566 /nfs/dbraw/zinc/04/15/66/159041566.db2.gz BCLSVFIZCLENTK-RDBSUJKOSA-N 1 0 324.425 0.165 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3n[nH]nc3C2)[N@H+](C)C1 ZINC000329104815 159062147 /nfs/dbraw/zinc/06/21/47/159062147.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 0 307.398 0.087 10 0 DCAERO O=S(=O)(NC1CCCC1)C1CN(CC2CCOCC2)C1 ZINC000329331781 159083015 /nfs/dbraw/zinc/08/30/15/159083015.db2.gz ZRVMTIOIXSUBED-UHFFFAOYSA-N 1 0 302.440 0.959 10 0 DCAERO CO[C@@]1(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCOC1 ZINC000329945227 159131542 /nfs/dbraw/zinc/13/15/42/159131542.db2.gz IWDXZMFXZHHVEC-CJNGLKHVSA-N 1 0 312.410 0.504 10 0 DCAERO O=C([C@H]1CCN1Cc1ccccc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000330005386 159135480 /nfs/dbraw/zinc/13/54/80/159135480.db2.gz BWJQAZAIZHGPFX-LSDHHAIUSA-N 1 0 314.389 0.701 10 0 DCAERO C[C@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)N1CCOCC1 ZINC000330186611 159148870 /nfs/dbraw/zinc/14/88/70/159148870.db2.gz SEFGQMMLCZESCW-ZBFHGGJFSA-N 1 0 319.405 0.920 10 0 DCAERO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc[nH]c(=O)c2C1 ZINC000330299923 159157331 /nfs/dbraw/zinc/15/73/31/159157331.db2.gz IFTPIWITPGTDKI-AWEZNQCLSA-N 1 0 302.378 0.062 10 0 DCAERO C[C@@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)N1CC[NH+](C)CC1 ZINC000332736114 159211717 /nfs/dbraw/zinc/21/17/17/159211717.db2.gz WTEJLWDHMBSHMH-KBPBESRZSA-N 1 0 310.442 0.187 10 0 DCAERO Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367169272 159318672 /nfs/dbraw/zinc/31/86/72/159318672.db2.gz CLVLMFOGQNFVRO-NEPJUHHUSA-N 1 0 300.355 0.495 10 0 DCAERO CCCC[NH+]1CCC([C@@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000371097543 159545441 /nfs/dbraw/zinc/54/54/41/159545441.db2.gz FYPBHUOALWCYNR-CQSZACIVSA-N 1 0 309.410 0.630 10 0 DCAERO CCC[NH+]1CCC(NC(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000407974222 160000659 /nfs/dbraw/zinc/00/06/59/160000659.db2.gz SAWZGVVRRYXDHO-UHFFFAOYSA-N 1 0 308.426 0.877 10 0 DCAERO Cc1cc([C@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)[nH]n1 ZINC000407982092 160002811 /nfs/dbraw/zinc/00/28/11/160002811.db2.gz XEHUCQGFCBNAQK-HOCLYGCPSA-N 1 0 317.437 0.814 10 0 DCAERO CCCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408027777 160015867 /nfs/dbraw/zinc/01/58/67/160015867.db2.gz MORAIXGEXJYRBK-QWHCGFSZSA-N 1 0 305.444 0.368 10 0 DCAERO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408034108 160017711 /nfs/dbraw/zinc/01/77/11/160017711.db2.gz QZUFMHMKIRJOLS-PMPSAXMXSA-N 1 0 317.437 0.873 10 0 DCAERO CN(C)C(=O)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000408036537 160018594 /nfs/dbraw/zinc/01/85/94/160018594.db2.gz TXXKWNWOBXFFMF-KGLIPLIRSA-N 1 0 311.426 0.349 10 0 DCAERO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408038837 160019611 /nfs/dbraw/zinc/01/96/11/160019611.db2.gz PQSXQLPVXNQNOT-MRXNPFEDSA-N 1 0 306.410 0.976 10 0 DCAERO Cc1cnn(CC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000408038916 160019708 /nfs/dbraw/zinc/01/97/08/160019708.db2.gz RLSWIHCBNCFTQQ-AWEZNQCLSA-N 1 0 306.410 0.903 10 0 DCAERO C[C@@H]1CCCCN1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000408096519 160034940 /nfs/dbraw/zinc/03/49/40/160034940.db2.gz DJVJYEYKHNQIPT-CYBMUJFWSA-N 1 0 319.471 0.494 10 0 DCAERO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)cccc1S(N)(=O)=O ZINC000408162619 160050640 /nfs/dbraw/zinc/05/06/40/160050640.db2.gz XZUWNILXVADDSO-UHFFFAOYSA-N 1 0 323.418 0.563 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408219104 160062346 /nfs/dbraw/zinc/06/23/46/160062346.db2.gz XSRZLIWVRJHBTG-INIZCTEOSA-N 1 0 302.378 0.890 10 0 DCAERO CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000408273951 160073765 /nfs/dbraw/zinc/07/37/65/160073765.db2.gz UWPFEQXNXOHRHQ-MELADBBJSA-N 1 0 311.426 0.470 10 0 DCAERO CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000408357245 160091526 /nfs/dbraw/zinc/09/15/26/160091526.db2.gz JVZAWDGAYHVTMS-GXTWGEPZSA-N 1 0 319.409 0.561 10 0 DCAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CO)C1 ZINC000408378890 160095238 /nfs/dbraw/zinc/09/52/38/160095238.db2.gz HOCLSGBMHXCNTN-LJISPDSOSA-N 1 0 313.442 0.756 10 0 DCAERO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@@H](CO)C2)([NH+](C)C)C1 ZINC000408380257 160095722 /nfs/dbraw/zinc/09/57/22/160095722.db2.gz WGUHQSMCVOHOAZ-FMKPAKJESA-N 1 0 313.442 0.900 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000408386337 160097513 /nfs/dbraw/zinc/09/75/13/160097513.db2.gz OTVDXTLEXOIXCB-VIFPVBQESA-N 1 0 306.819 0.646 10 0 DCAERO CNS(=O)(=O)N1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000408456755 160112935 /nfs/dbraw/zinc/11/29/35/160112935.db2.gz LAECKBDNDRKEAX-CQSZACIVSA-N 1 0 323.462 0.873 10 0 DCAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000044288327 286886497 /nfs/dbraw/zinc/88/64/97/286886497.db2.gz GPOOZKSGYMIBOF-SNVBAGLBSA-N 1 0 300.380 0.938 10 0 DCAERO CCC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000134101323 287014866 /nfs/dbraw/zinc/01/48/66/287014866.db2.gz SVOFHCGAOKVCCP-OAHLLOKOSA-N 1 0 324.469 0.483 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000136670061 287026704 /nfs/dbraw/zinc/02/67/04/287026704.db2.gz XUGRGVGTIOMGOE-WXRRBKDZSA-N 1 0 317.455 0.593 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139627368 287029684 /nfs/dbraw/zinc/02/96/84/287029684.db2.gz SVYFUXFUZRHEDW-LBPRGKRZSA-N 1 0 320.459 0.051 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000153397717 287049771 /nfs/dbraw/zinc/04/97/71/287049771.db2.gz XAVOMJGUZDUOBL-UHFFFAOYSA-N 1 0 307.398 0.690 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000178951577 287055290 /nfs/dbraw/zinc/05/52/90/287055290.db2.gz WINXVUGOEDGMEW-UHFFFAOYSA-N 1 0 312.391 0.846 10 0 DCAERO CN(C)c1noc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000192754004 287059845 /nfs/dbraw/zinc/05/98/45/287059845.db2.gz XUIANNYQTSOPPD-UHFFFAOYSA-N 1 0 324.429 0.025 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069062 /nfs/dbraw/zinc/06/90/62/287069062.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 1 0 312.458 0.241 10 0 DCAERO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000247400837 287093719 /nfs/dbraw/zinc/09/37/19/287093719.db2.gz XEPVNKMPGQNYIP-ZIAGYGMSSA-N 1 0 303.472 0.684 10 0 DCAERO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000247001277 287090010 /nfs/dbraw/zinc/09/00/10/287090010.db2.gz WXJWTHYGDQKWTM-MSOLQXFVSA-N 1 0 322.449 0.953 10 0 DCAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@H]1C ZINC000251640107 287119474 /nfs/dbraw/zinc/11/94/74/287119474.db2.gz HDGAGTGXOMILKS-UMVBOHGHSA-N 1 0 311.426 0.422 10 0 DCAERO COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000375887502 287228476 /nfs/dbraw/zinc/22/84/76/287228476.db2.gz JFDHZJCAHCCYRL-MGPQQGTHSA-N 1 0 310.394 0.366 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000245416086 287229790 /nfs/dbraw/zinc/22/97/90/287229790.db2.gz DWPAJOHVOAETKH-MJBXVCDLSA-N 1 0 310.442 0.138 10 0 DCAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000399344887 287230720 /nfs/dbraw/zinc/23/07/20/287230720.db2.gz VLYMDLNVMYFIBA-AGIUHOORSA-N 1 0 318.373 0.489 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000246601745 287230283 /nfs/dbraw/zinc/23/02/83/287230283.db2.gz ZPIDZIJUPDHNKF-UPJWGTAASA-N 1 0 318.439 0.684 10 0 DCAERO 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10 0 DCAERO CC[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)CC[N@@H+]1C[C@@H](C)O ZINC000183827148 416249446 /nfs/dbraw/zinc/24/94/46/416249446.db2.gz HKKYSNYKSZCIBM-VXGBXAGGSA-N 1 0 323.397 0.089 10 0 DCAERO COCCN1C[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186523204 416257257 /nfs/dbraw/zinc/25/72/57/416257257.db2.gz KVRNMIPHZIINJT-QWHCGFSZSA-N 1 0 309.410 0.224 10 0 DCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186817116 416259437 /nfs/dbraw/zinc/25/94/37/416259437.db2.gz KRUIKWVYEYMKLP-ZDUSSCGKSA-N 1 0 312.410 0.635 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183171005 416236873 /nfs/dbraw/zinc/23/68/73/416236873.db2.gz UYGSWLLXCQNMOU-AVGNSLFASA-N 1 0 300.399 0.847 10 0 DCAERO Cn1ccc(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000183349934 416239874 /nfs/dbraw/zinc/23/98/74/416239874.db2.gz HTUOGXXXUZVTEP-UHFFFAOYSA-N 1 0 319.453 0.637 10 0 DCAERO COCCCS(=O)(=O)NCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191156023 416284507 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Cn1cnc2c(c1=O)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC000328628165 294462433 /nfs/dbraw/zinc/46/24/33/294462433.db2.gz NKYUEKWSMFGJED-HNNXBMFYSA-N 1 0 316.405 0.539 10 0 DCAERO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000408234202 297157339 /nfs/dbraw/zinc/15/73/39/297157339.db2.gz CUCUNQXVOQHYSN-OLZOCXBDSA-N 1 0 305.444 0.368 10 0 DCAERO C[C@H]1C[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C[N@@H+]1C1CC1 ZINC000582810914 337183183 /nfs/dbraw/zinc/18/31/83/337183183.db2.gz YWRNWBLYQUYOFM-STQMWFEESA-N 1 0 321.421 0.367 10 0 DCAERO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000178943929 341973057 /nfs/dbraw/zinc/97/30/57/341973057.db2.gz OGCILYQQBATVNQ-JTQLQIEISA-N 1 0 318.420 0.073 10 0 DCAERO CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000191490324 519649081 /nfs/dbraw/zinc/64/90/81/519649081.db2.gz SQGXLBCAZUSUDQ-INIZCTEOSA-N 1 0 301.390 0.998 10 0 DCAERO CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262475471 519783789 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ZINC000189849191 522571539 /nfs/dbraw/zinc/57/15/39/522571539.db2.gz WFCYIVUGBOTVFT-QWRGUYRKSA-N 1 0 317.401 0.361 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000246274605 522912266 /nfs/dbraw/zinc/91/22/66/522912266.db2.gz MAEOIHXVQOCKIE-RWMBFGLXSA-N 1 0 321.425 0.965 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccnc2)C1 ZINC000157201758 523993639 /nfs/dbraw/zinc/99/36/39/523993639.db2.gz UXWHTWBZMCRJKM-CABCVRRESA-N 1 0 316.405 0.754 10 0 DCAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000248862654 524217461 /nfs/dbraw/zinc/21/74/61/524217461.db2.gz BFZRDDYDDQJYSZ-AGIUHOORSA-N 1 0 311.426 0.646 10 0 DCAERO COc1ccc(N2C(=O)C[C@H](N3CC[NH2+]CC3)C2=O)c(OC)c1 ZINC000032500264 524391484 /nfs/dbraw/zinc/39/14/84/524391484.db2.gz DQTMMGWSZSCEPZ-ZDUSSCGKSA-N 1 0 319.361 0.241 10 0 DCAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccnc1 ZINC000158184147 524892831 /nfs/dbraw/zinc/89/28/31/524892831.db2.gz 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527659605 /nfs/dbraw/zinc/65/96/05/527659605.db2.gz NEFASLGJXQZGBF-UHFFFAOYSA-N 1 0 312.458 0.245 10 0 DCAERO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)N2CCCCC2)CC1 ZINC000161634451 528249535 /nfs/dbraw/zinc/24/95/35/528249535.db2.gz VDKDIRKQILOXME-AWEZNQCLSA-N 1 0 319.471 0.400 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(C(N)=O)co2)C1 ZINC000188708209 528252642 /nfs/dbraw/zinc/25/26/42/528252642.db2.gz GCLZVQAMCSFLOS-NSHDSACASA-N 1 0 308.382 0.910 10 0 DCAERO CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000246696556 529066982 /nfs/dbraw/zinc/06/69/82/529066982.db2.gz JGAQNMOLZGIOKK-UONOGXRCSA-N 1 0 308.426 0.875 10 0 DCAERO C[N@H+](CCC1CCOCC1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000120388877 536326016 /nfs/dbraw/zinc/32/60/16/536326016.db2.gz GAMYATLTJHCTEU-AWEZNQCLSA-N 1 0 311.426 0.459 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000078643759 545682949 /nfs/dbraw/zinc/68/29/49/545682949.db2.gz QOIMMAIPEGIBHH-BETUJISGSA-N 1 0 319.471 0.614 10 0 DCAERO CN1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000091662467 545717747 /nfs/dbraw/zinc/71/77/47/545717747.db2.gz UIYWQCZZOYQGNA-SNVBAGLBSA-N 1 0 303.359 0.017 10 0 DCAERO COC1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCOCC1 ZINC000126526668 545771359 /nfs/dbraw/zinc/77/13/59/545771359.db2.gz MBUWTIWIJGSDDQ-CQSZACIVSA-N 1 0 309.410 0.838 10 0 DCAERO CC(C)(C)n1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000178881270 545896851 /nfs/dbraw/zinc/89/68/51/545896851.db2.gz ORHNWNSIJAJSCK-CYBMUJFWSA-N 1 0 319.409 0.883 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)C(C)C ZINC000183683338 545909650 /nfs/dbraw/zinc/90/96/50/545909650.db2.gz AGOTXVMZCYNPGD-CQSZACIVSA-N 1 0 309.435 0.993 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193399880 545931133 /nfs/dbraw/zinc/93/11/33/545931133.db2.gz SRDZJTPCDPCAKH-GBJTYRQASA-N 1 0 309.410 0.053 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251785528 545974092 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O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1csc(Nc2ccccn2)n1 ZINC000262243624 545982110 /nfs/dbraw/zinc/98/21/10/545982110.db2.gz LBSCTDAIZKVGIQ-ONGXEEELSA-N 1 0 319.390 0.592 10 0 DCAERO O=C(Cc1csc(-c2ccoc2)n1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262330274 545983364 /nfs/dbraw/zinc/98/33/64/545983364.db2.gz SDYIMTSSKYWFOD-JQWIXIFHSA-N 1 0 307.375 0.642 10 0 DCAERO C[C@H]1CN(S(=O)(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000329097694 546043314 /nfs/dbraw/zinc/04/33/14/546043314.db2.gz LSHBOSVOHBIEFU-STQMWFEESA-N 1 0 319.471 0.804 10 0 DCAERO O=C(NC[C@@H]1CCCC[C@H]1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333356936 546078822 /nfs/dbraw/zinc/07/88/22/546078822.db2.gz CDXZMHLUZNIOHL-OUCADQQQSA-N 1 0 307.398 0.484 10 0 DCAERO CN(Cc1nnnn1C)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000533847864 546290577 /nfs/dbraw/zinc/29/05/77/546290577.db2.gz GIDJDMUVIULEKR-ZDUSSCGKSA-N 1 0 315.381 0.538 10 0 DCAERO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000671492744 547225855 /nfs/dbraw/zinc/22/58/55/547225855.db2.gz IYCUTDUOEADUTC-HNNXBMFYSA-N 1 0 314.349 0.898 10 0 DCAERO CC(C)CNC(=O)NC[C@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675072518 547658885 /nfs/dbraw/zinc/65/88/85/547658885.db2.gz DLGWOCQPPPZROH-AAEUAGOBSA-N 1 0 303.428 0.108 10 0 DCAERO CC[NH2+][C@H](C(N)=O)[C@H](C)n1cc(I)cn1 ZINC000710700665 548749392 /nfs/dbraw/zinc/74/93/92/548749392.db2.gz FGEHSNOBKPVFHH-XPUUQOCRSA-N 1 0 322.150 0.512 10 0 DCAERO CCc1cc(=O)[nH]c(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1 ZINC000888094233 661161230 /nfs/dbraw/zinc/16/12/30/661161230.db2.gz GJJJXZILJRDECP-OLZOCXBDSA-N 1 0 317.397 0.323 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC000888095472 661166371 /nfs/dbraw/zinc/16/63/71/661166371.db2.gz YZUGHQGQILHHEH-RRCSTGOVSA-N 1 0 321.425 0.333 10 0 DCAERO C[N@@H+](CC(C)(CO)CO)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724072621 657936976 /nfs/dbraw/zinc/93/69/76/657936976.db2.gz JAMLWIGUOFYMRN-SECBINFHSA-N 1 0 309.275 0.858 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000262223262 658828432 /nfs/dbraw/zinc/82/84/32/658828432.db2.gz FUOSUFCQDQBZFL-CQSZACIVSA-N 1 0 305.378 0.793 10 0 DCAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120985040 658887890 /nfs/dbraw/zinc/88/78/90/658887890.db2.gz GPCJEVFHGASAEM-STQMWFEESA-N 1 0 302.382 0.550 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723663897 658897401 /nfs/dbraw/zinc/89/74/01/658897401.db2.gz GZLIIMICRRXQIL-DGAVXFQQSA-N 1 0 302.440 0.815 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000311126037 659404128 /nfs/dbraw/zinc/40/41/28/659404128.db2.gz PSPXBVSCCJYIMY-MRVPVSSYSA-N 1 0 316.203 0.792 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@H](C(F)F)C1 ZINC000194070524 659476962 /nfs/dbraw/zinc/47/69/62/659476962.db2.gz IDKPXMSQYMRIGR-LBPRGKRZSA-N 1 0 321.368 0.774 10 0 DCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000261609125 661320653 /nfs/dbraw/zinc/32/06/53/661320653.db2.gz DPABLHFIKVIONW-SNVBAGLBSA-N 1 0 311.407 0.482 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000261628529 661333593 /nfs/dbraw/zinc/33/35/93/661333593.db2.gz DLDQTQXXQPBANF-VIFPVBQESA-N 1 0 318.395 0.599 10 0 DCAERO CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000222648793 661625721 /nfs/dbraw/zinc/62/57/21/661625721.db2.gz RVYIVIXWCJOCKV-AWEZNQCLSA-N 1 0 304.394 0.595 10 0 DCAERO O=c1ccc(C(F)(F)F)nn1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178892621 661684752 /nfs/dbraw/zinc/68/47/52/661684752.db2.gz RFEDICVSBNMQSR-SNVBAGLBSA-N 1 0 302.300 1.000 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])ccc1F ZINC000178910717 661884315 /nfs/dbraw/zinc/88/43/15/661884315.db2.gz UVYMLOJUYMWHOV-MRVPVSSYSA-N 1 0 304.343 0.628 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000262241358 662213317 /nfs/dbraw/zinc/21/33/17/662213317.db2.gz HTMOTFPVZQIMCV-SMDDNHRTSA-N 1 0 305.378 0.964 10 0 DCAERO Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)n1 ZINC000900604696 663260160 /nfs/dbraw/zinc/26/01/60/663260160.db2.gz SUQPVMYHGPSVNM-IIAWOOMASA-N 1 0 321.425 0.514 10 0 DCAERO COCCC1(C(=O)N2CC[C@H](n3ccnn3)C2)CC[NH+](C)CC1 ZINC000911822438 664112797 /nfs/dbraw/zinc/11/27/97/664112797.db2.gz KJLSIDGLKPGTLV-AWEZNQCLSA-N 1 0 321.425 0.800 10 0 DCAERO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000912415001 664169027 /nfs/dbraw/zinc/16/90/27/664169027.db2.gz AWVRWXAKGBBCHQ-CVEARBPZSA-N 1 0 304.390 0.728 10 0 DCAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCN(CC(F)(F)F)CC1 ZINC000061948600 664612580 /nfs/dbraw/zinc/61/25/80/664612580.db2.gz YGYYKETUQKSZBD-SNVBAGLBSA-N 1 0 315.361 0.248 10 0 DCAERO C[NH+](C)C[C@H]1CN(CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000172501983 664622154 /nfs/dbraw/zinc/62/21/54/664622154.db2.gz JZVOGBCOCGTJTP-ZDUSSCGKSA-N 1 0 324.425 0.461 10 0 DCAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000063168120 664626484 /nfs/dbraw/zinc/62/64/84/664626484.db2.gz QEPTXPBHQQTGBQ-GFCCVEGCSA-N 1 0 300.428 0.800 10 0 DCAERO COCCn1cnn(CN2CCO[C@H](C[NH+](C)C)C2)c1=S ZINC000152966248 664779614 /nfs/dbraw/zinc/77/96/14/664779614.db2.gz YJXXMZRDQJBHHO-GFCCVEGCSA-N 1 0 315.443 0.280 10 0 DCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c2cnn(C(C)C)c2n1 ZINC000262224905 664788080 /nfs/dbraw/zinc/78/80/80/664788080.db2.gz JTVFFHFPLUDMKF-FZMZJTMJSA-N 1 0 317.393 0.631 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000357484998 666183896 /nfs/dbraw/zinc/18/38/96/666183896.db2.gz LWVIIPVAOZMRFD-UHFFFAOYSA-N 1 0 316.409 0.634 10 0 DCAERO [NH3+][C@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1 ZINC000320788591 666224728 /nfs/dbraw/zinc/22/47/28/666224728.db2.gz SPVLTKUBTFOLSN-MRXNPFEDSA-N 1 0 311.385 0.989 10 0 DCAERO CCOC(=O)[C@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000184875060 666297183 /nfs/dbraw/zinc/29/71/83/666297183.db2.gz SUPHVAZSORCKDD-CZUORRHYSA-N 1 0 309.410 0.526 10 0 DCAERO O=S(=O)(c1ccccc1NC[C@H]1C[NH2+]C[C@H]1O)C(F)F ZINC000702858791 667005684 /nfs/dbraw/zinc/00/56/84/667005684.db2.gz JEDHWFZZOOPBJT-PSASIEDQSA-N 1 0 306.334 0.675 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1n1ccnn1 ZINC000862939904 667098106 /nfs/dbraw/zinc/09/81/06/667098106.db2.gz IYPMMWRYWQQUMN-KGLIPLIRSA-N 1 0 303.366 0.817 10 0 DCAERO CC[S@@](=O)CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000736659218 667214017 /nfs/dbraw/zinc/21/40/17/667214017.db2.gz MQTIKNUQXLGUKN-HXUWFJFHSA-N 1 0 305.444 0.165 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000077287095 667305594 /nfs/dbraw/zinc/30/55/94/667305594.db2.gz ZTLAXQWVPDOBBD-INIZCTEOSA-N 1 0 316.405 0.663 10 0 DCAERO [NH3+]CC1(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000705549849 667343540 /nfs/dbraw/zinc/34/35/40/667343540.db2.gz RVEULJSZHUXIIW-LLVKDONJSA-N 1 0 320.480 0.685 10 0 DCAERO CO[C@]1(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCOC1 ZINC000705575032 667350578 /nfs/dbraw/zinc/35/05/78/667350578.db2.gz CBIVDDUUFRMGJU-FZMZJTMJSA-N 1 0 302.371 0.932 10 0 DCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705667195 667364545 /nfs/dbraw/zinc/36/45/45/667364545.db2.gz JTOQIFLQWRQALZ-RNJOBUHISA-N 1 0 300.399 0.981 10 0 DCAERO O=C1[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CCN1C1CCC1 ZINC000708943002 667443885 /nfs/dbraw/zinc/44/38/85/667443885.db2.gz QWKNHVMEZGGESB-ZDUSSCGKSA-N 1 0 300.424 0.554 10 0 DCAERO COC[C@]1(C(=O)N[C@H]2CCC[C@H](SC)C2)C[NH2+]CCO1 ZINC000710739533 667446009 /nfs/dbraw/zinc/44/60/09/667446009.db2.gz CZNBLLWALZRWTO-OBJOEFQTSA-N 1 0 302.440 0.782 10 0 DCAERO C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711051272 667448841 /nfs/dbraw/zinc/44/88/41/667448841.db2.gz SHRGGDBTOHEQNL-ZYHUDNBSSA-N 1 0 311.386 0.919 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711906080 667550697 /nfs/dbraw/zinc/55/06/97/667550697.db2.gz GGCNNXAUCRGHJM-IHRRRGAJSA-N 1 0 302.440 0.815 10 0 DCAERO CC(C)Cn1cc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000886044969 667726392 /nfs/dbraw/zinc/72/63/92/667726392.db2.gz SWFOACXUEIJILV-OAHLLOKOSA-N 1 0 304.398 0.768 10 0 DCAERO Cc1noc(C[C@@]2(O)CCC[N@@H+](CCc3cncn3C)C2)n1 ZINC000886079712 667729609 /nfs/dbraw/zinc/72/96/09/667729609.db2.gz WSFCEDMFTNJTKD-HNNXBMFYSA-N 1 0 305.382 0.724 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000218915436 667750495 /nfs/dbraw/zinc/75/04/95/667750495.db2.gz QTBSXIUMYIAJTM-RWMBFGLXSA-N 1 0 317.455 0.292 10 0 DCAERO Cc1cc(N2CC[NH+](CCC3OCCO3)CC2)n2ncnc2n1 ZINC000124159808 667913435 /nfs/dbraw/zinc/91/34/35/667913435.db2.gz LFWQFDWDTBQDSM-UHFFFAOYSA-N 1 0 318.381 0.318 10 0 DCAERO Cn1cc(C[NH2+]C[C@@H]2COCCN2C)c(Br)n1 ZINC000712474246 670149620 /nfs/dbraw/zinc/14/96/20/670149620.db2.gz AKWWFZIVADPXMM-SNVBAGLBSA-N 1 0 303.204 0.603 10 0 DCAERO C[C@]1(C(F)(F)F)CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712798653 670150945 /nfs/dbraw/zinc/15/09/45/670150945.db2.gz YKSRRXGLWCKSGY-NXEZZACHSA-N 1 0 316.345 0.721 10 0 DCAERO COCC1CC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000713995415 670173321 /nfs/dbraw/zinc/17/33/21/670173321.db2.gz IBAFDWJSGYLYSC-GPANFISMSA-N 1 0 305.422 0.987 10 0 DCAERO COc1ccc(S(=O)(=O)NCC2CC([NH3+])C2)cc1OC ZINC000715086848 670203484 /nfs/dbraw/zinc/20/34/84/670203484.db2.gz ZBMDUUOLQASGPX-UHFFFAOYSA-N 1 0 300.380 0.719 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC(S(C)(=O)=O)C2)CO1 ZINC000715295554 670207306 /nfs/dbraw/zinc/20/73/06/670207306.db2.gz QPIYRCIZISDTGK-HSOILSAZSA-N 1 0 320.411 0.703 10 0 DCAERO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC[C@@H](C)[NH3+])CC2 ZINC000193268856 670260858 /nfs/dbraw/zinc/26/08/58/670260858.db2.gz VLTFXLSDKCJUEX-SNVBAGLBSA-N 1 0 311.407 0.611 10 0 DCAERO CC(C)C[NH+]1CCC2(CC(=O)O[C@H]2CS(N)(=O)=O)CC1 ZINC000757228925 670360547 /nfs/dbraw/zinc/36/05/47/670360547.db2.gz YOTZINFVAHJKTR-NSHDSACASA-N 1 0 304.412 0.329 10 0 DCAERO CS(=O)(=O)N[C@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190204154 670394054 /nfs/dbraw/zinc/39/40/54/670394054.db2.gz CSFQPFKWQOLGIF-ZDUSSCGKSA-N 1 0 318.439 0.543 10 0 DCAERO COCC[N@@H+]1CCN(Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000117321799 671192987 /nfs/dbraw/zinc/19/29/87/671192987.db2.gz ZVMWWMLHSMOFBV-ZDUSSCGKSA-N 1 0 305.382 0.106 10 0 DCAERO CC[C@H]1CN(CN2C(=O)CC(C)(C)C2=O)CC[N@@H+]1CCOC ZINC000117324048 671193015 /nfs/dbraw/zinc/19/30/15/671193015.db2.gz LIWGIGIGCLKOEH-ZDUSSCGKSA-N 1 0 311.426 0.772 10 0 DCAERO CCOC(=O)c1cn(CN2CC[N@H+](CCOC)[C@H](C)C2)nc1C ZINC000117322439 671193039 /nfs/dbraw/zinc/19/30/39/671193039.db2.gz ZXAAWLMXFHLIST-CYBMUJFWSA-N 1 0 324.425 0.978 10 0 DCAERO Cn1ncc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397492181 685272520 /nfs/dbraw/zinc/27/25/20/685272520.db2.gz ADSOBRNKXDKMCO-UHFFFAOYSA-N 1 0 315.421 0.932 10 0 DCAERO CS(=O)(=O)C1CC([NH2+][C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000718389251 685304321 /nfs/dbraw/zinc/30/43/21/685304321.db2.gz CAIBMYJTRGUWBF-FIYWTHMPSA-N 1 0 304.481 0.731 10 0 DCAERO CCOCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720806071 685315343 /nfs/dbraw/zinc/31/53/43/685315343.db2.gz OEFYQLIVBNZWOQ-BDAKNGLRSA-N 1 0 304.334 0.422 10 0 DCAERO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720845360 685315478 /nfs/dbraw/zinc/31/54/78/685315478.db2.gz MBOXSYMNWGVBBJ-FSDSQADBSA-N 1 0 307.238 0.875 10 0 DCAERO C[C@@H]1[C@H](NC(=O)c2c(Br)nnn2C)CC[N@@H+]1C ZINC000719386060 685310077 /nfs/dbraw/zinc/31/00/77/685310077.db2.gz RJFUABJAQPMWIP-RNFRBKRXSA-N 1 0 302.176 0.400 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000720880281 685316354 /nfs/dbraw/zinc/31/63/54/685316354.db2.gz FTLVNVMQRMFBPV-DJLDLDEBSA-N 1 0 302.318 0.317 10 0 DCAERO CC(C)(O)[C@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000719642119 685311210 /nfs/dbraw/zinc/31/12/10/685311210.db2.gz MKQPENHZKQXAIR-OLZOCXBDSA-N 1 0 304.456 0.751 10 0 DCAERO [NH3+]C1(C(=O)NCCOC(F)(F)C(F)(F)F)CCOCC1 ZINC000720309847 685312229 /nfs/dbraw/zinc/31/22/29/685312229.db2.gz PSEWGVFMVVXZCI-UHFFFAOYSA-N 1 0 306.231 0.782 10 0 DCAERO CSC1CCC(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000720589655 685314647 /nfs/dbraw/zinc/31/46/47/685314647.db2.gz BUUGSODBQFAEHW-OTTFEQOBSA-N 1 0 322.496 0.816 10 0 DCAERO CN(C[C@H]1CN(C)CCO1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000899160848 685444458 /nfs/dbraw/zinc/44/44/58/685444458.db2.gz SEDOFKKTFUMSOO-DOMZBBRYSA-N 1 0 321.425 0.579 10 0 DCAERO COCC[N@@H+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@H]1C ZINC000246896730 685167757 /nfs/dbraw/zinc/16/77/57/685167757.db2.gz ADNMLZVOHNZPTB-RBSFLKMASA-N 1 0 321.421 0.548 10 0 DCAERO C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000247058003 685169850 /nfs/dbraw/zinc/16/98/50/685169850.db2.gz HDQUANJALIJSFX-UONOGXRCSA-N 1 0 309.410 0.383 10 0 DCAERO OCC[N@@H+]1CCCN(c2cnc(Br)cn2)CC1 ZINC000304547307 685210972 /nfs/dbraw/zinc/21/09/72/685210972.db2.gz FCULVFWZCFUQOZ-UHFFFAOYSA-N 1 0 301.188 0.744 10 0 DCAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000380817740 685237823 /nfs/dbraw/zinc/23/78/23/685237823.db2.gz DYRAGDROTJWZKE-MWLCHTKSSA-N 1 0 303.384 0.260 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cnc(N)nc1 ZINC000050633990 1171735820 /nfs/dbraw/zinc/73/58/20/1171735820.db2.gz XMRNMHSGTBPTLJ-NSHDSACASA-N 1 0 313.427 0.602 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000233808782 1180561752 /nfs/dbraw/zinc/56/17/52/1180561752.db2.gz QRJARMXSWQWPFP-AGIUHOORSA-N 1 0 302.440 0.848 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237015255 1180775914 /nfs/dbraw/zinc/77/59/14/1180775914.db2.gz GWUQTIVMDBMIOJ-UHFFFAOYSA-N 1 0 319.471 0.697 10 0 DCAERO C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)C(=O)N1CCOCC1 ZINC000262572221 1185169556 /nfs/dbraw/zinc/16/95/56/1185169556.db2.gz XMWNFHYHKNZGAH-TZMCWYRMSA-N 1 0 311.426 0.648 10 0 DCAERO Cn1cc(C(=O)N2CCc3n[nH]nc3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424165855 1190402740 /nfs/dbraw/zinc/40/27/40/1190402740.db2.gz BSFYXSPAABLUKY-JTQLQIEISA-N 1 0 315.381 0.204 10 0 DCAERO C[C@@H]1C[C@H](NCc2nnn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401679615 774062485 /nfs/dbraw/zinc/06/24/85/774062485.db2.gz QNFHFOPVVGSNFD-MNOVXSKESA-N 1 0 310.402 0.945 10 0 DCAERO O=S(=O)(C1C[NH2+]C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000405110724 774151015 /nfs/dbraw/zinc/15/10/15/774151015.db2.gz SDTRGTLHGLQODT-UHFFFAOYSA-N 1 0 315.826 0.764 10 0 DCAERO C[NH2+]C[C@H]1CCCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000250717596 776174361 /nfs/dbraw/zinc/17/43/61/776174361.db2.gz HJKPGPKYIZQTOD-ZIAGYGMSSA-N 1 0 303.472 0.732 10 0 DCAERO O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000095967031 295666596 /nfs/dbraw/zinc/66/65/96/295666596.db2.gz LDUNOOLMIWQQQG-ZDEQEGDKSA-N 1 0 300.424 0.601 10 0 DCAERO CC[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1noc(C)n1 ZINC000299744476 529581420 /nfs/dbraw/zinc/58/14/20/529581420.db2.gz SMSNJXMQFXLGJF-QWRGUYRKSA-N 1 0 319.369 0.775 10 0 DCAERO Cc1nn(C)c(C)c1[C@H]1[C@H](NC2CC[NH+](C)CC2)CC(=O)N1C ZINC000330199837 282265938 /nfs/dbraw/zinc/26/59/38/282265938.db2.gz VYGHFWQOABHSSO-RHSMWYFYSA-N 1 0 319.453 0.993 10 0 DCAERO CNC(=O)[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000178450165 529919462 /nfs/dbraw/zinc/91/94/62/529919462.db2.gz VJVCMXNHAFRCSI-GFCCVEGCSA-N 1 0 314.430 0.167 10 0 DCAERO CC1(C)C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC000279746815 215111149 /nfs/dbraw/zinc/11/11/49/215111149.db2.gz LADMKJBYTDGOPW-FZMZJTMJSA-N 1 0 318.373 0.346 10 0 DCAERO COC(=O)C(C)(C)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262518034 290862560 /nfs/dbraw/zinc/86/25/60/290862560.db2.gz NSORJJNFNMYHDM-GLKRBJQHSA-N 1 0 312.410 0.834 10 0 DCAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000084061081 192397684 /nfs/dbraw/zinc/39/76/84/192397684.db2.gz ZCGKQIJMHSZFEE-PWSUYJOCSA-N 1 0 311.407 0.605 10 0 DCAERO CC[C@@H](C)C[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000171952107 198013841 /nfs/dbraw/zinc/01/38/41/198013841.db2.gz HUSCWXCXLWEUAZ-GFCCVEGCSA-N 1 0 321.425 0.802 10 0 DCAERO CN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000248145005 283053927 /nfs/dbraw/zinc/05/39/27/283053927.db2.gz ZJQXRRCEYUVXMN-PMPSAXMXSA-N 1 0 303.406 0.879 10 0 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O=C(N[C@H]1CCCn2ncnc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176604092 284190934 /nfs/dbraw/zinc/19/09/34/284190934.db2.gz FBATVLDSUKQSQK-OLZOCXBDSA-N 1 0 304.398 0.993 10 0 DCAERO COC(=O)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCOCC1 ZINC000261739049 284277484 /nfs/dbraw/zinc/27/74/84/284277484.db2.gz LPTVZPWPKUQPLW-BFHYXJOUSA-N 1 0 312.410 0.836 10 0 DCAERO CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000190634223 284318154 /nfs/dbraw/zinc/31/81/54/284318154.db2.gz UQASCMJBYIQAQU-QWHCGFSZSA-N 1 0 314.430 0.263 10 0 DCAERO CCN(C)S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261707194 284359427 /nfs/dbraw/zinc/35/94/27/284359427.db2.gz MDTNDJGKMRAQKW-ZDUSSCGKSA-N 1 0 313.423 0.838 10 0 DCAERO COc1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)cc1OC ZINC000019985324 182173971 /nfs/dbraw/zinc/17/39/71/182173971.db2.gz CORXWTJCDGLSGT-JTQLQIEISA-N 1 0 302.396 0.904 10 0 DCAERO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C)s1 ZINC000022913190 182340439 /nfs/dbraw/zinc/34/04/39/182340439.db2.gz 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/nfs/dbraw/zinc/17/28/55/194172855.db2.gz CQWCETOPESJFST-AWEZNQCLSA-N 1 0 302.382 0.425 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000126660454 284800109 /nfs/dbraw/zinc/80/01/09/284800109.db2.gz CWZRCXASILXGAV-FRRDWIJNSA-N 1 0 319.471 0.934 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000173830426 284801632 /nfs/dbraw/zinc/80/16/32/284801632.db2.gz JZFWYBWANRIGHX-GFCCVEGCSA-N 1 0 321.425 0.578 10 0 DCAERO C[C@@H]([NH3+])c1ccccc1NS(=O)(=O)CCS(C)(=O)=O ZINC000063142814 184273763 /nfs/dbraw/zinc/27/37/63/184273763.db2.gz PALCAEBNTDAPMO-SECBINFHSA-N 1 0 306.409 0.493 10 0 DCAERO CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085791379 252587705 /nfs/dbraw/zinc/58/77/05/252587705.db2.gz JMGYDZIULBESTL-CYBMUJFWSA-N 1 0 314.455 0.914 10 0 DCAERO C[C@H](C(=O)N(C)C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119618675 195003751 /nfs/dbraw/zinc/00/37/51/195003751.db2.gz HCNVJLOHLRUROU-JZWPEALZSA-N 1 0 308.470 0.706 10 0 DCAERO C[C@H]1CCc2ccccc2N1C(=O)CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333874431 252771488 /nfs/dbraw/zinc/77/14/88/252771488.db2.gz SNVBRHOPBNUPDK-RCBQFDQVSA-N 1 0 303.406 0.619 10 0 DCAERO C[C@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)C1C[NH2+]C1 ZINC000164425412 220448611 /nfs/dbraw/zinc/44/86/11/220448611.db2.gz TURKFZGWVFIQPT-NSHDSACASA-N 1 0 307.419 0.888 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(C(N)=O)c2)[N@H+](C)C1 ZINC000346699734 254084925 /nfs/dbraw/zinc/08/49/25/254084925.db2.gz ODOVCGBGXDOMLF-KBPBESRZSA-N 1 0 305.378 0.577 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000176362372 285236327 /nfs/dbraw/zinc/23/63/27/285236327.db2.gz MVLHRJKIZCKXPU-QWHCGFSZSA-N 1 0 319.471 0.935 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000245470417 285271875 /nfs/dbraw/zinc/27/18/75/285271875.db2.gz MVLHRJKIZCKXPU-OLZOCXBDSA-N 1 0 319.471 0.935 10 0 DCAERO CC[NH+]1CCC(C(=O)N2Cc3ccnn3C[C@H](OC)C2)CC1 ZINC000249681600 257107115 /nfs/dbraw/zinc/10/71/15/257107115.db2.gz BSZDUEJWXULZNM-OAHLLOKOSA-N 1 0 306.410 0.972 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CC[N@H+](CC4CC4)C[C@@H]23)cn1 ZINC000248079526 257110034 /nfs/dbraw/zinc/11/00/34/257110034.db2.gz AAHWJISSLAPVMC-BMFZPTHFSA-N 1 0 318.421 0.897 10 0 DCAERO Cc1cc(CN2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)no1 ZINC000247951146 257113888 /nfs/dbraw/zinc/11/38/88/257113888.db2.gz YLPGBPSOBFJHGY-GOEBONIOSA-N 1 0 307.394 0.764 10 0 DCAERO CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccsc1)C2 ZINC000247553200 257118802 /nfs/dbraw/zinc/11/88/02/257118802.db2.gz WLLWSPXJWZACJT-QWHCGFSZSA-N 1 0 316.448 0.746 10 0 DCAERO CS(=O)(=O)NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000247500281 257118994 /nfs/dbraw/zinc/11/89/94/257118994.db2.gz FFBMBQQBZZHBDS-MCIONIFRSA-N 1 0 314.407 0.666 10 0 DCAERO O=C(NC[C@@]12COC[C@@H]1C[N@H+](CC1CC1)C2)c1ccnnc1 ZINC000247523572 257119213 /nfs/dbraw/zinc/11/92/13/257119213.db2.gz YMFPYHKVJNJIBV-GOEBONIOSA-N 1 0 302.378 0.565 10 0 DCAERO 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ZINC000177200720 396168736 /nfs/dbraw/zinc/16/87/36/396168736.db2.gz ORUCZXFDIACWEM-VHSXEESVSA-N 1 0 308.382 0.058 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262730946 396176810 /nfs/dbraw/zinc/17/68/10/396176810.db2.gz HYGRJJRCWHDLTO-RWMBFGLXSA-N 1 0 317.455 0.305 10 0 DCAERO O=C(NC1CCC2(CC1)OCCO2)c1[nH]nc2c1C[NH2+]CC2 ZINC000262750598 396178371 /nfs/dbraw/zinc/17/83/71/396178371.db2.gz BUYYHLHMMPBDBS-UHFFFAOYSA-N 1 0 306.366 0.471 10 0 DCAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(=O)n(C)c1 ZINC000177635902 396180521 /nfs/dbraw/zinc/18/05/21/396180521.db2.gz FIXVTHOSPZYQKV-CYBMUJFWSA-N 1 0 310.398 0.864 10 0 DCAERO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@H]1CCNC1=O ZINC000279594169 396185913 /nfs/dbraw/zinc/18/59/13/396185913.db2.gz DTOBNQVYIWGFNB-AVGNSLFASA-N 1 0 309.389 0.153 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)CCn2nc3ccccn3c2=O)CC[NH2+]1 ZINC000262959634 396194975 /nfs/dbraw/zinc/19/49/75/396194975.db2.gz WKCFXMVUWLEDFY-NEPJUHHUSA-N 1 0 303.366 0.143 10 0 DCAERO Cc1ccn(C[C@](C)(O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(=O)c1 ZINC000280376586 396196941 /nfs/dbraw/zinc/19/69/41/396196941.db2.gz DDVIYPKKAZRAAU-PBHICJAKSA-N 1 0 319.405 0.214 10 0 DCAERO CNC(=O)c1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cn1 ZINC000263169223 396204503 /nfs/dbraw/zinc/20/45/03/396204503.db2.gz FNSYFAAEPWLSHZ-NSHDSACASA-N 1 0 302.338 0.067 10 0 DCAERO Cn1cc([C@H]2CNCCN2C(=O)c2cnn3c2CCCC3)cn1 ZINC000181439570 396239216 /nfs/dbraw/zinc/23/92/16/396239216.db2.gz OXILEZJDSPTHJM-OAHLLOKOSA-N 1 0 314.393 0.740 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCn1ccnn1 ZINC000182723743 396253371 /nfs/dbraw/zinc/25/33/71/396253371.db2.gz GYHJDZSLTONYHG-ZDUSSCGKSA-N 1 0 310.402 0.078 10 0 DCAERO C[C@H](C[S@](C)=O)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182765319 396254228 /nfs/dbraw/zinc/25/42/28/396254228.db2.gz QAGRFIQXCIIXHL-IPQOISQHSA-N 1 0 324.450 0.330 10 0 DCAERO Cn1ccc(CC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000183694539 396273201 /nfs/dbraw/zinc/27/32/01/396273201.db2.gz HFTDORHWEHHTDL-INIZCTEOSA-N 1 0 319.453 0.591 10 0 DCAERO CC(C)[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N1CCCC1=O ZINC000263319152 396213736 /nfs/dbraw/zinc/21/37/36/396213736.db2.gz ZYSLVYZNPDNEEO-DGCLKSJQSA-N 1 0 307.398 0.965 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)NCC[NH+]1CCCCC1 ZINC000077195295 396214621 /nfs/dbraw/zinc/21/46/21/396214621.db2.gz RJXXECYFNXKBGU-UHFFFAOYSA-N 1 0 302.378 0.932 10 0 DCAERO O=C1NCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000179065175 396220285 /nfs/dbraw/zinc/22/02/85/396220285.db2.gz FYSBGVNIIDVGEF-ZDUSSCGKSA-N 1 0 318.373 0.942 10 0 DCAERO CC[N@H+](CCNS(=O)(=O)c1cccc(C(N)=O)c1)C1CC1 ZINC000077389410 396220467 /nfs/dbraw/zinc/22/04/67/396220467.db2.gz CLAHWDZWNIVSDE-UHFFFAOYSA-N 1 0 311.407 0.548 10 0 DCAERO CCN(C)S(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000179676195 396229492 /nfs/dbraw/zinc/22/94/92/396229492.db2.gz KJQIBDKBGFNWKW-AWEZNQCLSA-N 1 0 318.487 0.285 10 0 DCAERO CO[C@@H]1CCN(CC(=O)NC(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000252777687 285713107 /nfs/dbraw/zinc/71/31/07/285713107.db2.gz QLUXGLFESLEMML-WDEREUQCSA-N 1 0 300.403 0.049 10 0 DCAERO COC(=O)[C@H]1C[C@@H](O)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000185540994 396329803 /nfs/dbraw/zinc/32/98/03/396329803.db2.gz JFBGIGHAZGTDAD-HUUCEWRRSA-N 1 0 310.369 0.866 10 0 DCAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000186089412 396341408 /nfs/dbraw/zinc/34/14/08/396341408.db2.gz NAEWARSEYBNGCK-QWHCGFSZSA-N 1 0 302.415 0.423 10 0 DCAERO CCOC(=O)C[C@@](C)([NH2+]C[C@H](O)CN1CCCC1=O)C(C)C ZINC000186702126 396356259 /nfs/dbraw/zinc/35/62/59/396356259.db2.gz SDIWYBGPWVALLC-XJKSGUPXSA-N 1 0 314.426 0.927 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000268867884 396375514 /nfs/dbraw/zinc/37/55/14/396375514.db2.gz FTHZMLBGMPFFQJ-FZMZJTMJSA-N 1 0 302.378 0.410 10 0 DCAERO O=C(NCCNc1ncccc1C(F)(F)F)[C@H]1C[NH2+]CCO1 ZINC000187552982 396370784 /nfs/dbraw/zinc/37/07/84/396370784.db2.gz UAIDRWSWERUINV-SNVBAGLBSA-N 1 0 318.299 0.617 10 0 DCAERO COC[C@@H](C)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000187766073 396373353 /nfs/dbraw/zinc/37/33/53/396373353.db2.gz HZFYJYQZUNZVLF-HNNXBMFYSA-N 1 0 320.437 0.992 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000186363908 396348674 /nfs/dbraw/zinc/34/86/74/396348674.db2.gz VWVITSHEQDNPGD-CMPLNLGQSA-N 1 0 308.382 0.731 10 0 DCAERO Cc1ccc(N2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000188278361 396381291 /nfs/dbraw/zinc/38/12/91/396381291.db2.gz DRJLKVLVXHEFQI-CQSZACIVSA-N 1 0 304.394 0.463 10 0 DCAERO COc1ccccc1CNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189345136 396394194 /nfs/dbraw/zinc/39/41/94/396394194.db2.gz JDUHYBKEQRZPDD-GFCCVEGCSA-N 1 0 305.378 0.522 10 0 DCAERO COC(=O)[C@H](C(OC)OC)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191446930 396419562 /nfs/dbraw/zinc/41/95/62/396419562.db2.gz GZTDYUQJKYFAIQ-CQSZACIVSA-N 1 0 314.426 0.955 10 0 DCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188004465 396377876 /nfs/dbraw/zinc/37/78/76/396377876.db2.gz ZFDRHKSCBLVMAM-CYBMUJFWSA-N 1 0 308.382 0.860 10 0 DCAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000193409224 396450857 /nfs/dbraw/zinc/45/08/57/396450857.db2.gz LELOLZDVSQSZRR-ZJUUUORDSA-N 1 0 316.379 0.733 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372551843 396526989 /nfs/dbraw/zinc/52/69/89/396526989.db2.gz ILRPEBKOYXJSQX-AWEZNQCLSA-N 1 0 311.426 0.303 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000292902134 396575187 /nfs/dbraw/zinc/57/51/87/396575187.db2.gz AMMQCUOSXLFJPH-OLZOCXBDSA-N 1 0 318.373 0.490 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000292902141 396575313 /nfs/dbraw/zinc/57/53/13/396575313.db2.gz AMMQCUOSXLFJPH-STQMWFEESA-N 1 0 318.373 0.490 10 0 DCAERO CC[NH2+]Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536957094 396609788 /nfs/dbraw/zinc/60/97/88/396609788.db2.gz DTMFWHXDAKYIRI-UHFFFAOYSA-N 1 0 310.402 0.971 10 0 DCAERO CN(CCOCC[NH3+])c1ncc(I)cn1 ZINC000301051749 396715811 /nfs/dbraw/zinc/71/58/11/396715811.db2.gz UXHLALNTBFYKDD-UHFFFAOYSA-N 1 0 322.150 0.493 10 0 DCAERO Cc1cc(NC(=O)CN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)no1 ZINC000303032156 396723799 /nfs/dbraw/zinc/72/37/99/396723799.db2.gz AKSXHRVNQBSBOR-KBPBESRZSA-N 1 0 322.409 0.843 10 0 DCAERO COC(=O)c1cc(C[NH2+]CCCN2CCCS2(=O)=O)c[nH]1 ZINC000610651992 396743334 /nfs/dbraw/zinc/74/33/34/396743334.db2.gz BTXFZVRTGCBBOT-UHFFFAOYSA-N 1 0 315.395 0.317 10 0 DCAERO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000375487612 396756978 /nfs/dbraw/zinc/75/69/78/396756978.db2.gz WLEYNRCYOCQJIX-NSHDSACASA-N 1 0 303.366 0.487 10 0 DCAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312943462 396767876 /nfs/dbraw/zinc/76/78/76/396767876.db2.gz GSUVVPGOSDPJOW-KBPBESRZSA-N 1 0 304.456 0.893 10 0 DCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC[C@@H]2C[NH3+])cn1 ZINC000333352474 396922957 /nfs/dbraw/zinc/92/29/57/396922957.db2.gz BIOSTXBGVQODLV-MCIONIFRSA-N 1 0 307.398 0.773 10 0 DCAERO CCC[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC000618676430 397010413 /nfs/dbraw/zinc/01/04/13/397010413.db2.gz SNWKTZOSSGDGLZ-NEPJUHHUSA-N 1 0 305.444 0.209 10 0 DCAERO O[C@H](COc1ccc2c(c1)OCO2)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000591911560 397032813 /nfs/dbraw/zinc/03/28/13/397032813.db2.gz XKOCGZDMOSUKNI-KBPBESRZSA-N 1 0 320.389 0.935 10 0 DCAERO CC(=O)c1cn(Cc2ccc3c(c2)C[NH2+]CC3)c(=O)n(C)c1=O ZINC000572648564 397080628 /nfs/dbraw/zinc/08/06/28/397080628.db2.gz JBMRHLVOAGLNFX-UHFFFAOYSA-N 1 0 313.357 0.444 10 0 DCAERO CCc1nc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cs1 ZINC000393369375 397307596 /nfs/dbraw/zinc/30/75/96/397307596.db2.gz HRNLLIBDVNMIAE-SNVBAGLBSA-N 1 0 305.425 0.113 10 0 DCAERO COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C ZINC000365294041 397262143 /nfs/dbraw/zinc/26/21/43/397262143.db2.gz POUCWNQRZIPUMK-MCIONIFRSA-N 1 0 309.410 0.034 10 0 DCAERO CNS(=O)(=O)CCCN1CC[N@H+](C)CC12CCCCC2 ZINC000407951904 397334979 /nfs/dbraw/zinc/33/49/79/397334979.db2.gz WWMJBNZSRQWFAS-UHFFFAOYSA-N 1 0 303.472 0.876 10 0 DCAERO CS(=O)(=O)Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000407952439 397335263 /nfs/dbraw/zinc/33/52/63/397335263.db2.gz HHMHVAJPYZIHAT-AWEZNQCLSA-N 1 0 323.418 0.978 10 0 DCAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1CO ZINC000621366662 397381787 /nfs/dbraw/zinc/38/17/87/397381787.db2.gz OZQBNXXTRNNTCR-RDBSUJKOSA-N 1 0 304.456 0.608 10 0 DCAERO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=COCCC1 ZINC000369348911 397440069 /nfs/dbraw/zinc/44/00/69/397440069.db2.gz WAFRXTKOOHKHHC-HNNXBMFYSA-N 1 0 309.410 0.203 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000367414640 397399690 /nfs/dbraw/zinc/39/96/90/397399690.db2.gz GAKGNFHYLDDNJO-TYRIBLQHSA-N 1 0 320.437 0.968 10 0 DCAERO CN(C(=O)c1ccnnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371121362 397545352 /nfs/dbraw/zinc/54/53/52/397545352.db2.gz UOCQAXSROSJAJR-HNNXBMFYSA-N 1 0 303.410 0.717 10 0 DCAERO COCCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108535650 292358275 /nfs/dbraw/zinc/35/82/75/292358275.db2.gz WTAIXOJDQCNHHA-OAHLLOKOSA-N 1 0 312.458 0.834 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[N@H+](C)CCOC ZINC000087087029 158091872 /nfs/dbraw/zinc/09/18/72/158091872.db2.gz OBCGIOVGSSMUTQ-LBPRGKRZSA-N 1 0 324.429 0.553 10 0 DCAERO C[C@@H]1C[N@H+](C)CCN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000089939250 158099883 /nfs/dbraw/zinc/09/98/83/158099883.db2.gz CYMLKVMZHGMOIG-GFCCVEGCSA-N 1 0 313.423 0.349 10 0 DCAERO NC(=O)Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000090948569 158106355 /nfs/dbraw/zinc/10/63/55/158106355.db2.gz UGFANQLDTKCNKG-UHFFFAOYSA-N 1 0 304.375 0.924 10 0 DCAERO COCCCOC1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000091211916 158108231 /nfs/dbraw/zinc/10/82/31/158108231.db2.gz VLOCNWBCLZNJMY-CYBMUJFWSA-N 1 0 311.426 0.918 10 0 DCAERO Cc1nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(=O)[nH]c1C ZINC000092516556 158115795 /nfs/dbraw/zinc/11/57/95/158115795.db2.gz NLGWBXANIOMETR-STQMWFEESA-N 1 0 304.394 0.943 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000092929642 158117251 /nfs/dbraw/zinc/11/72/51/158117251.db2.gz ROSWFCNDWGBFDX-CMPLNLGQSA-N 1 0 303.366 0.881 10 0 DCAERO O=C(NCCN1CCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000097394050 158125770 /nfs/dbraw/zinc/12/57/70/158125770.db2.gz FKHRCRDIKBVBPZ-UHFFFAOYSA-N 1 0 324.469 0.836 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102950183 158128127 /nfs/dbraw/zinc/12/81/27/158128127.db2.gz KPFJVSGMWMMBDR-HNNXBMFYSA-N 1 0 323.437 0.568 10 0 DCAERO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112748759 158143289 /nfs/dbraw/zinc/14/32/89/158143289.db2.gz SDFOHTVCKFXCKG-CYBMUJFWSA-N 1 0 306.414 0.624 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCSc1nnnn1C ZINC000113228445 158145618 /nfs/dbraw/zinc/14/56/18/158145618.db2.gz QDPBQLRFBHXBCO-WDEREUQCSA-N 1 0 310.427 0.387 10 0 DCAERO CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000114964570 158160246 /nfs/dbraw/zinc/16/02/46/158160246.db2.gz YYDFFMLWDXKWRU-IHRRRGAJSA-N 1 0 301.431 0.803 10 0 DCAERO C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000119549178 158189219 /nfs/dbraw/zinc/18/92/19/158189219.db2.gz SKXZCLRKFOOLRO-NWDGAFQWSA-N 1 0 319.471 0.791 10 0 DCAERO C[NH2+]CCCNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000121161854 158208001 /nfs/dbraw/zinc/20/80/01/158208001.db2.gz MNFPMHIMOPQARM-UHFFFAOYSA-N 1 0 307.398 0.427 10 0 DCAERO CC(C)CS(=O)(=O)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124096411 158238868 /nfs/dbraw/zinc/23/88/68/158238868.db2.gz NFQNPSKGUPLSFM-STQMWFEESA-N 1 0 304.456 0.998 10 0 DCAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(S(N)(=O)=O)cc1 ZINC000126435429 158264686 /nfs/dbraw/zinc/26/46/86/158264686.db2.gz WTZOVDQMVMPVBO-NSHDSACASA-N 1 0 309.395 0.666 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000129446499 158289056 /nfs/dbraw/zinc/28/90/56/158289056.db2.gz JDWRRWJOWYSWGR-MGPQQGTHSA-N 1 0 308.426 0.922 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)C[NH+](C)C 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10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@@H]1N1CCOCC1 ZINC000137270089 158345545 /nfs/dbraw/zinc/34/55/45/158345545.db2.gz CBIOUDZMJJQWBG-ILXRZTDVSA-N 1 0 307.438 0.555 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1nnc(C(C)C)s1 ZINC000138009751 158346374 /nfs/dbraw/zinc/34/63/74/158346374.db2.gz XQRSIFIAFJGFRL-ZDUSSCGKSA-N 1 0 316.427 0.977 10 0 DCAERO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1COCCN1 ZINC000168845413 158372578 /nfs/dbraw/zinc/37/25/78/158372578.db2.gz NRLGCYLTRZUJSM-CQSZACIVSA-N 1 0 311.426 0.126 10 0 DCAERO [NH3+]CCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562884 158374654 /nfs/dbraw/zinc/37/46/54/158374654.db2.gz YGGQIIGNCTWKQO-SNVBAGLBSA-N 1 0 305.334 0.233 10 0 DCAERO O=C(CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000171623002 158383959 /nfs/dbraw/zinc/38/39/59/158383959.db2.gz FUHQEKSVFFJLGI-CQSZACIVSA-N 1 0 308.426 0.879 10 0 DCAERO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586786 158384471 /nfs/dbraw/zinc/38/44/71/158384471.db2.gz KYBXXIIWHYVZCT-ZYHUDNBSSA-N 1 0 322.438 0.795 10 0 DCAERO C[C@H](NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000171638899 158384979 /nfs/dbraw/zinc/38/49/79/158384979.db2.gz PQSLGFUHQRGTNW-LSDHHAIUSA-N 1 0 322.453 0.284 10 0 DCAERO CCc1nnc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1C ZINC000171933035 158388773 /nfs/dbraw/zinc/38/87/73/158388773.db2.gz FUIDPFYQUUEGGG-OAHLLOKOSA-N 1 0 320.485 0.979 10 0 DCAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCC(N)=O ZINC000172173537 158391436 /nfs/dbraw/zinc/39/14/36/158391436.db2.gz QVVXHESMMHZAMK-JSGCOSHPSA-N 1 0 319.409 0.467 10 0 DCAERO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000176409058 158437240 /nfs/dbraw/zinc/43/72/40/158437240.db2.gz DMMBWXUUHMAFFU-CYBMUJFWSA-N 1 0 308.430 0.592 10 0 DCAERO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000178542276 158459803 /nfs/dbraw/zinc/45/98/03/158459803.db2.gz SBSWZEBFLMMDDD-DGCLKSJQSA-N 1 0 311.451 0.885 10 0 DCAERO C[NH+](C)CC1CCC(NC(=O)NCC2(O)CCOCC2)CC1 ZINC000178976687 158467542 /nfs/dbraw/zinc/46/75/42/158467542.db2.gz BRJJZGYDPNYNTD-UHFFFAOYSA-N 1 0 313.442 0.948 10 0 DCAERO O=C(CCN1CCCS1(=O)=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186532526 158532246 /nfs/dbraw/zinc/53/22/46/158532246.db2.gz UGQGIFZFZPEJDD-LBPRGKRZSA-N 1 0 315.439 0.155 10 0 DCAERO CNC(=O)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000187023343 158535951 /nfs/dbraw/zinc/53/59/51/158535951.db2.gz LMQKIMQDJOPAQV-AWEZNQCLSA-N 1 0 318.421 0.449 10 0 DCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189054824 158549864 /nfs/dbraw/zinc/54/98/64/158549864.db2.gz ZGVRGBOSTOIMSV-OAHLLOKOSA-N 1 0 323.437 0.517 10 0 DCAERO CN1C(=S)N=NC1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246604844 158667376 /nfs/dbraw/zinc/66/73/76/158667376.db2.gz JDIDIFHWPXJEGV-MXWKQRLJSA-N 1 0 309.439 0.683 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C[C@@H]12 ZINC000248558484 158692523 /nfs/dbraw/zinc/69/25/23/158692523.db2.gz AHWUHANENJJFLT-OWYVNGRQSA-N 1 0 322.386 0.715 10 0 DCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@@H]12 ZINC000248644755 158693972 /nfs/dbraw/zinc/69/39/72/158693972.db2.gz SCRPUGGZMYAGCI-IWSPIJDZSA-N 1 0 309.288 0.471 10 0 DCAERO [NH3+]CC1(C(=O)NCCC(=O)NCc2ccccc2)CCOCC1 ZINC000261958324 158758679 /nfs/dbraw/zinc/75/86/79/158758679.db2.gz PEUAPIGSIBSOJO-UHFFFAOYSA-N 1 0 319.405 0.565 10 0 DCAERO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262001421 158762626 /nfs/dbraw/zinc/76/26/26/158762626.db2.gz VDWZEUVVRBLWEB-MCIONIFRSA-N 1 0 311.426 0.518 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCCCC2)nc1 ZINC000262076881 158770220 /nfs/dbraw/zinc/77/02/20/158770220.db2.gz CDMSMVZJUKBDAL-LSDHHAIUSA-N 1 0 318.421 0.772 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)n1cccn1 ZINC000262135009 158777419 /nfs/dbraw/zinc/77/74/19/158777419.db2.gz WVSNLPJOPVBCFS-OLZOCXBDSA-N 1 0 321.425 0.488 10 0 DCAERO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262202603 158784686 /nfs/dbraw/zinc/78/46/86/158784686.db2.gz IGMPBYYPHADYQV-NVXWUHKLSA-N 1 0 316.401 0.835 10 0 DCAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262314844 158796084 /nfs/dbraw/zinc/79/60/84/158796084.db2.gz QTPHRKLZWPVQHI-GXSJLCMTSA-N 1 0 321.406 0.162 10 0 DCAERO O=C(COc1ccc2ccccc2c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262325265 158797952 /nfs/dbraw/zinc/79/79/52/158797952.db2.gz RTIPNXHVRWZBJT-GDBMZVCRSA-N 1 0 300.358 0.915 10 0 DCAERO COc1cccc(CO[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262346633 158801207 /nfs/dbraw/zinc/80/12/07/158801207.db2.gz UDWOCGDLNFEPKI-KYOSRNDESA-N 1 0 308.378 0.297 10 0 DCAERO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c2)cs1 ZINC000262360439 158803805 /nfs/dbraw/zinc/80/38/05/158803805.db2.gz VCOAAMNGIJQFGB-GXFFZTMASA-N 1 0 306.391 0.757 10 0 DCAERO Cc1cnn(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc2)c1 ZINC000262403569 158809678 /nfs/dbraw/zinc/80/96/78/158809678.db2.gz YULMQCMJMRYMLH-HIFRSBDPSA-N 1 0 300.362 0.491 10 0 DCAERO COc1cc(NC(=O)[C@H](C)C2C[NH2+]C2)c(C(N)=O)cc1OC ZINC000262505948 158819700 /nfs/dbraw/zinc/81/97/00/158819700.db2.gz JEEYHLNYBYIMNW-MRVPVSSYSA-N 1 0 307.350 0.597 10 0 DCAERO COCC1(C(=O)N2CCN(C(=O)C(C)C)CC2)CC[NH2+]CC1 ZINC000262569990 158826517 /nfs/dbraw/zinc/82/65/17/158826517.db2.gz XHHFXGWHZKRFMD-UHFFFAOYSA-N 1 0 311.426 0.329 10 0 DCAERO CCOC(=O)C(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(=O)OCC ZINC000262632957 158830908 /nfs/dbraw/zinc/83/09/08/158830908.db2.gz UVPHKHKDPNAIGK-ZJUUUORDSA-N 1 0 300.355 0.115 10 0 DCAERO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000323374273 159012563 /nfs/dbraw/zinc/01/25/63/159012563.db2.gz FIZFAYAPPUBWKC-VBQJREDUSA-N 1 0 323.437 0.480 10 0 DCAERO C[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000328878072 159036701 /nfs/dbraw/zinc/03/67/01/159036701.db2.gz IWAOPVXRSWUHDO-MELADBBJSA-N 1 0 319.471 0.662 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)[N@H+](C)C1 ZINC000329021188 159052660 /nfs/dbraw/zinc/05/26/60/159052660.db2.gz MDJCZGBEIXSXQM-KKUMJFAQSA-N 1 0 322.409 0.138 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCN1C1CC[NH+](C)CC1 ZINC000329083963 159059980 /nfs/dbraw/zinc/05/99/80/159059980.db2.gz FMDNWSJENLCWCY-ZIAGYGMSSA-N 1 0 322.453 0.980 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)CCO1 ZINC000329231522 159074628 /nfs/dbraw/zinc/07/46/28/159074628.db2.gz FGNPXTQOWPSOCQ-CYBMUJFWSA-N 1 0 323.437 0.567 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](C3CCC3)CC2)C1 ZINC000329571824 159104217 /nfs/dbraw/zinc/10/42/17/159104217.db2.gz UUFQYZHYDKUZCJ-ZDUSSCGKSA-N 1 0 308.426 0.930 10 0 DCAERO CO[C@H]1C[NH+](CCc2c(C)nc3ccccn3c2=O)C[C@@H]1OC ZINC000329816881 159122001 /nfs/dbraw/zinc/12/20/01/159122001.db2.gz FOZBWNKIRNGHDQ-GJZGRUSLSA-N 1 0 317.389 0.891 10 0 DCAERO Cc1cccc2nc(CN3CCN4C(=O)NC[C@H]4C3)cc(=O)n12 ZINC000330278285 159156106 /nfs/dbraw/zinc/15/61/06/159156106.db2.gz PKVQQMRASQRQBT-ZDUSSCGKSA-N 1 0 313.361 0.417 10 0 DCAERO C[C@@H](C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C1C[NH2+]C1 ZINC000262019799 286743307 /nfs/dbraw/zinc/74/33/07/286743307.db2.gz AGHQCAJATUURNC-OCCSQVGLSA-N 1 0 303.410 0.759 10 0 DCAERO O=C(c1ccc(Br)o1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366990234 159302412 /nfs/dbraw/zinc/30/24/12/159302412.db2.gz SCVPBZTYKPMAQF-APPZFPTMSA-N 1 0 301.140 0.855 10 0 DCAERO Cc1cc2c(cc1S(=O)(=O)N1CC[C@H]3C[NH2+]C[C@H]31)OCO2 ZINC000367831912 159359180 /nfs/dbraw/zinc/35/91/80/159359180.db2.gz LHCGHPKBELHWJE-WDEREUQCSA-N 1 0 310.375 0.706 10 0 DCAERO COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000368619117 159406367 /nfs/dbraw/zinc/40/63/67/159406367.db2.gz NNZMLLRVTNSRFR-AEGPPILISA-N 1 0 324.421 0.803 10 0 DCAERO COc1ccc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000408015094 160011467 /nfs/dbraw/zinc/01/14/67/160011467.db2.gz ABEMLRNKWLXIDD-KGLIPLIRSA-N 1 0 320.393 0.705 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000408019480 160012698 /nfs/dbraw/zinc/01/26/98/160012698.db2.gz GQRJJOAAWFMRJM-ZDUSSCGKSA-N 1 0 317.455 0.259 10 0 DCAERO Cc1noc(CCCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408042531 160020234 /nfs/dbraw/zinc/02/02/34/160020234.db2.gz RYOWYRBFMCRMCF-STQMWFEESA-N 1 0 308.382 0.632 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H](C)C2)[N@H+](C)C1 ZINC000408046667 160021200 /nfs/dbraw/zinc/02/12/00/160021200.db2.gz CQVLVPOSABFAQC-RDBSUJKOSA-N 1 0 311.426 0.422 10 0 DCAERO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000408122079 160041054 /nfs/dbraw/zinc/04/10/54/160041054.db2.gz TWZJOAJSJVACCP-ZIAGYGMSSA-N 1 0 308.426 0.782 10 0 DCAERO CC1CCN(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000408183478 160054472 /nfs/dbraw/zinc/05/44/72/160054472.db2.gz RKKZYVRIAFMZAG-CYBMUJFWSA-N 1 0 305.444 0.226 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408184807 160055480 /nfs/dbraw/zinc/05/54/80/160055480.db2.gz DYDHOHLHJIPACH-VXGBXAGGSA-N 1 0 305.444 0.067 10 0 DCAERO C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[S@]1=O ZINC000408211597 160060643 /nfs/dbraw/zinc/06/06/43/160060643.db2.gz PXXMETVHPAHURC-LAJNKCICSA-N 1 0 313.467 0.182 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CC[S@](=O)[C@H](C)C2)CC1 ZINC000408210299 160061062 /nfs/dbraw/zinc/06/10/62/160061062.db2.gz GQSSBYJGSBZQCL-ASSNKEHSSA-N 1 0 315.483 0.428 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000408214684 160061475 /nfs/dbraw/zinc/06/14/75/160061475.db2.gz OQMOULFQNMFHNW-KGLIPLIRSA-N 1 0 320.455 0.538 10 0 DCAERO C[N@H+](CCO)C1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000408222639 160063064 /nfs/dbraw/zinc/06/30/64/160063064.db2.gz DOPUUBSYVSSPSA-UHFFFAOYSA-N 1 0 304.456 0.895 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccco2)C1 ZINC000408233745 160065673 /nfs/dbraw/zinc/06/56/73/160065673.db2.gz XHLJQYWCLWVWNK-OLZOCXBDSA-N 1 0 305.378 0.952 10 0 DCAERO 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DOLQTKCEKHXKNM-NSHDSACASA-N 1 0 318.368 0.590 10 0 DCAERO Cn1cc(-c2ncc(C(=O)NC[C@](C)(O)C[NH+](C)C)s2)cn1 ZINC000153345158 287049437 /nfs/dbraw/zinc/04/94/37/287049437.db2.gz AWGNDCTXLLQRJO-AWEZNQCLSA-N 1 0 323.422 0.586 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COC1CCOCC1 ZINC000245872846 287073767 /nfs/dbraw/zinc/07/37/67/287073767.db2.gz PUCWMFWOQBBCQW-LSDHHAIUSA-N 1 0 300.443 0.959 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000246895731 287089018 /nfs/dbraw/zinc/08/90/18/287089018.db2.gz HEAMTORNGYRGGN-NEPJUHHUSA-N 1 0 303.428 0.011 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246668686 287086392 /nfs/dbraw/zinc/08/63/92/287086392.db2.gz UBNVGUUNGZZWHF-UWVGGRQHSA-N 1 0 322.331 0.543 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000247320496 287092718 /nfs/dbraw/zinc/09/27/18/287092718.db2.gz OPQONHCJTGCYJL-OCCSQVGLSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)CCN1C ZINC000247404738 287093651 /nfs/dbraw/zinc/09/36/51/287093651.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 1 0 300.443 0.957 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000248880386 287102505 /nfs/dbraw/zinc/10/25/05/287102505.db2.gz KPNVKDJNBOAEHM-XQQFMLRXSA-N 1 0 319.471 0.455 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000249475497 287111445 /nfs/dbraw/zinc/11/14/45/287111445.db2.gz UDMNSTGSTORXKY-FRRDWIJNSA-N 1 0 305.444 0.414 10 0 DCAERO Cc1ccc(OC[C@@H](O)CN2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000249604457 287116083 /nfs/dbraw/zinc/11/60/83/287116083.db2.gz ZGALZDQYCCATAI-HOTGVXAUSA-N 1 0 308.422 0.733 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000249604069 287116097 /nfs/dbraw/zinc/11/60/97/287116097.db2.gz ZDFCNJDSNUEOIE-UKRRQHHQSA-N 1 0 312.385 0.564 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccn(C)c1=O ZINC000177580524 287268967 /nfs/dbraw/zinc/26/89/67/287268967.db2.gz JAEUVPOJLXOJDS-GFCCVEGCSA-N 1 0 320.393 0.314 10 0 DCAERO O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000063156571 415352033 /nfs/dbraw/zinc/35/20/33/415352033.db2.gz GYMRQMWVMSUMCU-RDBSUJKOSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C[C@H]1C ZINC000273541352 415323991 /nfs/dbraw/zinc/32/39/91/415323991.db2.gz TWDQDXFBBGZEHG-DYEKYZERSA-N 1 0 321.425 0.884 10 0 DCAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144009 415400189 /nfs/dbraw/zinc/40/01/89/415400189.db2.gz BOBOVWREAQPUFM-KBPBESRZSA-N 1 0 313.419 0.902 10 0 DCAERO CN(CC(N)=O)C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000275715200 415381071 /nfs/dbraw/zinc/38/10/71/415381071.db2.gz OAMUUAUSOIJMLT-CQSZACIVSA-N 1 0 316.405 0.786 10 0 DCAERO CCCn1nccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081325345 415483779 /nfs/dbraw/zinc/48/37/79/415483779.db2.gz PSGDRLQVTMYHMP-GFCCVEGCSA-N 1 0 307.398 0.642 10 0 DCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000332841804 415493712 /nfs/dbraw/zinc/49/37/12/415493712.db2.gz DAZZACBOWXMQHN-LXTVHRRPSA-N 1 0 311.426 0.772 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@@H]1[NH+](C)C ZINC000332721726 415455723 /nfs/dbraw/zinc/45/57/23/415455723.db2.gz MNQXWWFSCHXTDB-AGIUHOORSA-N 1 0 308.426 0.779 10 0 DCAERO CN(C(=O)N[C@H]1CCCN(c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333381143 415628589 /nfs/dbraw/zinc/62/85/89/415628589.db2.gz NNWOAEQXBJEVIO-BPUTZDHNSA-N 1 0 318.421 0.630 10 0 DCAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105903832 415636729 /nfs/dbraw/zinc/63/67/29/415636729.db2.gz YFUUZPOQFTWQOL-PMPSAXMXSA-N 1 0 324.425 0.547 10 0 DCAERO CN1CCN(c2ncc(CN[C@@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000333200956 415582276 /nfs/dbraw/zinc/58/22/76/415582276.db2.gz XSTUJDUEIVTAJX-OAHLLOKOSA-N 1 0 304.442 0.460 10 0 DCAERO Cn1nccc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107281165 415665265 /nfs/dbraw/zinc/66/52/65/415665265.db2.gz NMZDWJMGAUYWFI-CQSZACIVSA-N 1 0 305.426 0.662 10 0 DCAERO Cc1noc(C)c1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000107395040 415669534 /nfs/dbraw/zinc/66/95/34/415669534.db2.gz SVWILIOAUGZFCL-CQSZACIVSA-N 1 0 324.425 0.980 10 0 DCAERO CS(=O)(=O)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107817941 415673386 /nfs/dbraw/zinc/67/33/86/415673386.db2.gz GJSQVEAWLBHEJP-ZDUSSCGKSA-N 1 0 317.455 0.691 10 0 DCAERO CC(C)(C[NH2+]C[C@@H](O)COCc1ccco1)NS(C)(=O)=O ZINC000111773179 415697029 /nfs/dbraw/zinc/69/70/29/415697029.db2.gz LSMPAZZVEBNOSJ-LLVKDONJSA-N 1 0 320.411 0.075 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCNC[C@@H]1c1cccnc1 ZINC000333719125 415722878 /nfs/dbraw/zinc/72/28/78/415722878.db2.gz UGJOKVCTUMTJJA-LSDHHAIUSA-N 1 0 303.410 0.880 10 0 DCAERO C[C@H]1[C@@H](O)CCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333668331 415711116 /nfs/dbraw/zinc/71/11/16/415711116.db2.gz MRCCYJVUPBVXIV-LBDPXKHJSA-N 1 0 324.469 0.758 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCCC[NH2+]C3)cc12 ZINC000333671019 415711634 /nfs/dbraw/zinc/71/16/34/415711634.db2.gz NBJKDJZLMLMBBJ-NSHDSACASA-N 1 0 323.422 0.697 10 0 DCAERO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333667492 415711674 /nfs/dbraw/zinc/71/16/74/415711674.db2.gz XTXLPRGFJIDLBX-CJNGLKHVSA-N 1 0 320.437 0.973 10 0 DCAERO COC(=O)[C@H](C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112282973 415712090 /nfs/dbraw/zinc/71/20/90/415712090.db2.gz CBAHXASTGUIRFD-GFCCVEGCSA-N 1 0 320.393 0.372 10 0 DCAERO CC(C)[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333923388 415764547 /nfs/dbraw/zinc/76/45/47/415764547.db2.gz SCHRKWCOZQCNJM-LSDHHAIUSA-N 1 0 312.458 0.785 10 0 DCAERO O=C(Nc1ccc2c(c1)OCO2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333942729 415768999 /nfs/dbraw/zinc/76/89/99/415768999.db2.gz QGOIMARHQZSSHK-CYBMUJFWSA-N 1 0 318.377 0.927 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000119832574 415750916 /nfs/dbraw/zinc/75/09/16/415750916.db2.gz RWTDCXUTASZDAO-LBPRGKRZSA-N 1 0 324.425 0.411 10 0 DCAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333870781 415754727 /nfs/dbraw/zinc/75/47/27/415754727.db2.gz UPAXRCAZSOLMMJ-IHRRRGAJSA-N 1 0 306.414 0.970 10 0 DCAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)CC1(O)CCCC1 ZINC000124322612 415848637 /nfs/dbraw/zinc/84/86/37/415848637.db2.gz CESPXMZOSGITFP-CYBMUJFWSA-N 1 0 304.456 0.895 10 0 DCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000334021029 415785912 /nfs/dbraw/zinc/78/59/12/415785912.db2.gz DAZZACBOWXMQHN-APIJFGDWSA-N 1 0 311.426 0.772 10 0 DCAERO CC(C)(C)OC[C@@H](O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000121134658 415793191 /nfs/dbraw/zinc/79/31/91/415793191.db2.gz BZZZXGSODOWHGE-OLZOCXBDSA-N 1 0 305.440 0.814 10 0 DCAERO C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCS1(=O)=O ZINC000125893096 415869526 /nfs/dbraw/zinc/86/95/26/415869526.db2.gz BVWABCOHDAROMN-GFCCVEGCSA-N 1 0 317.455 0.689 10 0 DCAERO CC(=O)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000129083313 415904380 /nfs/dbraw/zinc/90/43/80/415904380.db2.gz LWFKJBYIANCKRW-GFCCVEGCSA-N 1 0 304.394 0.931 10 0 DCAERO C[C@H](CS(C)(=O)=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129641084 415909287 /nfs/dbraw/zinc/90/92/87/415909287.db2.gz ZMQUXPXXIBKFPZ-PNESKVBLSA-N 1 0 304.456 0.904 10 0 DCAERO C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000125388906 415865522 /nfs/dbraw/zinc/86/55/22/415865522.db2.gz SMNMFIPDDIFQQC-XQQFMLRXSA-N 1 0 321.487 0.906 10 0 DCAERO CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000153289055 415978558 /nfs/dbraw/zinc/97/85/58/415978558.db2.gz FGWJDEGSJMNZHG-DZGCQCFKSA-N 1 0 317.389 0.991 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)CCO1 ZINC000153616394 415984013 /nfs/dbraw/zinc/98/40/13/415984013.db2.gz YORYAWVNQNDOHD-LBPRGKRZSA-N 1 0 305.378 0.700 10 0 DCAERO C[NH+](C)CCN1CCC(NC(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000132402366 415932224 /nfs/dbraw/zinc/93/22/24/415932224.db2.gz NTESFCYRCMGABM-HNNXBMFYSA-N 1 0 319.453 0.903 10 0 DCAERO O[C@H](Cn1cccn1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000171942000 416042692 /nfs/dbraw/zinc/04/26/92/416042692.db2.gz XMMKPWAHWZXPEM-CVEARBPZSA-N 1 0 308.426 0.431 10 0 DCAERO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(O)c2)C1 ZINC000357437744 416079906 /nfs/dbraw/zinc/07/99/06/416079906.db2.gz YYUGDKNRRBMXBO-CYBMUJFWSA-N 1 0 305.378 0.709 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000173893671 416067618 /nfs/dbraw/zinc/06/76/18/416067618.db2.gz FHBJUUCBZLOZPA-CVEARBPZSA-N 1 0 324.469 0.834 10 0 DCAERO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338278394 416072061 /nfs/dbraw/zinc/07/20/61/416072061.db2.gz GCMZWYKDVFYMLY-YNEHKIRRSA-N 1 0 306.428 0.052 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000174091402 416072206 /nfs/dbraw/zinc/07/22/06/416072206.db2.gz AREJGHCAZFKTSJ-AWEZNQCLSA-N 1 0 324.425 0.852 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338307137 416075723 /nfs/dbraw/zinc/07/57/23/416075723.db2.gz OESMUZUGKXULPP-HZSPNIEDSA-N 1 0 301.456 0.436 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000338318546 416077366 /nfs/dbraw/zinc/07/73/66/416077366.db2.gz RTLAIQUVKFONNW-UWVGGRQHSA-N 1 0 316.345 0.267 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174343890 416078024 /nfs/dbraw/zinc/07/80/24/416078024.db2.gz RIMXXKYOCSAJBO-LLVKDONJSA-N 1 0 308.382 0.014 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)c1c(C)nn(C)c1C ZINC000170809385 416035045 /nfs/dbraw/zinc/03/50/45/416035045.db2.gz PNBPUGJDSSTJQP-CYBMUJFWSA-N 1 0 322.409 0.447 10 0 DCAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)NC)nn2)C[C@H]1C ZINC000301448282 416083747 /nfs/dbraw/zinc/08/37/47/416083747.db2.gz RZSVMJQYZUKGNQ-GFCCVEGCSA-N 1 0 307.398 0.383 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000175345111 416103581 /nfs/dbraw/zinc/10/35/81/416103581.db2.gz CQGMIYJGKIXZLP-OAHLLOKOSA-N 1 0 310.442 0.093 10 0 DCAERO Cn1ncc(Br)c1CN1CCCO[C@@H](C[NH3+])C1 ZINC000313394610 416107699 /nfs/dbraw/zinc/10/76/99/416107699.db2.gz 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416127525 /nfs/dbraw/zinc/12/75/25/416127525.db2.gz HOVHSHAKHFWENZ-ZDUSSCGKSA-N 1 0 308.382 0.306 10 0 DCAERO CCN(CC)C(=O)C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176625501 416131310 /nfs/dbraw/zinc/13/13/10/416131310.db2.gz UHTOVSNVGGKKSO-CYBMUJFWSA-N 1 0 319.471 0.458 10 0 DCAERO C[C@@H](CS(C)(=O)=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176742530 416133731 /nfs/dbraw/zinc/13/37/31/416133731.db2.gz VHZFBQBTVSMKHD-LBPRGKRZSA-N 1 0 302.440 0.754 10 0 DCAERO Cc1nnc2ccc(NC[C@H](c3cnn(C)c3)[NH+](C)C)nn12 ZINC000301268926 416080704 /nfs/dbraw/zinc/08/07/04/416080704.db2.gz GHPFZVGRVKCJPG-GFCCVEGCSA-N 1 0 300.370 0.881 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000178676435 416169111 /nfs/dbraw/zinc/16/91/11/416169111.db2.gz XLMKHSGRTYPXBC-NSHDSACASA-N 1 0 310.398 0.437 10 0 DCAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178715087 416170273 /nfs/dbraw/zinc/17/02/73/416170273.db2.gz RZNQMGOJPPPTHG-HOTGVXAUSA-N 1 0 315.417 0.946 10 0 DCAERO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H]2CN3CCN2CC3)s1 ZINC000178732257 416170479 /nfs/dbraw/zinc/17/04/79/416170479.db2.gz CXZFVAVOSLIGJU-RYUDHWBXSA-N 1 0 324.450 0.889 10 0 DCAERO COc1ccnc(N2CCC(C(=O)NC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000178738081 416170630 /nfs/dbraw/zinc/17/06/30/416170630.db2.gz LWXMOPNCDFELQM-CYBMUJFWSA-N 1 0 319.409 0.570 10 0 DCAERO CC[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)C[C@@]2(CCOC2)O1 ZINC000330102311 416196170 /nfs/dbraw/zinc/19/61/70/416196170.db2.gz FSLOBGLKWGWXTJ-IIAWOOMASA-N 1 0 312.410 0.240 10 0 DCAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCOC1 ZINC000358138269 416200388 /nfs/dbraw/zinc/20/03/88/416200388.db2.gz UVKMETGDHOEOMX-HOCLYGCPSA-N 1 0 309.454 0.945 10 0 DCAERO Cc1cnc(C)c(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000358255109 416218635 /nfs/dbraw/zinc/21/86/35/416218635.db2.gz KKGQVTRQSBCLDS-UHFFFAOYSA-N 1 0 305.426 1.448 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000330614241 416218859 /nfs/dbraw/zinc/21/88/59/416218859.db2.gz 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COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C3C[NH2+]C3)C2)c1 ZINC000262280890 416336466 /nfs/dbraw/zinc/33/64/66/416336466.db2.gz VRSLVGAFCRUEPK-LBPRGKRZSA-N 1 0 319.405 0.866 10 0 DCAERO COc1ccccc1[C@H]1C[NH2+]CCN1CCN1C(=O)CNC1=O ZINC000262270066 416336601 /nfs/dbraw/zinc/33/66/01/416336601.db2.gz SKVSLOATIXYYPT-CYBMUJFWSA-N 1 0 318.377 0.193 10 0 DCAERO O=C(Cn1cnc2ccccc2c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195309321 416325805 /nfs/dbraw/zinc/32/58/05/416325805.db2.gz COHQYVFRMMHUTO-ZDUSSCGKSA-N 1 0 312.373 0.703 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195322480 416326204 /nfs/dbraw/zinc/32/62/04/416326204.db2.gz AVGWFWVCTDHRSY-CYBMUJFWSA-N 1 0 323.418 0.515 10 0 DCAERO O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC000532716920 416451333 /nfs/dbraw/zinc/45/13/33/416451333.db2.gz VCYCNOQYDSDWGN-IJEWVQPXSA-N 1 0 312.410 0.145 10 0 DCAERO CS[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@H]1[NH+](C)C ZINC000535729321 416526563 /nfs/dbraw/zinc/52/65/63/416526563.db2.gz MGZVIAVEEFPEEJ-RYUDHWBXSA-N 1 0 305.407 0.847 10 0 DCAERO C[C@@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[NH+](C)C ZINC000459049134 416519270 /nfs/dbraw/zinc/51/92/70/416519270.db2.gz YQFRBMOFLXZJJV-IHRRRGAJSA-N 1 0 313.442 0.803 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000538318244 416568306 /nfs/dbraw/zinc/56/83/06/416568306.db2.gz ZMJSSJLHCHKAHE-JTQLQIEISA-N 1 0 309.332 0.807 10 0 DCAERO C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000547691696 416681244 /nfs/dbraw/zinc/68/12/44/416681244.db2.gz NGPUPIFZLISNFK-RWMBFGLXSA-N 1 0 308.382 0.940 10 0 DCAERO Cc1nccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000366462577 416627928 /nfs/dbraw/zinc/62/79/28/416627928.db2.gz LRAWXJTXTSIGIU-HNNXBMFYSA-N 1 0 303.410 0.699 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000543672150 416644165 /nfs/dbraw/zinc/64/41/65/416644165.db2.gz IAYVXHUOACSWGD-QWHCGFSZSA-N 1 0 319.471 0.935 10 0 DCAERO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CCCO ZINC000440935466 416654130 /nfs/dbraw/zinc/65/41/30/416654130.db2.gz AIBCURWRTKUTDS-ZIAGYGMSSA-N 1 0 322.405 0.988 10 0 DCAERO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CCCO ZINC000440935460 416654519 /nfs/dbraw/zinc/65/45/19/416654519.db2.gz AIBCURWRTKUTDS-KGLIPLIRSA-N 1 0 322.405 0.988 10 0 DCAERO CN(CCCO)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000443268596 416744006 /nfs/dbraw/zinc/74/40/06/416744006.db2.gz KXGXWVVQXVTSGS-UHFFFAOYSA-N 1 0 323.393 0.406 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CCCCNC1=O ZINC000369196712 416732962 /nfs/dbraw/zinc/73/29/62/416732962.db2.gz ZBOVISRDQYZSMJ-LSDHHAIUSA-N 1 0 324.469 0.435 10 0 DCAERO c1ncc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623652725 416864649 /nfs/dbraw/zinc/86/46/49/416864649.db2.gz NYINXOAHJDPERN-JTQLQIEISA-N 1 0 301.379 0.949 10 0 DCAERO Cc1cnc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)s1 ZINC000445098535 416885292 /nfs/dbraw/zinc/88/52/92/416885292.db2.gz CUEBJESYUWOPDQ-UHFFFAOYSA-N 1 0 305.363 0.435 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000631975867 416842576 /nfs/dbraw/zinc/84/25/76/416842576.db2.gz LRIGLAIBGXEJEE-CYDGBPFRSA-N 1 0 305.444 0.448 10 0 DCAERO O=C1NC(=O)[C@@]2(CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)N1 ZINC000373842281 416963115 /nfs/dbraw/zinc/96/31/15/416963115.db2.gz AOYRAEZGNVCYBH-HNNXBMFYSA-N 1 0 323.393 0.594 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)Cc2ccc(F)cc2)CCOCC1 ZINC000624386791 417024224 /nfs/dbraw/zinc/02/42/24/417024224.db2.gz XKVZTUMKAKZNPL-UHFFFAOYSA-N 1 0 302.371 0.753 10 0 DCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2([NH3+])CCOCC2)C1 ZINC000624386161 417024644 /nfs/dbraw/zinc/02/46/44/417024644.db2.gz ASGYEZCPQYEVLA-VXGBXAGGSA-N 1 0 305.444 0.307 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(F)ccc1F ZINC000624395998 417026543 /nfs/dbraw/zinc/02/65/43/417026543.db2.gz YDMYXMYDQFRFAT-UHFFFAOYSA-N 1 0 308.350 0.821 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(C)ccc1F ZINC000624396280 417027768 /nfs/dbraw/zinc/02/77/68/417027768.db2.gz JGQKRANXVIJOHT-UHFFFAOYSA-N 1 0 304.387 0.991 10 0 DCAERO [NH3+]CCCOCCNS(=O)(=O)c1cccc2nsnc21 ZINC000624407845 417032949 /nfs/dbraw/zinc/03/29/49/417032949.db2.gz URQZAXZUZCVRKL-UHFFFAOYSA-N 1 0 316.408 0.335 10 0 DCAERO COc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1F ZINC000624407444 417033143 /nfs/dbraw/zinc/03/31/43/417033143.db2.gz CXYWVVFOEKIXJR-UHFFFAOYSA-N 1 0 306.359 0.478 10 0 DCAERO COC1(CO)CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000447829574 417033257 /nfs/dbraw/zinc/03/32/57/417033257.db2.gz GZSQZTWJOOSOAC-UHFFFAOYSA-N 1 0 311.426 0.821 10 0 DCAERO COCCC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000375789132 417009935 /nfs/dbraw/zinc/00/99/35/417009935.db2.gz SXZTUKONLCMPHV-NXEZZACHSA-N 1 0 318.361 0.777 10 0 DCAERO CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000383288721 417088339 /nfs/dbraw/zinc/08/83/39/417088339.db2.gz KPWVPFWICBWDCF-NEPJUHHUSA-N 1 0 303.428 0.059 10 0 DCAERO CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404164520 417118625 /nfs/dbraw/zinc/11/86/25/417118625.db2.gz NLCUAUKWICSLKM-CABCVRRESA-N 1 0 310.419 0.921 10 0 DCAERO O=C(NC[C@@H]1COCC[NH2+]1)c1nscc1Br ZINC000404815960 417121645 /nfs/dbraw/zinc/12/16/45/417121645.db2.gz PUZXPQKFMCPICD-ZCFIWIBFSA-N 1 0 306.185 0.624 10 0 DCAERO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ccc(CO)o2)CC1 ZINC000525182579 417127897 /nfs/dbraw/zinc/12/78/97/417127897.db2.gz WPKSDLVEGOSFCJ-UHFFFAOYSA-N 1 0 321.421 0.806 10 0 DCAERO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029796 417131782 /nfs/dbraw/zinc/13/17/82/417131782.db2.gz JGPLVSYNJXJHBM-QLFBSQMISA-N 1 0 319.453 0.679 10 0 DCAERO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000408047905 417136910 /nfs/dbraw/zinc/13/69/10/417136910.db2.gz JUIHQIKTUHSNLN-MRXNPFEDSA-N 1 0 309.410 0.058 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408112453 417140762 /nfs/dbraw/zinc/14/07/62/417140762.db2.gz MRURWKZLZGICPU-AVGNSLFASA-N 1 0 307.460 0.660 10 0 DCAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000408120650 417143281 /nfs/dbraw/zinc/14/32/81/417143281.db2.gz AQMQGYCPSWQDGS-STQMWFEESA-N 1 0 319.471 0.757 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000568619487 417154459 /nfs/dbraw/zinc/15/44/59/417154459.db2.gz CRONKEXCVVQHGO-CABCVRRESA-N 1 0 320.389 0.839 10 0 DCAERO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000528047452 417297033 /nfs/dbraw/zinc/29/70/33/417297033.db2.gz LDLPVKMCGZCFBO-JHJVBQTASA-N 1 0 305.444 0.270 10 0 DCAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000450728100 417259568 /nfs/dbraw/zinc/25/95/68/417259568.db2.gz JSDUDDVEXLOUPW-XEZPLFJOSA-N 1 0 306.406 0.909 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](CCCc2nc(C)no2)CC12COC2 ZINC000451131183 417302224 /nfs/dbraw/zinc/30/22/24/417302224.db2.gz GMZDOQBCTHPVCC-GFCCVEGCSA-N 1 0 309.366 0.822 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638874783 417573250 /nfs/dbraw/zinc/57/32/50/417573250.db2.gz BTVCLNZVCQHGRQ-JGVFFNPUSA-N 1 0 301.188 0.926 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CO[C@H](C5CC5)C4)C3)nn12 ZINC000628424993 417619214 /nfs/dbraw/zinc/61/92/14/417619214.db2.gz XQUGIZZTMHAURL-MJBXVCDLSA-N 1 0 314.393 0.860 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[S@@](=O)C2)CC1 ZINC000531886830 417647533 /nfs/dbraw/zinc/64/75/33/417647533.db2.gz YCDRRSJHQDXTFW-RNODOKPDSA-N 1 0 301.456 0.929 10 0 DCAERO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCc3cncn3C2)n1 ZINC000581372769 417729335 /nfs/dbraw/zinc/72/93/35/417729335.db2.gz XHLNAKLTILMKGK-GFCCVEGCSA-N 1 0 302.382 0.842 10 0 DCAERO CC(C)[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)CC[N@@H+]1C ZINC000630045182 417812062 /nfs/dbraw/zinc/81/20/62/417812062.db2.gz ZDUNWPSAMWXJOH-GJZGRUSLSA-N 1 0 300.443 0.551 10 0 DCAERO CN1C[C@H](C[NH2+]Cc2c(Br)cnn2C)CC1=O ZINC000657695470 417893294 /nfs/dbraw/zinc/89/32/94/417893294.db2.gz MMFQJTVTJBKQOV-QMMMGPOBSA-N 1 0 301.188 0.751 10 0 DCAERO CCC[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000179501599 261112767 /nfs/dbraw/zinc/11/27/67/261112767.db2.gz ONLKUAKLRAGHCC-KBPBESRZSA-N 1 0 313.442 0.813 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000183969904 261117442 /nfs/dbraw/zinc/11/74/42/261117442.db2.gz HYASIOGCEAFMMS-UHFFFAOYSA-N 1 0 317.389 0.432 10 0 DCAERO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000354758258 261267923 /nfs/dbraw/zinc/26/79/23/261267923.db2.gz FAPOUIGKIUSXSG-JKSUJKDBSA-N 1 0 320.437 0.901 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362274664 262017765 /nfs/dbraw/zinc/01/77/65/262017765.db2.gz FOCJAODZIWSUPW-CYBMUJFWSA-N 1 0 306.391 0.587 10 0 DCAERO Cc1nc(C)c(C(=O)N2CCN([C@@H]3CCCCNC3=O)CC2)o1 ZINC000363040513 262095799 /nfs/dbraw/zinc/09/57/99/262095799.db2.gz WLQOPANLJWDOSU-CYBMUJFWSA-N 1 0 320.393 0.718 10 0 DCAERO CC(C)(C)OC(=O)N1CC(CCO)(NC[C@H]2CCC[NH2+]C2)C1 ZINC000397951243 262164365 /nfs/dbraw/zinc/16/43/65/262164365.db2.gz 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CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000332718016 276166734 /nfs/dbraw/zinc/16/67/34/276166734.db2.gz IVHQXEUGAHGDNJ-OLZOCXBDSA-N 1 0 308.426 0.971 10 0 DCAERO CN1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(=O)N1 ZINC000538681173 287881188 /nfs/dbraw/zinc/88/11/88/287881188.db2.gz WOIDVPLFPQCTFZ-CQSZACIVSA-N 1 0 302.378 0.357 10 0 DCAERO C[NH+](C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000153134632 276789214 /nfs/dbraw/zinc/78/92/14/276789214.db2.gz MHLUFCGWFOWYDW-NWDGAFQWSA-N 1 0 304.350 0.004 10 0 DCAERO C[NH+](C)CCN1C[C@@H](C(=O)N2CCOc3ccccc32)CC1=O ZINC000074256475 276789934 /nfs/dbraw/zinc/78/99/34/276789934.db2.gz WTGATAOABIQVEB-ZDUSSCGKSA-N 1 0 317.389 0.822 10 0 DCAERO Cn1ncc(N2CC[C@@H]([NH+](C)C)C2)c(Br)c1=O ZINC000301271533 276837872 /nfs/dbraw/zinc/83/78/72/276837872.db2.gz XYGGOAITSLAJCR-MRVPVSSYSA-N 1 0 301.188 0.683 10 0 DCAERO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000408059351 277149606 /nfs/dbraw/zinc/14/96/06/277149606.db2.gz 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/nfs/dbraw/zinc/88/59/14/332885914.db2.gz QQQHSBHCEYPNEK-CYBMUJFWSA-N 1 0 318.377 0.147 10 0 DCAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000187959940 333002274 /nfs/dbraw/zinc/00/22/74/333002274.db2.gz DNXSIIKFIHQVHD-CJNGLKHVSA-N 1 0 308.426 0.861 10 0 DCAERO COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@H](C)COC)CC1 ZINC000187173260 333228614 /nfs/dbraw/zinc/22/86/14/333228614.db2.gz NRJFOCNEKLYUKB-LSDHHAIUSA-N 1 0 315.458 0.428 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1CCC(F)(F)CC1 ZINC000216308200 333353975 /nfs/dbraw/zinc/35/39/75/333353975.db2.gz ILZHIOXMPVBHAF-UHFFFAOYSA-N 1 0 303.353 0.702 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000266745752 519453198 /nfs/dbraw/zinc/45/31/98/519453198.db2.gz MABGCBBQINHYDX-LLVKDONJSA-N 1 0 320.393 0.674 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)CNC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000155652369 519696639 /nfs/dbraw/zinc/69/66/39/519696639.db2.gz XDMBEAWHCKXLGC-JSGCOSHPSA-N 1 0 322.409 0.924 10 0 DCAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156597646 519711239 /nfs/dbraw/zinc/71/12/39/519711239.db2.gz PNEHBUKCCBWOOO-NSHDSACASA-N 1 0 308.386 0.538 10 0 DCAERO C[NH+](C)C[C@H]1CN(CCn2cnc3ccccc3c2=O)CCO1 ZINC000117340147 521882345 /nfs/dbraw/zinc/88/23/45/521882345.db2.gz NQEXMDSSUNOIEF-AWEZNQCLSA-N 1 0 316.405 0.659 10 0 DCAERO COCCn1ccc(C(=O)NCCCC[NH+]2CCOCC2)n1 ZINC000189038227 522124541 /nfs/dbraw/zinc/12/45/41/522124541.db2.gz UMGFVNSVCJCUJL-UHFFFAOYSA-N 1 0 310.398 0.372 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000156799722 522441616 /nfs/dbraw/zinc/44/16/16/522441616.db2.gz CEOROWUPNGXXBS-UHFFFAOYSA-N 1 0 309.410 0.180 10 0 DCAERO COc1cc(CNC[C@](C)(O)C[NH+](C)C)cc2c1OCCO2 ZINC000131406427 522462762 /nfs/dbraw/zinc/46/27/62/522462762.db2.gz MJEBYLOSFQNUJG-INIZCTEOSA-N 1 0 310.394 0.869 10 0 DCAERO COC1(C(=O)NCC[S@](=O)Cc2ccccc2)CC[NH2+]CC1 ZINC000157268224 522551200 /nfs/dbraw/zinc/55/12/00/522551200.db2.gz HJVSBXWUMJZNNW-JOCHJYFZSA-N 1 0 324.446 0.820 10 0 DCAERO COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247093139 522610475 /nfs/dbraw/zinc/61/04/75/522610475.db2.gz IESUOZXEKLRDNP-XQQFMLRXSA-N 1 0 312.414 0.016 10 0 DCAERO CCc1nn(C)c(OC)c1CNC(=O)[C@H]([NH3+])CCSC ZINC000158186759 522672582 /nfs/dbraw/zinc/67/25/82/522672582.db2.gz STOYVJMTYBUPGB-SNVBAGLBSA-N 1 0 300.428 0.688 10 0 DCAERO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000112985662 522833026 /nfs/dbraw/zinc/83/30/26/522833026.db2.gz DZZPACCWPNBKJP-OLZOCXBDSA-N 1 0 311.426 0.470 10 0 DCAERO COc1cc(OC)cc([C@H](O)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000246249897 522883919 /nfs/dbraw/zinc/88/39/19/522883919.db2.gz JTEWDTMJDYZKNH-JVLSTEMRSA-N 1 0 308.378 0.981 10 0 DCAERO COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245979282 523219436 /nfs/dbraw/zinc/21/94/36/523219436.db2.gz CNJMLNQCTWPUCG-NEPJUHHUSA-N 1 0 322.413 0.653 10 0 DCAERO COCCN(C)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000191154314 523638095 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[NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000246580936 527369759 /nfs/dbraw/zinc/36/97/59/527369759.db2.gz VNNFBTFKXZXXKN-AXFHLTTASA-N 1 0 314.332 0.948 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000147739714 545809530 /nfs/dbraw/zinc/80/95/30/545809530.db2.gz HUKQJDJZEKICEZ-LBPRGKRZSA-N 1 0 311.407 0.548 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000154816697 545840597 /nfs/dbraw/zinc/84/05/97/545840597.db2.gz JNGGEKPWPLXVJS-VXGBXAGGSA-N 1 0 319.409 0.973 10 0 DCAERO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c(F)c1 ZINC000156105670 545845992 /nfs/dbraw/zinc/84/59/92/545845992.db2.gz OEWMKDATGPMEIG-NSHDSACASA-N 1 0 315.370 0.896 10 0 DCAERO CC(C)(C)n1cc(CN2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000178888936 545896673 /nfs/dbraw/zinc/89/66/73/545896673.db2.gz MQWWIADLLKEIMX-OAHLLOKOSA-N 1 0 319.453 0.892 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000261750819 545976731 /nfs/dbraw/zinc/97/67/31/545976731.db2.gz MOWJTVYAKKRKLQ-CHWSQXEVSA-N 1 0 317.455 0.197 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)cc(Br)c1 ZINC000261898923 545977849 /nfs/dbraw/zinc/97/78/49/545977849.db2.gz ADOIMPVWPWJOEC-LDYMZIIASA-N 1 0 317.158 0.898 10 0 DCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262085432 545978233 /nfs/dbraw/zinc/97/82/33/545978233.db2.gz FVTOZGRLLUJPNS-BHYGNILZSA-N 1 0 306.406 0.914 10 0 DCAERO Cc1nc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)nn1-c1ccc(F)cc1 ZINC000262079985 545978255 /nfs/dbraw/zinc/97/82/55/545978255.db2.gz CHLVZNYCIPZGDF-ZWNOBZJWSA-N 1 0 319.340 0.025 10 0 DCAERO O=C(CSc1ccc2c(c1)CCC2)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262138912 545979453 /nfs/dbraw/zinc/97/94/53/545979453.db2.gz HBCBUOWGLDQSSZ-UKRRQHHQSA-N 1 0 306.431 0.964 10 0 DCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nn1-c1ccccc1 ZINC000262094646 545979710 /nfs/dbraw/zinc/97/97/10/545979710.db2.gz DHRXVUCAQCGDTQ-SWLSCSKDSA-N 1 0 300.362 0.491 10 0 DCAERO 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/nfs/dbraw/zinc/98/45/90/545984590.db2.gz VDWHIJXXJRXPKE-SMDDNHRTSA-N 1 0 316.361 0.395 10 0 DCAERO O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262413301 545985674 /nfs/dbraw/zinc/98/56/74/545985674.db2.gz ZKAMKTSZKIWBPJ-HIFRSBDPSA-N 1 0 317.389 0.274 10 0 DCAERO O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332793518 546061650 /nfs/dbraw/zinc/06/16/50/546061650.db2.gz OMNLSZVJDFDSFL-IGQOVBAYSA-N 1 0 320.397 0.144 10 0 DCAERO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000333049034 546070824 /nfs/dbraw/zinc/07/08/24/546070824.db2.gz BSSDACBGARDKHY-FVCCEPFGSA-N 1 0 302.440 0.861 10 0 DCAERO C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000333364708 546078773 /nfs/dbraw/zinc/07/87/73/546078773.db2.gz LRDQGGDHRTYNPY-YJNKXOJESA-N 1 0 310.442 0.347 10 0 DCAERO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nc[nH]n2)C1 ZINC000333551905 546085062 /nfs/dbraw/zinc/08/50/62/546085062.db2.gz JNSLECKTTGCVJU-TUAOUCFPSA-N 1 0 308.386 0.370 10 0 DCAERO CCC[C@H](C)C(=O)NC[C@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073663 547659018 /nfs/dbraw/zinc/65/90/18/547659018.db2.gz SIVUESGIZXBXAQ-OBJOEFQTSA-N 1 0 302.440 0.706 10 0 DCAERO CC(C)(C)OC(=O)N1CCN[C@@H](c2cnnn2[C@@H]2CC[NH2+]C2)C1 ZINC000685952192 548748709 /nfs/dbraw/zinc/74/87/09/548748709.db2.gz ZVFHWVQVIBETLL-VXGBXAGGSA-N 1 0 322.413 0.694 10 0 DCAERO CCN1[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[C@@H]([NH3+])CS1(=O)=O ZINC000725256573 548749180 /nfs/dbraw/zinc/74/91/80/548749180.db2.gz VPBXKPWQJYDDDT-GXFFZTMASA-N 1 0 319.427 0.359 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000717359232 667640410 /nfs/dbraw/zinc/64/04/10/667640410.db2.gz JYESRJZTQIIYNC-YVECIDJPSA-N 1 0 302.415 0.963 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000230862031 660716521 /nfs/dbraw/zinc/71/65/21/660716521.db2.gz ODYFGBWBFRQMNQ-UHFFFAOYSA-N 1 0 306.819 0.742 10 0 DCAERO C[C@H]([NH3+])c1nc(-c2nc([C@H]3CN4CCN3CC4)no2)cs1 ZINC000094506164 661154754 /nfs/dbraw/zinc/15/47/54/661154754.db2.gz BGUNKXAVXGQZMK-WCBMZHEXSA-N 1 0 306.395 0.885 10 0 DCAERO COCCN1CC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503558 661283112 /nfs/dbraw/zinc/28/31/12/661283112.db2.gz WCUCOQZZPYHUIG-STQMWFEESA-N 1 0 315.414 0.848 10 0 DCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000713479154 657658536 /nfs/dbraw/zinc/65/85/36/657658536.db2.gz PPYJYQKNUMHAEM-CLPYTZEMSA-N 1 0 301.408 0.082 10 0 DCAERO C[NH2+]CCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000262455924 658194552 /nfs/dbraw/zinc/19/45/52/658194552.db2.gz WOFYKDJGNCEPCH-UHFFFAOYSA-N 1 0 301.341 0.532 10 0 DCAERO CCCN1C(=O)C(=O)N(CN(C)C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000177158382 658706607 /nfs/dbraw/zinc/70/66/07/658706607.db2.gz QJCXTGBBGAWKLH-GFCCVEGCSA-N 1 0 310.398 0.561 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723663900 658897555 /nfs/dbraw/zinc/89/75/55/658897555.db2.gz GZLIIMICRRXQIL-SYQHCUMBSA-N 1 0 302.440 0.815 10 0 DCAERO CC1([C@@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)OCCO1 ZINC000248467502 659222022 /nfs/dbraw/zinc/22/20/22/659222022.db2.gz SVVVWJCQCOSXQQ-CABCVRRESA-N 1 0 314.426 0.155 10 0 DCAERO Cn1nccc1C1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261615713 661324769 /nfs/dbraw/zinc/32/47/69/661324769.db2.gz BSHIUNMRZFBDNH-OAHLLOKOSA-N 1 0 306.410 0.880 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ccnc(C(F)(F)F)c1 ZINC000261666547 661371960 /nfs/dbraw/zinc/37/19/60/661371960.db2.gz KYLFBBLMVNVEKV-UHFFFAOYSA-N 1 0 302.300 0.968 10 0 DCAERO C[NH2+][C@H](C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000261702614 661457774 /nfs/dbraw/zinc/45/77/74/661457774.db2.gz JIMSLAZVYKHMKD-OAHLLOKOSA-N 1 0 304.438 0.528 10 0 DCAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1 ZINC000262314637 662322330 /nfs/dbraw/zinc/32/23/30/662322330.db2.gz CBBYHPNTNYKGCR-LBPRGKRZSA-N 1 0 307.350 0.500 10 0 DCAERO CS(=O)(=O)C1(C(=O)N[C@H]2COc3ccccc32)CC[NH2+]CC1 ZINC000262581920 662492900 /nfs/dbraw/zinc/49/29/00/662492900.db2.gz URHYEETVCALIFS-LBPRGKRZSA-N 1 0 324.402 0.403 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000342750300 662600319 /nfs/dbraw/zinc/60/03/19/662600319.db2.gz BAYOJGFZZKEDHS-FPMFFAJLSA-N 1 0 311.451 0.993 10 0 DCAERO Cc1noc([C@@]2(O)CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)n1 ZINC000897572876 662905579 /nfs/dbraw/zinc/90/55/79/662905579.db2.gz KFSHOMRQPWMLBX-XHDPSFHLSA-N 1 0 308.382 0.671 10 0 DCAERO O=C(NC[C@H](O)C(F)(F)F)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729620084 662905608 /nfs/dbraw/zinc/90/56/08/662905608.db2.gz VBLKOKZEXMHSFO-AEJSXWLSSA-N 1 0 311.304 0.072 10 0 DCAERO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915527 663114203 /nfs/dbraw/zinc/11/42/03/663114203.db2.gz POXCFEXHLUVBTE-OLZOCXBDSA-N 1 0 303.362 0.930 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250929684 663138613 /nfs/dbraw/zinc/13/86/13/663138613.db2.gz CCVPTPBJXSMQKW-RWMBFGLXSA-N 1 0 317.455 0.149 10 0 DCAERO Cc1nn(C)c2cnn(CCC(=O)NCC[NH+]3CCCC3)c12 ZINC000223863741 664425599 /nfs/dbraw/zinc/42/55/99/664425599.db2.gz DRXNFBHROATVFE-UHFFFAOYSA-N 1 0 304.398 0.680 10 0 DCAERO CC(=O)NCCCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171561546 664610122 /nfs/dbraw/zinc/61/01/22/664610122.db2.gz UBSLVCOQGNHEFM-KRWDZBQOSA-N 1 0 305.422 0.864 10 0 DCAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC000232500197 664639748 /nfs/dbraw/zinc/63/97/48/664639748.db2.gz JBAQXUUTICRSCQ-LLVKDONJSA-N 1 0 321.443 0.525 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C(=O)NC2(CCOCC2)C1=O ZINC000153245866 664805891 /nfs/dbraw/zinc/80/58/91/664805891.db2.gz POSADNKOHKFDIX-QWHCGFSZSA-N 1 0 322.409 0.213 10 0 DCAERO CCOCC[NH+]1CCN(Cn2c3ccccc3n(C)c2=O)CC1 ZINC000732180872 664907074 /nfs/dbraw/zinc/90/70/74/664907074.db2.gz QRVUTDZZTWTWMP-UHFFFAOYSA-N 1 0 318.421 0.952 10 0 DCAERO COCC[N@@H+]1CCN(CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154811796 665183266 /nfs/dbraw/zinc/18/32/66/665183266.db2.gz VVAGUQDDMMQNRC-NSHDSACASA-N 1 0 311.348 0.708 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccnn1C ZINC000186574617 666522956 /nfs/dbraw/zinc/52/29/56/666522956.db2.gz UFABBUPJAYPXCZ-AWEZNQCLSA-N 1 0 309.414 0.373 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1Cl ZINC000700390232 666715896 /nfs/dbraw/zinc/71/58/96/666715896.db2.gz BCCVAPFJDZMDDI-UHFFFAOYSA-N 1 0 318.830 0.932 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000700886325 666778529 /nfs/dbraw/zinc/77/85/29/666778529.db2.gz HTONVNKTBLFIJL-DCAQKATOSA-N 1 0 306.453 0.163 10 0 DCAERO CSc1ncc(Cl)c(C(=O)N(C)CC[N@H+](C)CCO)n1 ZINC000701095625 666803977 /nfs/dbraw/zinc/80/39/77/666803977.db2.gz UBZOZPRTBMLJAR-UHFFFAOYSA-N 1 0 318.830 0.848 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000702832764 667001027 /nfs/dbraw/zinc/00/10/27/667001027.db2.gz RCIHBAXNGGUIPZ-RYUDHWBXSA-N 1 0 300.399 0.840 10 0 DCAERO CS(=O)(=O)CCCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709875357 667445856 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O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN(c2ccccn2)CC1 ZINC000042341404 669827797 /nfs/dbraw/zinc/82/77/97/669827797.db2.gz CUXXXAHQGZHBQX-ZDUSSCGKSA-N 1 0 310.423 0.285 10 0 DCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480463 670149258 /nfs/dbraw/zinc/14/92/58/670149258.db2.gz WFMVZSXJGDUEQL-IONNQARKSA-N 1 0 301.188 0.939 10 0 DCAERO C[C@@]1(C(F)(F)F)CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712798664 670150704 /nfs/dbraw/zinc/15/07/04/670150704.db2.gz YKSRRXGLWCKSGY-ZJUUUORDSA-N 1 0 316.345 0.721 10 0 DCAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000714243480 670182334 /nfs/dbraw/zinc/18/23/34/670182334.db2.gz JKIKALLLCMVOIE-YFKTTZPYSA-N 1 0 309.453 0.507 10 0 DCAERO C[NH+](C)[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@@H]1n1ccnn1 ZINC000859759727 671144092 /nfs/dbraw/zinc/14/40/92/671144092.db2.gz WVLDQUUWHATUKA-CVEARBPZSA-N 1 0 319.384 0.897 10 0 DCAERO O=S1(=O)CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718346818 685304618 /nfs/dbraw/zinc/30/46/18/685304618.db2.gz IWZKKRCCVGVRRT-OLZOCXBDSA-N 1 0 304.481 0.733 10 0 DCAERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccns2)C[C@H]1C(F)(F)F ZINC000720852674 685316178 /nfs/dbraw/zinc/31/61/78/685316178.db2.gz QVYFQQWGXQRHIC-PHDIDXHHSA-N 1 0 301.315 0.653 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ncc(Cl)s1 ZINC000719401231 685310013 /nfs/dbraw/zinc/31/00/13/685310013.db2.gz LRLQYQRSIPVUOI-JTQLQIEISA-N 1 0 304.803 0.512 10 0 DCAERO COCCOC[C@H](O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720841276 685315311 /nfs/dbraw/zinc/31/53/11/685315311.db2.gz RHZNSDFMTQYKPE-MXWKQRLJSA-N 1 0 300.321 0.079 10 0 DCAERO CO[C@@]1(C[NH2+]Cc2ccnn2C(C)C)CCS(=O)(=O)C1 ZINC000721226575 685318617 /nfs/dbraw/zinc/31/86/17/685318617.db2.gz BFHOKZXAIDNKAC-CYBMUJFWSA-N 1 0 301.412 0.757 10 0 DCAERO CO[C@]1(C[NH2+][C@H](C)c2cn(C)nc2C)CCS(=O)(=O)C1 ZINC000721229638 685318637 /nfs/dbraw/zinc/31/86/37/685318637.db2.gz NEUZWBHDQNXHBQ-MFKMUULPSA-N 1 0 301.412 0.583 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@H]1C ZINC000248396192 685174677 /nfs/dbraw/zinc/17/46/77/685174677.db2.gz JZOWYYZKEFVRQD-OLZOCXBDSA-N 1 0 309.414 0.059 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1C ZINC000249152608 685178286 /nfs/dbraw/zinc/17/82/86/685178286.db2.gz YIUWCZIQJDDING-OLZOCXBDSA-N 1 0 320.437 0.745 10 0 DCAERO C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251739106 685185655 /nfs/dbraw/zinc/18/56/55/685185655.db2.gz KTAFKISHSBFVTH-MCIONIFRSA-N 1 0 301.456 0.627 10 0 DCAERO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@H]1CCCCO1 ZINC000381993486 685239941 /nfs/dbraw/zinc/23/99/41/685239941.db2.gz HEHZLPYGBNFNHO-CHWSQXEVSA-N 1 0 306.428 0.196 10 0 DCAERO Brc1c[nH]c(C[NH2+]CCCN2CCOCC2)n1 ZINC000383306279 685242345 /nfs/dbraw/zinc/24/23/45/685242345.db2.gz PWRPVNHESRPWBV-UHFFFAOYSA-N 1 0 303.204 0.984 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC000062264856 1172571749 /nfs/dbraw/zinc/57/17/49/1172571749.db2.gz 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CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000182112147 199388727 /nfs/dbraw/zinc/38/87/27/199388727.db2.gz XGWHNYMOKSAKPZ-LBPRGKRZSA-N 1 0 305.382 0.276 10 0 DCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000182110456 199388729 /nfs/dbraw/zinc/38/87/29/199388729.db2.gz IXRSJTTYPCNSPI-TZMCWYRMSA-N 1 0 308.378 0.968 10 0 DCAERO O[C@@H](CNc1nnnn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000174685208 198370247 /nfs/dbraw/zinc/37/02/47/198370247.db2.gz KFFHDFQUJSTOAQ-AWEZNQCLSA-N 1 0 302.382 0.921 10 0 DCAERO CC[C@H]1CN(c2ccc(C(=O)OC)nn2)CC[N@@H+]1CCOC ZINC000174736828 198378571 /nfs/dbraw/zinc/37/85/71/198378571.db2.gz AXQHQADKNOEXPY-LBPRGKRZSA-N 1 0 308.382 0.810 10 0 DCAERO CCC[N@@H+](CC(=O)NC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085798154 283100103 /nfs/dbraw/zinc/10/01/03/283100103.db2.gz HEYLFWFCPAHHQU-GFCCVEGCSA-N 1 0 305.444 0.116 10 0 DCAERO CC[NH2+]CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000236906568 202064446 /nfs/dbraw/zinc/06/44/46/202064446.db2.gz 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[NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cnc4n3CCC4)C[C@H]21 ZINC000262101694 396099208 /nfs/dbraw/zinc/09/92/08/396099208.db2.gz SXHCSPUAOXKYLS-QJPTWQEYSA-N 1 0 310.423 0.577 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000070187974 396100481 /nfs/dbraw/zinc/10/04/81/396100481.db2.gz NNMUNLJGHCNUKF-TXEJJXNPSA-N 1 0 305.444 0.401 10 0 DCAERO COC(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000070303092 396101198 /nfs/dbraw/zinc/10/11/98/396101198.db2.gz OEGVMEICCDLOOZ-LBPRGKRZSA-N 1 0 312.391 0.514 10 0 DCAERO [NH3+]C[C@@H]1CC[C@H](Cn2cc(I)cn2)O1 ZINC000070678961 396103260 /nfs/dbraw/zinc/10/32/60/396103260.db2.gz XDMZBJZXSYQSQQ-DTWKUNHWSA-N 1 0 307.135 0.994 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000175777651 396142049 /nfs/dbraw/zinc/14/20/49/396142049.db2.gz CGKRTKOOKSPGAD-UHFFFAOYSA-N 1 0 310.402 0.483 10 0 DCAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000171110096 396107329 /nfs/dbraw/zinc/10/73/29/396107329.db2.gz FVHSWVJPXYAHDE-NSHDSACASA-N 1 0 313.423 0.901 10 0 DCAERO Cn1c(=O)cc(C[NH+]2CCC(Cn3cccn3)CC2)n(C)c1=O ZINC000171605098 396119550 /nfs/dbraw/zinc/11/95/50/396119550.db2.gz IPYDKSVCQMSYGD-UHFFFAOYSA-N 1 0 317.393 0.193 10 0 DCAERO O=C(CSCC(=O)c1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262294560 396119746 /nfs/dbraw/zinc/11/97/46/396119746.db2.gz OXZKHXOECKCSNL-CHWSQXEVSA-N 1 0 308.403 0.299 10 0 DCAERO CC(C)(C)NC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262314097 396122236 /nfs/dbraw/zinc/12/22/36/396122236.db2.gz ZKIZITZVEKLGFQ-CYBMUJFWSA-N 1 0 319.409 0.652 10 0 DCAERO CCOC(=O)CCS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174004275 396136872 /nfs/dbraw/zinc/13/68/72/396136872.db2.gz KCSRNAZHBCEQSF-NWDGAFQWSA-N 1 0 306.428 0.588 10 0 DCAERO [NH3+]C1(C(=O)N2CCCN(c3nccs3)CC2)CCOCC1 ZINC000261908109 396077833 /nfs/dbraw/zinc/07/78/33/396077833.db2.gz SNRIDCWWWPZREN-UHFFFAOYSA-N 1 0 310.423 0.690 10 0 DCAERO C[C@@H](N1CCN(C(=O)C2([NH3+])CCOCC2)CC1)C(F)(F)F ZINC000261921114 396079738 /nfs/dbraw/zinc/07/97/38/396079738.db2.gz UYPXDHJXLYQQQM-SNVBAGLBSA-N 1 0 309.332 0.589 10 0 DCAERO COc1ccc(OC)c(CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261952127 396083169 /nfs/dbraw/zinc/08/31/69/396083169.db2.gz NETVEORMSOUYAS-UHFFFAOYSA-N 1 0 307.394 0.567 10 0 DCAERO C[C@H](CNC(=O)C1C[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000263231934 396207315 /nfs/dbraw/zinc/20/73/15/396207315.db2.gz AXVKGCDALWFPPR-CQSZACIVSA-N 1 0 302.422 0.533 10 0 DCAERO Cc1nc(CN2CCC(CNC(=O)C3C[NH2+]C3)CC2)oc1C ZINC000263231927 396207573 /nfs/dbraw/zinc/20/75/73/396207573.db2.gz AXSOYHGWBYHLDX-UHFFFAOYSA-N 1 0 306.410 0.839 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263258078 396209323 /nfs/dbraw/zinc/20/93/23/396209323.db2.gz ROKGWQOGIYXTRL-BONVTDFDSA-N 1 0 323.441 0.184 10 0 DCAERO CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C(=O)N1CCOCC1 ZINC000262482693 396145134 /nfs/dbraw/zinc/14/51/34/396145134.db2.gz SGBPZCZLMKPOOS-QPSCCSFWSA-N 1 0 323.437 0.661 10 0 DCAERO CC(C)(C[NH3+])NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000262513042 396149275 /nfs/dbraw/zinc/14/92/75/396149275.db2.gz PRBOPLJRACRAIR-UHFFFAOYSA-N 1 0 304.799 0.967 10 0 DCAERO CN(Cc1cnn(C)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262531998 396151772 /nfs/dbraw/zinc/15/17/72/396151772.db2.gz PSFOCXSSFHXIJL-DVOMOZLQSA-N 1 0 306.410 0.911 10 0 DCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270660 396210392 /nfs/dbraw/zinc/21/03/92/396210392.db2.gz SDGMUVDVCPHOGP-HOCLYGCPSA-N 1 0 304.369 0.740 10 0 DCAERO NC(=O)NCc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000262614483 396161771 /nfs/dbraw/zinc/16/17/71/396161771.db2.gz GFHDOVLJAIRALS-GFCCVEGCSA-N 1 0 304.394 0.974 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262622713 396163570 /nfs/dbraw/zinc/16/35/70/396163570.db2.gz ZTCKOSWUZZQQRE-VXGBXAGGSA-N 1 0 307.398 0.560 10 0 DCAERO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1C[NH2+]C1 ZINC000263274065 396211143 /nfs/dbraw/zinc/21/11/43/396211143.db2.gz IOZVYOCUPDRZAK-OAHLLOKOSA-N 1 0 307.369 0.535 10 0 DCAERO COc1cc(OC)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262755925 396179116 /nfs/dbraw/zinc/17/91/16/396179116.db2.gz HWCWFSKSAUUFRG-QMTHXVAHSA-N 1 0 314.407 0.980 10 0 DCAERO O=C(NC[C@H]1COC2(CCCC2)O1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262764243 396180241 /nfs/dbraw/zinc/18/02/41/396180241.db2.gz GUPZABBGOQSJHV-JTQLQIEISA-N 1 0 306.366 0.471 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCO1 ZINC000177677112 396181320 /nfs/dbraw/zinc/18/13/20/396181320.db2.gz JFVNOAPKPPZLKR-CYBMUJFWSA-N 1 0 309.341 0.553 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000262836311 396186388 /nfs/dbraw/zinc/18/63/88/396186388.db2.gz QUXDUCQWECEWML-VOAKCMCISA-N 1 0 307.394 0.276 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000262853634 396187821 /nfs/dbraw/zinc/18/78/21/396187821.db2.gz KJPPJWFCLCMREM-SECBINFHSA-N 1 0 322.333 0.985 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000075961083 396189827 /nfs/dbraw/zinc/18/98/27/396189827.db2.gz PCJLEKMNGSQGTO-JKSUJKDBSA-N 1 0 308.422 0.815 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000075962899 396191164 /nfs/dbraw/zinc/19/11/64/396191164.db2.gz BVMPMJJDCOFYBW-KRWDZBQOSA-N 1 0 319.449 1.000 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2n[nH]nc2c1 ZINC000178513181 396197384 /nfs/dbraw/zinc/19/73/84/396197384.db2.gz WKXBHYUTAGPHAZ-LBPRGKRZSA-N 1 0 303.366 0.535 10 0 DCAERO COCCCNC(=O)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181653898 396240782 /nfs/dbraw/zinc/24/07/82/396240782.db2.gz SQFGYABDUBSWOI-NSHDSACASA-N 1 0 312.332 0.774 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(c2nnnn2-c2ccc(C)cc2)CC1 ZINC000078522939 396246480 /nfs/dbraw/zinc/24/64/80/396246480.db2.gz PTFSFAHOMBLDLM-CQSZACIVSA-N 1 0 316.409 0.864 10 0 DCAERO COc1ncnc(OC)c1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263298565 396213068 /nfs/dbraw/zinc/21/30/68/396213068.db2.gz WTGKQNPRWDTDAZ-MRVPVSSYSA-N 1 0 306.326 0.120 10 0 DCAERO CCc1occc1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000280671447 396214089 /nfs/dbraw/zinc/21/40/89/396214089.db2.gz GFVSMKXHJCTWIU-LLVKDONJSA-N 1 0 309.366 0.100 10 0 DCAERO O=C(CNC(=O)C1C[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000263348294 396215057 /nfs/dbraw/zinc/21/50/57/396215057.db2.gz ZVYKFEGOJWOLSB-UHFFFAOYSA-N 1 0 315.417 0.803 10 0 DCAERO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O ZINC000077265456 396216536 /nfs/dbraw/zinc/21/65/36/396216536.db2.gz OHGIUTXDLJJRRD-MCIONIFRSA-N 1 0 308.382 0.007 10 0 DCAERO COc1ncnc(N(C)C)c1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179136245 396221957 /nfs/dbraw/zinc/22/19/57/396221957.db2.gz UEKCAUHHCHNQNX-NSHDSACASA-N 1 0 320.397 0.863 10 0 DCAERO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180108863 396230782 /nfs/dbraw/zinc/23/07/82/396230782.db2.gz GDPRKDORWJBTFY-GXTWGEPZSA-N 1 0 311.407 0.097 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2cnn(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000184946864 396311649 /nfs/dbraw/zinc/31/16/49/396311649.db2.gz OSRGKPOKGSUKQP-TZMCWYRMSA-N 1 0 309.414 0.407 10 0 DCAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)on2)cn1 ZINC000185011880 396314491 /nfs/dbraw/zinc/31/44/91/396314491.db2.gz IOWYEPVZZGRFPX-CQSZACIVSA-N 1 0 317.393 0.982 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000185042677 396315253 /nfs/dbraw/zinc/31/52/53/396315253.db2.gz BMZCVEQWKZWJBV-NWANDNLSSA-N 1 0 317.389 0.621 10 0 DCAERO CN(C)c1cc[nH+]cc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000184380155 396293586 /nfs/dbraw/zinc/29/35/86/396293586.db2.gz FZIVMUOGILXAFY-UHFFFAOYSA-N 1 0 302.338 0.031 10 0 DCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccnn2C)CC1 ZINC000184856703 396308371 /nfs/dbraw/zinc/30/83/71/396308371.db2.gz WKIUMDNDIWIXMF-ZDUSSCGKSA-N 1 0 323.441 0.654 10 0 DCAERO CCOCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185547552 396330089 /nfs/dbraw/zinc/33/00/89/396330089.db2.gz JCYZIYHKLOTHBP-UONOGXRCSA-N 1 0 301.431 0.900 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@]23CCOC3=O)C1 ZINC000186634056 396354201 /nfs/dbraw/zinc/35/42/01/396354201.db2.gz CGOLFTLMVMRDOH-OCCSQVGLSA-N 1 0 316.423 0.440 10 0 DCAERO COc1ccc(O)cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000186702304 396356190 /nfs/dbraw/zinc/35/61/90/396356190.db2.gz DQBUFGJBCTWSJV-LBPRGKRZSA-N 1 0 307.394 0.767 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000186339761 396348340 /nfs/dbraw/zinc/34/83/40/396348340.db2.gz JGWMFEPYAOVIHO-LLVKDONJSA-N 1 0 304.354 0.293 10 0 DCAERO C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496434 396351212 /nfs/dbraw/zinc/35/12/12/396351212.db2.gz GXTGBSIEGPMEMV-JKOKRWQUSA-N 1 0 318.377 0.392 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC[NH2+]1 ZINC000188437927 396382403 /nfs/dbraw/zinc/38/24/03/396382403.db2.gz QVHKEHIMEGBIPH-ZBFHGGJFSA-N 1 0 315.417 0.898 10 0 DCAERO Cc1nn(C)c(C)c1CCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188756505 396385877 /nfs/dbraw/zinc/38/58/77/396385877.db2.gz HJHBEZJBSYVWOB-GFCCVEGCSA-N 1 0 308.426 0.495 10 0 DCAERO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188987296 396389260 /nfs/dbraw/zinc/38/92/60/396389260.db2.gz HEMSQUZJNJPAOM-SCDSUCTJSA-N 1 0 318.352 0.601 10 0 DCAERO C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000189098369 396390522 /nfs/dbraw/zinc/39/05/22/396390522.db2.gz QQOMQZIMYXXURI-SECBINFHSA-N 1 0 304.334 0.579 10 0 DCAERO O[C@@H](Cn1cccn1)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189711174 396397933 /nfs/dbraw/zinc/39/79/33/396397933.db2.gz WFEICLDSYXPMHM-CQSZACIVSA-N 1 0 316.409 0.667 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnnn1CC(F)(F)F ZINC000190891997 396412403 /nfs/dbraw/zinc/41/24/03/396412403.db2.gz XRSCPZHEFFGGGK-NXEZZACHSA-N 1 0 304.320 0.904 10 0 DCAERO COc1cccc(COC[C@@H](O)C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191157595 396415763 /nfs/dbraw/zinc/41/57/63/396415763.db2.gz AJCFCMGHZCOEIJ-HNNXBMFYSA-N 1 0 322.405 0.737 10 0 DCAERO COCCCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000193179981 396445461 /nfs/dbraw/zinc/44/54/61/396445461.db2.gz 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ZINC000580905588 396510189 /nfs/dbraw/zinc/51/01/89/396510189.db2.gz MWZPFVGFRZKYRO-GJZGRUSLSA-N 1 0 321.425 0.676 10 0 DCAERO CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000580942079 396512481 /nfs/dbraw/zinc/51/24/81/396512481.db2.gz CIXGMGIHUVXMIP-MWLCHTKSSA-N 1 0 304.341 0.246 10 0 DCAERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]([NH3+])CCC(N)=O)C2)cc1 ZINC000193263822 396447673 /nfs/dbraw/zinc/44/76/73/396447673.db2.gz YWWDHOIUHBCUOM-UXIGCNINSA-N 1 0 319.405 0.992 10 0 DCAERO CC(=O)c1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1O ZINC000581128318 396527884 /nfs/dbraw/zinc/52/78/84/396527884.db2.gz RYKSFUYCWHQMLJ-UHFFFAOYSA-N 1 0 319.361 0.099 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370211 396548621 /nfs/dbraw/zinc/54/86/21/396548621.db2.gz MWSGYLYVYDVGAX-YOEHRIQHSA-N 1 0 322.453 0.141 10 0 DCAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000296115463 396705379 /nfs/dbraw/zinc/70/53/79/396705379.db2.gz IKIUZEVGJZOHLR-TYNCELHUSA-N 1 0 318.373 0.489 10 0 DCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000296115476 396705693 /nfs/dbraw/zinc/70/56/93/396705693.db2.gz IKIUZEVGJZOHLR-XUJVJEKNSA-N 1 0 318.373 0.489 10 0 DCAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nn2c(nccc2=O)s1 ZINC000302550248 396720675 /nfs/dbraw/zinc/72/06/75/396720675.db2.gz QBMDJQSJDMREOB-JTQLQIEISA-N 1 0 323.422 0.432 10 0 DCAERO C[C@@H](Cc1cccs1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000311986193 396761375 /nfs/dbraw/zinc/76/13/75/396761375.db2.gz NQCBCIBUPPODPN-QWRGUYRKSA-N 1 0 304.437 0.587 10 0 DCAERO CC[NH+](CC)CCN1CCN(c2cncc3nc(C)nn32)CC1 ZINC000328625868 396824970 /nfs/dbraw/zinc/82/49/70/396824970.db2.gz DOXXFNFRHQVUDO-UHFFFAOYSA-N 1 0 317.441 0.897 10 0 DCAERO CC(=O)N[C@H](C(=O)NCCN(C)CCC[NH+](C)C)C(C)C ZINC000617768618 396825331 /nfs/dbraw/zinc/82/53/31/396825331.db2.gz MSFVZFYTTYEKMS-AWEZNQCLSA-N 1 0 300.447 0.147 10 0 DCAERO CN(C)c1ncc(C[NH2+]CCCN2CCCS2(=O)=O)s1 ZINC000596676502 396816052 /nfs/dbraw/zinc/81/60/52/396816052.db2.gz UUINMLZJLDWWKU-UHFFFAOYSA-N 1 0 318.468 0.724 10 0 DCAERO COC(=O)[C@H]1CC[C@H]1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000376138730 396883466 /nfs/dbraw/zinc/88/34/66/396883466.db2.gz DWBFWCMNTJFOCM-YUELXQCFSA-N 1 0 324.421 0.897 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000591178556 396884838 /nfs/dbraw/zinc/88/48/38/396884838.db2.gz DDFKSAZPCKXHCJ-ZDUSSCGKSA-N 1 0 317.455 0.403 10 0 DCAERO C[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[N@@H+]1C1CC1 ZINC000332802198 396895285 /nfs/dbraw/zinc/89/52/85/396895285.db2.gz ZELYWSHTMFVOMA-AUZPSNTRSA-N 1 0 320.397 0.142 10 0 DCAERO COC[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376485452 396936211 /nfs/dbraw/zinc/93/62/11/396936211.db2.gz OCOIKJGNIFCLQL-FUDCBSFHSA-N 1 0 311.426 0.469 10 0 DCAERO CC(=O)C(C)(C)CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618306993 396953030 /nfs/dbraw/zinc/95/30/30/396953030.db2.gz RORFPALCYLOFMF-UHFFFAOYSA-N 1 0 313.442 0.860 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2c(C)noc2C)[C@](C)(C[NH3+])C1 ZINC000630363688 396995230 /nfs/dbraw/zinc/99/52/30/396995230.db2.gz QGJSENDKOPTQHD-PWSUYJOCSA-N 1 0 303.384 0.418 10 0 DCAERO Cc1cnn(C)c1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000377399225 397076894 /nfs/dbraw/zinc/07/68/94/397076894.db2.gz KLLYZJMWKVYETN-INIZCTEOSA-N 1 0 308.426 0.700 10 0 DCAERO O=C(NCc1n[nH]cc1Br)[C@H]1CC(F)(F)CN1 ZINC000573244155 397149025 /nfs/dbraw/zinc/14/90/25/397149025.db2.gz SYJQTDQHNHQKAB-ZCFIWIBFSA-N 1 0 309.114 0.786 10 0 DCAERO c1c(C[NH2+]CCCO[C@H]2CCOC2)nnn1C[C@@H]1CCOC1 ZINC000631090205 397168601 /nfs/dbraw/zinc/16/86/01/397168601.db2.gz WRZVSNHOWAFRNC-ZFWWWQNUSA-N 1 0 310.398 0.600 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000630846620 397116818 /nfs/dbraw/zinc/11/68/18/397116818.db2.gz MVRCPJJSCPPPTR-HZPDHXFCSA-N 1 0 323.437 0.711 10 0 DCAERO C[C@@H]1CCOCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000378519333 397250480 /nfs/dbraw/zinc/25/04/80/397250480.db2.gz MXYPPUNMSXZETF-CQSZACIVSA-N 1 0 312.458 0.833 10 0 DCAERO CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381034401 397271328 /nfs/dbraw/zinc/27/13/28/397271328.db2.gz CBEVSTUYOUUAJV-JSGCOSHPSA-N 1 0 307.394 0.514 10 0 DCAERO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])ccc21 ZINC000381474564 397272443 /nfs/dbraw/zinc/27/24/43/397272443.db2.gz MAASECIUSOCRCO-VHSXEESVSA-N 1 0 311.407 0.610 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(C(F)(F)F)CC1 ZINC000381860857 397272667 /nfs/dbraw/zinc/27/26/67/397272667.db2.gz PZDGQANIXAEELL-SNVBAGLBSA-N 1 0 316.345 0.579 10 0 DCAERO CCOC(=O)C1(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000408077254 397346094 /nfs/dbraw/zinc/34/60/94/397346094.db2.gz VKUMAQDZFOMUJS-QWHCGFSZSA-N 1 0 312.410 0.897 10 0 DCAERO O=C(CN1CCOCC2(CC2)C1)NC(=O)NCC(F)(F)F ZINC000408175713 397348991 /nfs/dbraw/zinc/34/89/91/397348991.db2.gz XYFLMGGZSFEWAX-UHFFFAOYSA-N 1 0 309.288 0.487 10 0 DCAERO CN1CCC2(CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)C1=O ZINC000368393719 397420294 /nfs/dbraw/zinc/42/02/94/397420294.db2.gz PTBODOWDYDBNQS-NSHDSACASA-N 1 0 324.343 0.871 10 0 DCAERO O[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)Cn1ccnn1 ZINC000459703665 397433475 /nfs/dbraw/zinc/43/34/75/397433475.db2.gz GOYBOMNGFOCCBV-OAHLLOKOSA-N 1 0 316.340 0.754 10 0 DCAERO NS(=O)(=O)[C@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000370254265 397462389 /nfs/dbraw/zinc/46/23/89/397462389.db2.gz ZDXDPEAURRFUTK-ZDUSSCGKSA-N 1 0 302.371 0.957 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)CN1CCO[C@@H](C(F)(F)F)C1 ZINC000606936276 397691239 /nfs/dbraw/zinc/69/12/39/397691239.db2.gz IVCKCMGMQHZJIL-QJPTWQEYSA-N 1 0 313.316 0.806 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cn1 ZINC000608704568 397748527 /nfs/dbraw/zinc/74/85/27/397748527.db2.gz LWSDAVRKKHWLRY-CQSZACIVSA-N 1 0 320.441 0.736 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)Cn2c(C)cc(C)nc2=O)[N@H+](C)C1 ZINC000330590959 286091006 /nfs/dbraw/zinc/09/10/06/286091006.db2.gz QEJVVADXIPKJDT-KBPBESRZSA-N 1 0 322.409 0.038 10 0 DCAERO COCCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408025754 292324220 /nfs/dbraw/zinc/32/42/20/292324220.db2.gz BCZFKTUJOOERPO-QWHCGFSZSA-N 1 0 306.428 0.148 10 0 DCAERO C[NH+](C)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000056967405 158024362 /nfs/dbraw/zinc/02/43/62/158024362.db2.gz GODVUUPTXAROPO-CYBMUJFWSA-N 1 0 309.435 0.959 10 0 DCAERO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCNC(=O)CC1 ZINC000068465443 158043883 /nfs/dbraw/zinc/04/38/83/158043883.db2.gz CHOMNILOQHQEOK-OAHLLOKOSA-N 1 0 301.390 1.000 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000072798181 158052006 /nfs/dbraw/zinc/05/20/06/158052006.db2.gz JPNVWTQOCAHKDY-OAHLLOKOSA-N 1 0 309.454 0.680 10 0 DCAERO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000078729145 158074501 /nfs/dbraw/zinc/07/45/01/158074501.db2.gz DOQNODPCMMVGEI-DZGCQCFKSA-N 1 0 318.421 0.886 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083710783 158088564 /nfs/dbraw/zinc/08/85/64/158088564.db2.gz RXLWVMAMLLZJBK-ZDUSSCGKSA-N 1 0 324.429 0.689 10 0 DCAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)NCC3(C)COC3)C2)CC1 ZINC000091855273 158111411 /nfs/dbraw/zinc/11/14/11/158111411.db2.gz WHBPLWVWKKKUGI-HNNXBMFYSA-N 1 0 324.469 0.834 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCCC(=O)OC ZINC000092625865 158115752 /nfs/dbraw/zinc/11/57/52/158115752.db2.gz POYLTCIARWZULJ-LBPRGKRZSA-N 1 0 306.428 0.686 10 0 DCAERO COC(=O)C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701131 158121337 /nfs/dbraw/zinc/12/13/37/158121337.db2.gz RKJKRGPQPGOISR-LBPRGKRZSA-N 1 0 306.428 0.541 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000093990179 158122956 /nfs/dbraw/zinc/12/29/56/158122956.db2.gz ZTRPJEGWNQCDSO-NEPJUHHUSA-N 1 0 322.409 0.450 10 0 DCAERO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000093990970 158123044 /nfs/dbraw/zinc/12/30/44/158123044.db2.gz USMNBIXCNJMRCC-KBPBESRZSA-N 1 0 310.442 0.979 10 0 DCAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000102190737 158126512 /nfs/dbraw/zinc/12/65/12/158126512.db2.gz AKYMVRHEWWDCKC-AWEZNQCLSA-N 1 0 307.394 0.821 10 0 DCAERO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC(F)(F)F)CC1 ZINC000103175783 158127956 /nfs/dbraw/zinc/12/79/56/158127956.db2.gz LKVXFQRVUWBWQV-UHFFFAOYSA-N 1 0 322.331 0.498 10 0 DCAERO CCOCC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818024 158130383 /nfs/dbraw/zinc/13/03/83/158130383.db2.gz MBXJPEWIJXBRAB-HNNXBMFYSA-N 1 0 313.442 0.276 10 0 DCAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NC1CCOCC1 ZINC000105887324 158132501 /nfs/dbraw/zinc/13/25/01/158132501.db2.gz XTUFIZRJMRUNLO-UHFFFAOYSA-N 1 0 306.410 0.890 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCN1C(=O)CN(C)C1=O ZINC000113223394 158144594 /nfs/dbraw/zinc/14/45/94/158144594.db2.gz BUHJLIYHEGVFBN-CHWSQXEVSA-N 1 0 322.409 0.356 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CS(=O)(=O)CC ZINC000113591104 158148440 /nfs/dbraw/zinc/14/84/40/158148440.db2.gz SLPXXSSJXWCACD-VXGBXAGGSA-N 1 0 307.460 0.839 10 0 DCAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc1 ZINC000114415677 158153034 /nfs/dbraw/zinc/15/30/34/158153034.db2.gz OEPKFFMLEDZONJ-OAHLLOKOSA-N 1 0 318.421 0.971 10 0 DCAERO CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788642 158166882 /nfs/dbraw/zinc/16/68/82/158166882.db2.gz KNMYNCIRRSFOHQ-RYUDHWBXSA-N 1 0 300.403 0.003 10 0 DCAERO Cc1cnn(CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000118073205 158175876 /nfs/dbraw/zinc/17/58/76/158175876.db2.gz JQLIDRWAGJHUMM-AWEZNQCLSA-N 1 0 308.430 0.127 10 0 DCAERO CC(C)[C@H](CNC(=O)CCc1ccnn1C)[NH+]1CCN(C)CC1 ZINC000119391509 158187078 /nfs/dbraw/zinc/18/70/78/158187078.db2.gz RBHQACJBWCHXNO-INIZCTEOSA-N 1 0 321.469 0.741 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCC(C)(C)CO)CCO1 ZINC000122687686 158222852 /nfs/dbraw/zinc/22/28/52/158222852.db2.gz GEPFKAAPCRCZOG-ZDUSSCGKSA-N 1 0 301.431 0.757 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000122795396 158223660 /nfs/dbraw/zinc/22/36/60/158223660.db2.gz JJUPSQICDQHSMC-MJBXVCDLSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000126933038 158269127 /nfs/dbraw/zinc/26/91/27/158269127.db2.gz ZXLCZCGFWDQJPM-QWRGUYRKSA-N 1 0 303.428 0.298 10 0 DCAERO C[C@H]1C[C@@H](N(C)C(=O)CCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000127668229 158275708 /nfs/dbraw/zinc/27/57/08/158275708.db2.gz KPPZRALCHWWVAE-KBPBESRZSA-N 1 0 311.426 0.567 10 0 DCAERO CCC1(CO)CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000128062918 158278477 /nfs/dbraw/zinc/27/84/77/158278477.db2.gz YGSBRSHMTYKLRE-ZDUSSCGKSA-N 1 0 311.426 0.195 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000129274045 158287576 /nfs/dbraw/zinc/28/75/76/158287576.db2.gz QSSHWQFLWGPZEE-TXEJJXNPSA-N 1 0 305.444 0.320 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129661643 158291396 /nfs/dbraw/zinc/29/13/96/158291396.db2.gz OAVZGKHDAJVPCH-FOSCPWQOSA-N 1 0 300.362 0.729 10 0 DCAERO CCN(C)C(=O)CC[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000130344747 158295198 /nfs/dbraw/zinc/29/51/98/158295198.db2.gz JOMLGRFMWKJQEF-UHFFFAOYSA-N 1 0 307.398 0.476 10 0 DCAERO CCOCC[N@@H+]1CCN(c2cncc(OCCO)n2)C[C@@H]1CC ZINC000133331530 158318407 /nfs/dbraw/zinc/31/84/07/158318407.db2.gz WIPVASNJRUQKCT-AWEZNQCLSA-N 1 0 324.425 0.785 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2cncc(OCCO)n2)CC1 ZINC000133332715 158318548 /nfs/dbraw/zinc/31/85/48/158318548.db2.gz NLHDVBGCXJFAGE-CYBMUJFWSA-N 1 0 324.425 0.377 10 0 DCAERO C[NH2+][C@H]1CCCN(C(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000134116163 158324090 /nfs/dbraw/zinc/32/40/90/158324090.db2.gz CUSORTKKKDGHJB-ZDUSSCGKSA-N 1 0 305.378 0.635 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000134199152 158324686 /nfs/dbraw/zinc/32/46/86/158324686.db2.gz ZMZGOUKARPTIIW-GFCCVEGCSA-N 1 0 302.382 0.494 10 0 DCAERO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152668636 158350016 /nfs/dbraw/zinc/35/00/16/158350016.db2.gz WCBLSXZVUDAISM-SNVBAGLBSA-N 1 0 304.350 0.944 10 0 DCAERO C[C@@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)C1C[NH2+]C1 ZINC000164425550 158363471 /nfs/dbraw/zinc/36/34/71/158363471.db2.gz TURKFZGWVFIQPT-LLVKDONJSA-N 1 0 307.419 0.888 10 0 DCAERO CCCNC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000165173596 158364771 /nfs/dbraw/zinc/36/47/71/158364771.db2.gz RPQHXWDJSGLFCW-UONOGXRCSA-N 1 0 324.469 0.611 10 0 DCAERO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)n1 ZINC000168282537 158372320 /nfs/dbraw/zinc/37/23/20/158372320.db2.gz VDGRDBFALQEJRO-HIFRSBDPSA-N 1 0 310.373 0.429 10 0 DCAERO C[C@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)cn2)C[C@H](C)O1 ZINC000170756793 158375439 /nfs/dbraw/zinc/37/54/39/158375439.db2.gz CUZWQDRQFSKGDB-STQMWFEESA-N 1 0 306.410 0.873 10 0 DCAERO CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170862822 158377034 /nfs/dbraw/zinc/37/70/34/158377034.db2.gz NPOLTLSMCXRPEH-GFCCVEGCSA-N 1 0 311.407 0.371 10 0 DCAERO C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)n1cncn1 ZINC000170953339 158378005 /nfs/dbraw/zinc/37/80/05/158378005.db2.gz PEOZNAIUEDGJEX-LSDHHAIUSA-N 1 0 320.441 0.468 10 0 DCAERO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000171446356 158383010 /nfs/dbraw/zinc/38/30/10/158383010.db2.gz ZXDAQMINIBNJGR-UHFFFAOYSA-N 1 0 324.410 0.310 10 0 DCAERO CCc1nnc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1C ZINC000171933032 158388985 /nfs/dbraw/zinc/38/89/85/158388985.db2.gz FUIDPFYQUUEGGG-HNNXBMFYSA-N 1 0 320.485 0.979 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000172272974 158393140 /nfs/dbraw/zinc/39/31/40/158393140.db2.gz RJLVXSOXPCUVBZ-OCCSQVGLSA-N 1 0 314.430 0.263 10 0 DCAERO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC000194010199 158592892 /nfs/dbraw/zinc/59/28/92/158592892.db2.gz NGEBBQFSQUHPHT-CQSZACIVSA-N 1 0 304.394 0.635 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000246969149 158674761 /nfs/dbraw/zinc/67/47/61/158674761.db2.gz GOPVBPPRDDOLOB-BFHYXJOUSA-N 1 0 301.431 0.803 10 0 DCAERO COC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261813556 158741725 /nfs/dbraw/zinc/74/17/25/158741725.db2.gz AAOPCGWVCGYCOJ-MJBXVCDLSA-N 1 0 309.410 0.224 10 0 DCAERO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261898991 158751240 /nfs/dbraw/zinc/75/12/40/158751240.db2.gz ADVLVXQQVFWWJT-GXTWGEPZSA-N 1 0 317.393 0.631 10 0 DCAERO Cc1n[nH]cc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261939898 158756592 /nfs/dbraw/zinc/75/65/92/158756592.db2.gz DNQASBFYSMMVPE-UHFFFAOYSA-N 1 0 308.407 0.910 10 0 DCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cccc(CO)c2)cn1 ZINC000261948980 158757487 /nfs/dbraw/zinc/75/74/87/158757487.db2.gz OATHLEFGLLDKPI-CVEARBPZSA-N 1 0 314.389 0.532 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000262069989 158769655 /nfs/dbraw/zinc/76/96/55/158769655.db2.gz BOFJICMCVBWYRI-TZMCWYRMSA-N 1 0 303.362 0.124 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccccc1F ZINC000262080211 158770611 /nfs/dbraw/zinc/77/06/11/158770611.db2.gz CIGTWXASUPXXLR-TVQRCGJNSA-N 1 0 304.325 0.526 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cc1F ZINC000262111192 158774524 /nfs/dbraw/zinc/77/45/24/158774524.db2.gz FIVIOQRKBKAYHI-CPCISQLKSA-N 1 0 317.158 0.898 10 0 DCAERO CCc1onc(C)c1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000262231127 158788526 /nfs/dbraw/zinc/78/85/26/158788526.db2.gz QKCVPWGEGYPABR-LLVKDONJSA-N 1 0 308.382 0.473 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1-c1ccccc1 ZINC000262248647 158789744 /nfs/dbraw/zinc/78/97/44/158789744.db2.gz LJVFZUUEHOMVOO-DOMZBBRYSA-N 1 0 300.362 0.491 10 0 DCAERO CN(C)C(=O)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262255523 158790810 /nfs/dbraw/zinc/79/08/10/158790810.db2.gz LVOPJGVAICNGPJ-DGCLKSJQSA-N 1 0 306.366 0.090 10 0 DCAERO Cc1ccc(NC(=O)N(C)C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262323922 158797740 /nfs/dbraw/zinc/79/77/40/158797740.db2.gz RPNZPOMTRKDRMP-SMDDNHRTSA-N 1 0 320.393 0.399 10 0 DCAERO COc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C(N)=O)cc1OC ZINC000262505950 158819418 /nfs/dbraw/zinc/81/94/18/158819418.db2.gz JEEYHLNYBYIMNW-QMMMGPOBSA-N 1 0 307.350 0.597 10 0 DCAERO Cn1nc(CC(=O)N[C@@](C)(C[NH3+])C2CC2)c2ccccc2c1=O ZINC000262628699 158830342 /nfs/dbraw/zinc/83/03/42/158830342.db2.gz MWTPERWNHHZYHQ-KRWDZBQOSA-N 1 0 314.389 0.720 10 0 DCAERO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000263236740 158864140 /nfs/dbraw/zinc/86/41/40/158864140.db2.gz BQMPLMIBHTUACF-UHFFFAOYSA-N 1 0 302.783 0.449 10 0 DCAERO Cc1nn2c(CNC[C@@H]3C[NH2+]C[C@@H]3O)c(C(C)C)nc2s1 ZINC000263263110 158867224 /nfs/dbraw/zinc/86/72/24/158867224.db2.gz RFQLLCHARGLHTI-PWSUYJOCSA-N 1 0 309.439 0.893 10 0 DCAERO COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000328749634 159026463 /nfs/dbraw/zinc/02/64/63/159026463.db2.gz MKFDCMKEJGFAIC-CQSZACIVSA-N 1 0 319.405 0.813 10 0 DCAERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4nnc(C(F)F)n4n3)C[C@@H]21 ZINC000328961829 159047047 /nfs/dbraw/zinc/04/70/47/159047047.db2.gz QGMZTVOXIBXZNL-VHSXEESVSA-N 1 0 324.335 0.971 10 0 DCAERO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000329158724 159069025 /nfs/dbraw/zinc/06/90/25/159069025.db2.gz XDIWFYWMCXNQQW-ZDUSSCGKSA-N 1 0 313.365 0.425 10 0 DCAERO CN1CCO[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167787 159069399 /nfs/dbraw/zinc/06/93/99/159069399.db2.gz ILPCHMWZONKTLV-WDEREUQCSA-N 1 0 324.381 0.089 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CCO1 ZINC000329262383 159077790 /nfs/dbraw/zinc/07/77/90/159077790.db2.gz ZKOQWVLTTINHJV-JSGCOSHPSA-N 1 0 309.410 0.319 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)nn1 ZINC000329557989 159101700 /nfs/dbraw/zinc/10/17/00/159101700.db2.gz LKDCBUFIJZUXBH-CDGCEXEKSA-N 1 0 323.397 0.029 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000329606062 159106477 /nfs/dbraw/zinc/10/64/77/159106477.db2.gz ZPVAJKHOBSZMHN-QWHCGFSZSA-N 1 0 317.455 0.211 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000329725124 159114967 /nfs/dbraw/zinc/11/49/67/159114967.db2.gz DKEKTLRUCYPOPM-JSGCOSHPSA-N 1 0 317.455 0.558 10 0 DCAERO Cc1c([C@H]2[C@H]([NH2+]Cc3cnn(C)c3)CC(=O)N2C)cnn1C ZINC000330295723 159157340 /nfs/dbraw/zinc/15/73/40/159157340.db2.gz JOAAFKWGZOSQIM-HIFRSBDPSA-N 1 0 302.382 0.524 10 0 DCAERO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc[nH]c(=O)c2C1 ZINC000330299924 159157382 /nfs/dbraw/zinc/15/73/82/159157382.db2.gz IFTPIWITPGTDKI-CQSZACIVSA-N 1 0 302.378 0.062 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC[C@H]1CCCO1 ZINC000332759096 159213259 /nfs/dbraw/zinc/21/32/59/159213259.db2.gz VVUHSSWHKOCMMZ-ZGFBFQLVSA-N 1 0 309.410 0.317 10 0 DCAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000368489473 159397868 /nfs/dbraw/zinc/39/78/68/159397868.db2.gz BETUWPXLIYSYQR-IOASZLSFSA-N 1 0 311.426 0.478 10 0 DCAERO Cc1cc([C@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)[nH]n1 ZINC000407982088 160002240 /nfs/dbraw/zinc/00/22/40/160002240.db2.gz XEHUCQGFCBNAQK-GOEBONIOSA-N 1 0 317.437 0.814 10 0 DCAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCNC1=O ZINC000407984124 160002806 /nfs/dbraw/zinc/00/28/06/160002806.db2.gz HPNKZKFUJSZXLV-XJFOESAGSA-N 1 0 310.442 0.931 10 0 DCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408034451 160017852 /nfs/dbraw/zinc/01/78/52/160017852.db2.gz UBHCKCOENCVQLC-STQMWFEESA-N 1 0 318.425 0.182 10 0 DCAERO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2c[nH]cn2)CC1 ZINC000408035702 160018433 /nfs/dbraw/zinc/01/84/33/160018433.db2.gz ZDOMFEPGPNKRCX-OAHLLOKOSA-N 1 0 303.410 0.506 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)N(C)C1 ZINC000408039716 160019768 /nfs/dbraw/zinc/01/97/68/160019768.db2.gz XQKPFSWSHWCEJN-CRWXNKLISA-N 1 0 311.426 0.469 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)N(C)C1 ZINC000408039719 160019851 /nfs/dbraw/zinc/01/98/51/160019851.db2.gz XQKPFSWSHWCEJN-XUXIUFHCSA-N 1 0 311.426 0.469 10 0 DCAERO C[NH+](C)CC1(C(=O)N2CCC[C@@](O)(C(N)=O)C2)CCCCC1 ZINC000408057019 160025198 /nfs/dbraw/zinc/02/51/98/160025198.db2.gz OQZTUZQXDKIUSJ-INIZCTEOSA-N 1 0 311.426 0.337 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1C ZINC000408070833 160027942 /nfs/dbraw/zinc/02/79/42/160027942.db2.gz OJOPNXMYACGTNU-NEPJUHHUSA-N 1 0 308.430 0.106 10 0 DCAERO Cc1nnc(CN(C)CC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1C ZINC000408070834 160028331 /nfs/dbraw/zinc/02/83/31/160028331.db2.gz OJOPNXMYACGTNU-NWDGAFQWSA-N 1 0 308.430 0.106 10 0 DCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000408145130 160047502 /nfs/dbraw/zinc/04/75/02/160047502.db2.gz QFDBHRGOPUKGEA-MWLCHTKSSA-N 1 0 313.379 0.093 10 0 DCAERO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000408237670 160066849 /nfs/dbraw/zinc/06/68/49/160066849.db2.gz RIJWVCHQYRRVIN-OLZOCXBDSA-N 1 0 319.471 0.804 10 0 DCAERO O=S(=O)(NCCC[NH+]1CCC(O)CC1)NC1CCCC1 ZINC000408379761 160095763 /nfs/dbraw/zinc/09/57/63/160095763.db2.gz OTTXNVWXKUIFKA-UHFFFAOYSA-N 1 0 305.444 0.200 10 0 DCAERO C[C@@H]1C[N@H+](CC2(O)CCC2)CCN1c1nccn2cnnc12 ZINC000408392237 160099138 /nfs/dbraw/zinc/09/91/38/160099138.db2.gz GOKPNLKMUCUUOB-GFCCVEGCSA-N 1 0 302.382 0.550 10 0 DCAERO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCO2)cn1 ZINC000408405052 160102034 /nfs/dbraw/zinc/10/20/34/160102034.db2.gz HQQFFIOKKSQDTA-HIFRSBDPSA-N 1 0 319.409 0.740 10 0 DCAERO COC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132024356 287003312 /nfs/dbraw/zinc/00/33/12/287003312.db2.gz XVPHJFNQMDTPFI-OLZOCXBDSA-N 1 0 318.439 0.543 10 0 DCAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C(N)=O)cn1C ZINC000133562070 287011499 /nfs/dbraw/zinc/01/14/99/287011499.db2.gz XBBMYBNUTVNKQD-GFCCVEGCSA-N 1 0 310.398 0.211 10 0 DCAERO CCOC(=O)CCS(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151821960 287036408 /nfs/dbraw/zinc/03/64/08/287036408.db2.gz WQTMKNDGRHABNI-UHFFFAOYSA-N 1 0 320.455 0.979 10 0 DCAERO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@](C)(O)C3)ccn2)CC1 ZINC000152631247 287043074 /nfs/dbraw/zinc/04/30/74/287043074.db2.gz OBVGNJXXIXBVHF-QGZVFWFLSA-N 1 0 318.421 0.820 10 0 DCAERO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152714014 287043648 /nfs/dbraw/zinc/04/36/48/287043648.db2.gz MQZXYCHZGVGNOW-SWLSCSKDSA-N 1 0 316.446 0.293 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000153224804 287048491 /nfs/dbraw/zinc/04/84/91/287048491.db2.gz YUDQDOGKYQIHNB-LBPRGKRZSA-N 1 0 307.398 0.832 10 0 DCAERO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nc(N(C)C)no1 ZINC000192772004 287059941 /nfs/dbraw/zinc/05/99/41/287059941.db2.gz NDADOURALBLJCL-UHFFFAOYSA-N 1 0 310.446 0.593 10 0 DCAERO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237265285 287066370 /nfs/dbraw/zinc/06/63/70/287066370.db2.gz XTSZSNCEYWQEJI-IHRRRGAJSA-N 1 0 311.426 0.470 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245439012 287069105 /nfs/dbraw/zinc/06/91/05/287069105.db2.gz 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ZINC000248486144 287097649 /nfs/dbraw/zinc/09/76/49/287097649.db2.gz KZNKVQYRWWLXOO-UONOGXRCSA-N 1 0 324.429 0.155 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CCO)c2ccco2)C1 ZINC000248988009 287104348 /nfs/dbraw/zinc/10/43/48/287104348.db2.gz KMGSTPYOJLOWNS-QWHCGFSZSA-N 1 0 316.423 0.964 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248689524 287100291 /nfs/dbraw/zinc/10/02/91/287100291.db2.gz IQJZZDAQRPFFQM-MGPQQGTHSA-N 1 0 301.431 0.754 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2C)[C@@H](C)C1 ZINC000249112418 287106219 /nfs/dbraw/zinc/10/62/19/287106219.db2.gz ATNDIRMCYKWHGR-AAEUAGOBSA-N 1 0 321.425 0.856 10 0 DCAERO CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249574980 287114409 /nfs/dbraw/zinc/11/44/09/287114409.db2.gz ABLLGJAPMZDHMG-KGLIPLIRSA-N 1 0 304.456 0.895 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000249768977 287118149 /nfs/dbraw/zinc/11/81/49/287118149.db2.gz 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CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)ccn(C)c2=O)C1 ZINC000179553840 416190924 /nfs/dbraw/zinc/19/09/24/416190924.db2.gz ASJIMPAJRJVLQO-GFCCVEGCSA-N 1 0 320.393 0.233 10 0 DCAERO COC(=O)Cn1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000179866619 416192185 /nfs/dbraw/zinc/19/21/85/416192185.db2.gz GEAVVZQGYWTVOP-NWDGAFQWSA-N 1 0 321.381 0.757 10 0 DCAERO COc1cc(CN2CCCN(S(C)(=O)=O)CC2)ccc1O ZINC000180060490 416193966 /nfs/dbraw/zinc/19/39/66/416193966.db2.gz NNAYUHUZADCLBB-UHFFFAOYSA-N 1 0 314.407 0.868 10 0 DCAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000182196369 416216182 /nfs/dbraw/zinc/21/61/82/416216182.db2.gz GQVDYCHJWZJVIZ-TZMCWYRMSA-N 1 0 323.418 0.998 10 0 DCAERO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000182570225 416226268 /nfs/dbraw/zinc/22/62/68/416226268.db2.gz JYUFUYPKOZDNSL-UHFFFAOYSA-N 1 0 312.414 0.542 10 0 DCAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000182546097 416226471 /nfs/dbraw/zinc/22/64/71/416226471.db2.gz 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/nfs/dbraw/zinc/25/51/23/416255123.db2.gz YQFQEVMPXODLPN-OAHLLOKOSA-N 1 0 310.398 0.437 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186280338 416256712 /nfs/dbraw/zinc/25/67/12/416256712.db2.gz NZQATKULDWPZIO-QGZVFWFLSA-N 1 0 313.401 0.996 10 0 DCAERO Cc1nnc(CN(C)CCC[NH+]2CCN(C)CC2)n1C1CC1 ZINC000182965595 416235317 /nfs/dbraw/zinc/23/53/17/416235317.db2.gz RCQCBGPRTKVBJM-UHFFFAOYSA-N 1 0 306.458 0.991 10 0 DCAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183025887 416235454 /nfs/dbraw/zinc/23/54/54/416235454.db2.gz MLZATQUQOHJHEY-NWDGAFQWSA-N 1 0 300.428 0.412 10 0 DCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)CC2 ZINC000183219805 416237424 /nfs/dbraw/zinc/23/74/24/416237424.db2.gz AXRVKAUNCQMOTH-NEPJUHHUSA-N 1 0 312.439 0.883 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1snnc1C(C)(C)C ZINC000191971246 416294102 /nfs/dbraw/zinc/29/41/02/416294102.db2.gz JCKOGTRJVSVMCL-UHFFFAOYSA-N 1 0 300.428 0.880 10 0 DCAERO O=C(Nc1cnns1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000192014253 416296984 /nfs/dbraw/zinc/29/69/84/416296984.db2.gz UGEXPGGMUUOUKE-LLVKDONJSA-N 1 0 323.422 0.954 10 0 DCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247224144 416332622 /nfs/dbraw/zinc/33/26/22/416332622.db2.gz WKIQJSZOYNDWOJ-LSDHHAIUSA-N 1 0 312.458 0.833 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000247447477 416332943 /nfs/dbraw/zinc/33/29/43/416332943.db2.gz SLZPHXRLWFSLAK-OWCLPIDISA-N 1 0 324.469 0.831 10 0 DCAERO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248507711 416333635 /nfs/dbraw/zinc/33/36/35/416333635.db2.gz XONZZJOCDZPDPA-VHSXEESVSA-N 1 0 318.361 0.703 10 0 DCAERO C[C@H](CO)[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@H](C)O ZINC000248897262 416333924 /nfs/dbraw/zinc/33/39/24/416333924.db2.gz GRQLTIHHSGVLPR-NEPJUHHUSA-N 1 0 312.435 0.696 10 0 DCAERO O=C(CCOC1C[NH2+]C1)N1CCNC[C@H]1c1cccc(F)c1 ZINC000262059851 416335820 /nfs/dbraw/zinc/33/58/20/416335820.db2.gz VTQIXXYNHSJENM-HNNXBMFYSA-N 1 0 307.369 0.677 10 0 DCAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000262556146 416336925 /nfs/dbraw/zinc/33/69/25/416336925.db2.gz UGKRCVVRLRNGSJ-AWEZNQCLSA-N 1 0 303.410 0.903 10 0 DCAERO CNC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000264908222 416339798 /nfs/dbraw/zinc/33/97/98/416339798.db2.gz DQYGRPDXIDMWDJ-WCQYABFASA-N 1 0 302.378 0.750 10 0 DCAERO C[C@@H](O)C1CCN(CC(O)C[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000194510203 416323823 /nfs/dbraw/zinc/32/38/23/416323823.db2.gz KKJPLUJOWDJWDY-ZIAGYGMSSA-N 1 0 314.470 0.533 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000194644396 416324349 /nfs/dbraw/zinc/32/43/49/416324349.db2.gz MYTZNQDYQZQUAI-CQSZACIVSA-N 1 0 319.405 0.782 10 0 DCAERO CCCCOC[C@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000195183771 416325342 /nfs/dbraw/zinc/32/53/42/416325342.db2.gz XOIIBOLLVVSFIY-CQSZACIVSA-N 1 0 322.471 0.520 10 0 DCAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000237903327 416329095 /nfs/dbraw/zinc/32/90/95/416329095.db2.gz YXTQARBZIHRBQU-RYUDHWBXSA-N 1 0 316.361 0.804 10 0 DCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3OCCO)C[C@@H]21 ZINC000458415919 416464930 /nfs/dbraw/zinc/46/49/30/416464930.db2.gz DRJKBIXVIGBAOY-CABCVRRESA-N 1 0 319.405 0.903 10 0 DCAERO C[C@@H](CNC(=O)NCCCc1nnc2ccccn21)[NH+](C)C ZINC000458488858 416474316 /nfs/dbraw/zinc/47/43/16/416474316.db2.gz CNYRAZHAKVBGBQ-LBPRGKRZSA-N 1 0 304.398 0.911 10 0 DCAERO COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000583617367 416478744 /nfs/dbraw/zinc/47/87/44/416478744.db2.gz BJTOUXMWZKXNPX-STQMWFEESA-N 1 0 308.378 0.909 10 0 DCAERO C[C@@H]1CCc2nc(NC(=O)C(=O)NCC[NH+](C)C)sc2C1 ZINC000434595336 416486866 /nfs/dbraw/zinc/48/68/66/416486866.db2.gz HUDFJVWYKKBVQC-SECBINFHSA-N 1 0 310.423 0.884 10 0 DCAERO CC(C)OC(=O)CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000361456169 416438589 /nfs/dbraw/zinc/43/85/89/416438589.db2.gz 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/nfs/dbraw/zinc/67/34/90/416673490.db2.gz GIRGUMZNAOQDTA-CQSZACIVSA-N 1 0 322.409 0.605 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CCCCNC1=O ZINC000369196711 416732852 /nfs/dbraw/zinc/73/28/52/416732852.db2.gz ZBOVISRDQYZSMJ-HUUCEWRRSA-N 1 0 324.469 0.435 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1C[C@@H](C)O ZINC000369736835 416822812 /nfs/dbraw/zinc/82/28/12/416822812.db2.gz DTVJTELKICCTEE-IOASZLSFSA-N 1 0 311.426 0.206 10 0 DCAERO COC[C@H](C)S(=O)(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000631959394 416832460 /nfs/dbraw/zinc/83/24/60/416832460.db2.gz SJWXVDZCMFYGEL-JTQLQIEISA-N 1 0 300.380 0.709 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]n1 ZINC000372051657 416927736 /nfs/dbraw/zinc/92/77/36/416927736.db2.gz PJJFNLIEMWNLRA-GLQYFDAESA-N 1 0 321.425 0.812 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCOCC1 ZINC000624386531 417023415 /nfs/dbraw/zinc/02/34/15/417023415.db2.gz NAMWODDOVDHWTN-UHFFFAOYSA-N 1 0 306.334 0.751 10 0 DCAERO 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/nfs/dbraw/zinc/30/02/25/417300225.db2.gz IWPHXNNCMVQRDB-CHWSQXEVSA-N 1 0 310.394 0.414 10 0 DCAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CCOC(C)C)CC12COC2 ZINC000451136399 417304359 /nfs/dbraw/zinc/30/43/59/417304359.db2.gz NRFQOBQOWLYJEI-UONOGXRCSA-N 1 0 315.410 0.674 10 0 DCAERO CC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000633025162 417323682 /nfs/dbraw/zinc/32/36/82/417323682.db2.gz JBCBRHMLDBFKON-ZWNOBZJWSA-N 1 0 303.362 0.881 10 0 DCAERO O[C@]1(CNC2COCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714596 417533422 /nfs/dbraw/zinc/53/34/22/417533422.db2.gz NQXXFVFJKSOAGS-KRWDZBQOSA-N 1 0 306.406 0.628 10 0 DCAERO C[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)CN1CCOCC1 ZINC000634962976 417550508 /nfs/dbraw/zinc/55/05/08/417550508.db2.gz GNISEJKJKJLZNZ-ZIAGYGMSSA-N 1 0 304.456 0.512 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638771811 417554020 /nfs/dbraw/zinc/55/40/20/417554020.db2.gz RZINWVLDAYIPBL-QJPTWQEYSA-N 1 0 303.428 0.057 10 0 DCAERO 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CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cccn(C)c2=O)CC1 ZINC000358382718 271051535 /nfs/dbraw/zinc/05/15/35/271051535.db2.gz JWDLMTIPDAONEN-UHFFFAOYSA-N 1 0 318.377 0.092 10 0 DCAERO COc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)ncn1 ZINC000359034783 271093146 /nfs/dbraw/zinc/09/31/46/271093146.db2.gz USQYNBWUPHSJCD-UHFFFAOYSA-N 1 0 319.365 0.192 10 0 DCAERO COc1cccc2c1CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)C2 ZINC000459702922 272005596 /nfs/dbraw/zinc/00/55/96/272005596.db2.gz GBYTUWSLRYHENQ-UONOGXRCSA-N 1 0 302.378 0.795 10 0 DCAERO Cn1ncc(Br)c1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000487565276 272041923 /nfs/dbraw/zinc/04/19/23/272041923.db2.gz ZFDTVMRHCWLMLM-NSHDSACASA-N 1 0 303.204 0.339 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000408122150 276167463 /nfs/dbraw/zinc/16/74/63/276167463.db2.gz HZNBGAAMOJUUGK-GFCCVEGCSA-N 1 0 305.444 0.416 10 0 DCAERO CN(C(=O)Nc1nc(C(F)(F)F)cs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333079390 276739448 /nfs/dbraw/zinc/73/94/48/276739448.db2.gz 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C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1N1CCOCC1 ZINC000178860186 277845397 /nfs/dbraw/zinc/84/53/97/277845397.db2.gz VUHWZIQZYYNTRB-FVQBIDKESA-N 1 0 303.406 0.866 10 0 DCAERO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000189886216 278073467 /nfs/dbraw/zinc/07/34/67/278073467.db2.gz NPCICAYZGBBCDK-CTHBEMJXSA-N 1 0 311.426 0.205 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C(=O)N1CCC(C)CC1 ZINC000408083124 278097208 /nfs/dbraw/zinc/09/72/08/278097208.db2.gz IDEDASTUZAFGMS-ZIAGYGMSSA-N 1 0 311.426 0.158 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000329202138 278097790 /nfs/dbraw/zinc/09/77/90/278097790.db2.gz CCUOSYXQPMPIPE-UMVBOHGHSA-N 1 0 306.410 0.359 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248820598 278111237 /nfs/dbraw/zinc/11/12/37/278111237.db2.gz WPPAAUHMVHFPJR-RFQIPJPRSA-N 1 0 314.451 0.815 10 0 DCAERO CC1(C)C[C@@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C(C)(C)O1 ZINC000119691899 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314.430 0.247 10 0 DCAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000150862302 279175389 /nfs/dbraw/zinc/17/53/89/279175389.db2.gz NGJKDAYFNKZZCU-KGLIPLIRSA-N 1 0 311.426 0.457 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000329832866 288132532 /nfs/dbraw/zinc/13/25/32/288132532.db2.gz LCEIPEYYBQKQMX-HKUMRIAESA-N 1 0 317.455 0.413 10 0 DCAERO C[C@H]1CCN(C(=O)CNC(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000261697845 279698794 /nfs/dbraw/zinc/69/87/94/279698794.db2.gz FHCNAPHJVFLRCA-DZGCQCFKSA-N 1 0 303.406 0.931 10 0 DCAERO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000333704095 279799918 /nfs/dbraw/zinc/79/99/18/279799918.db2.gz OPQDHXSSUCCDAB-APIJFGDWSA-N 1 0 312.410 0.550 10 0 DCAERO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@]12CCCO2 ZINC000333677780 280046268 /nfs/dbraw/zinc/04/62/68/280046268.db2.gz OHWBPDRBQLIGBT-DZKIICNBSA-N 1 0 311.426 0.964 10 0 DCAERO O=C([C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1)N1CCOCC1 ZINC000009984084 280131240 /nfs/dbraw/zinc/13/12/40/280131240.db2.gz LHSYPRKWLNMWHW-KBPBESRZSA-N 1 0 309.410 0.226 10 0 DCAERO CC[C@@H]1CN(C(=O)N2CCC(OC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000408283984 280353318 /nfs/dbraw/zinc/35/33/18/280353318.db2.gz RJQUBGGUAJFSGC-ZIAGYGMSSA-N 1 0 313.442 0.994 10 0 DCAERO O=C(NCC1(O)CCCC1)C(=O)Nc1ccc2nccn2c1 ZINC000553071433 288285787 /nfs/dbraw/zinc/28/57/87/288285787.db2.gz QESMZXUWMUTCRN-UHFFFAOYSA-N 1 0 302.334 0.694 10 0 DCAERO CC[C@H]1CN(C(=O)NCCn2ccnc2)CC[N@@H+]1C[C@H](C)O ZINC000248373785 281136682 /nfs/dbraw/zinc/13/66/82/281136682.db2.gz LJIGSFFZMSANEG-KBPBESRZSA-N 1 0 309.414 0.370 10 0 DCAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCS1(=O)=O ZINC000333501155 281186160 /nfs/dbraw/zinc/18/61/60/281186160.db2.gz FLIWQQPHUPARDR-NSHDSACASA-N 1 0 303.428 0.347 10 0 DCAERO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000555627409 288359041 /nfs/dbraw/zinc/35/90/41/288359041.db2.gz ORYQJDBHGTWNHZ-UHFFFAOYSA-N 1 0 307.394 0.722 10 0 DCAERO 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CC(C)OCCCNC(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178189686 527941527 /nfs/dbraw/zinc/94/15/27/527941527.db2.gz QPKOUPUDNHLCEO-CQSZACIVSA-N 1 0 311.426 0.518 10 0 DCAERO CC(C)OCC[NH+]1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000175291329 527964099 /nfs/dbraw/zinc/96/40/99/527964099.db2.gz QXURHUWSBHZABP-OAHLLOKOSA-N 1 0 313.442 0.012 10 0 DCAERO CC[C@@H](C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1)[NH+](C)C ZINC000328628221 529277930 /nfs/dbraw/zinc/27/79/30/529277930.db2.gz GZTVDDVGRIAQRR-NEPJUHHUSA-N 1 0 300.403 0.021 10 0 DCAERO CCn1cnc2c1ncnc2N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285110092 536132798 /nfs/dbraw/zinc/13/27/98/536132798.db2.gz QZJVHIXKRWNBNY-NEPJUHHUSA-N 1 0 302.382 0.756 10 0 DCAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094293805 545727960 /nfs/dbraw/zinc/72/79/60/545727960.db2.gz AVVHAULWSIYXRV-SNVBAGLBSA-N 1 0 311.407 0.783 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000154816617 545839910 /nfs/dbraw/zinc/83/99/10/545839910.db2.gz 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/nfs/dbraw/zinc/48/95/90/658489590.db2.gz ILEKHGYEFJCVHF-XJFOESAGSA-N 1 0 311.426 0.925 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000177156876 658706941 /nfs/dbraw/zinc/70/69/41/658706941.db2.gz VCCMJWRIAWXVRK-CYBMUJFWSA-N 1 0 324.425 0.461 10 0 DCAERO Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@@H](O)[C@@H]3n3cccn3)cc12 ZINC000888077212 658717101 /nfs/dbraw/zinc/71/71/01/658717101.db2.gz SNMSNYUOFVUGTC-RRFJBIMHSA-N 1 0 312.377 0.937 10 0 DCAERO C[C@@H](CNC(=O)N[C@@H](C)c1nnnn1C1CC1)N1CCOCC1 ZINC000190979240 659378918 /nfs/dbraw/zinc/37/89/18/659378918.db2.gz ATDYIYYGLQAQQT-QWRGUYRKSA-N 1 0 323.401 0.089 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCCS(=O)(=O)CC)CC1 ZINC000069823949 665682880 /nfs/dbraw/zinc/68/28/80/665682880.db2.gz HOUVXHDSEIAJOY-UHFFFAOYSA-N 1 0 319.471 0.842 10 0 DCAERO CCS(=O)(CC)=NS(=O)(=O)N1CCCC[C@H]1C[NH2+]C ZINC000311992982 659705643 /nfs/dbraw/zinc/70/56/43/659705643.db2.gz QHVIAUNHFFUFPE-NSHDSACASA-N 1 0 311.473 0.813 10 0 DCAERO 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/nfs/dbraw/zinc/18/32/01/665183201.db2.gz ATMFMPHCVPRDEA-GHMZBOCLSA-N 1 0 311.348 0.442 10 0 DCAERO Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702844015 667010202 /nfs/dbraw/zinc/01/02/02/667010202.db2.gz HRGXKFQMXNLGRJ-CMPLNLGQSA-N 1 0 311.386 0.133 10 0 DCAERO O=C(NCCC1SCCS1)C(=O)N1CCC[NH2+]CC1 ZINC000703262828 667074812 /nfs/dbraw/zinc/07/48/12/667074812.db2.gz SIMKWTNAOCCWIF-UHFFFAOYSA-N 1 0 303.453 0.121 10 0 DCAERO Cn1cc(C[NH2+]CCC2SCCS2)c(=O)n(C)c1=O ZINC000703411500 667087070 /nfs/dbraw/zinc/08/70/70/667087070.db2.gz IWSGELSMIUXCCQ-UHFFFAOYSA-N 1 0 301.437 0.370 10 0 DCAERO CCN(CC(=O)OC)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000707264209 667437339 /nfs/dbraw/zinc/43/73/39/667437339.db2.gz CPONGPRKUDUPMI-AWEZNQCLSA-N 1 0 307.394 0.467 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708201181 667442309 /nfs/dbraw/zinc/44/23/09/667442309.db2.gz FLWHRBYWUXXBAY-VXGBXAGGSA-N 1 0 300.424 0.996 10 0 DCAERO COC(=O)c1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cs1 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/nfs/dbraw/zinc/31/56/00/685315600.db2.gz ZCXXMSNVIIBFLH-ZJUUUORDSA-N 1 0 315.361 0.091 10 0 DCAERO COC[C@]1(C(=O)NCc2ncc(Cl)s2)C[NH2+]CCO1 ZINC000719411015 685310142 /nfs/dbraw/zinc/31/01/42/685310142.db2.gz ABDXMTVDOSQFHT-NSHDSACASA-N 1 0 305.787 0.418 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720747501 685314529 /nfs/dbraw/zinc/31/45/29/685314529.db2.gz MEEIIJJBGAAWRY-VIFPVBQESA-N 1 0 318.420 0.893 10 0 DCAERO CO[C@]1(C[NH2+]Cc2cnn(C(C)C)c2)CCS(=O)(=O)C1 ZINC000721231254 685317934 /nfs/dbraw/zinc/31/79/34/685317934.db2.gz VEBWBAVTRIGASB-ZDUSSCGKSA-N 1 0 301.412 0.757 10 0 DCAERO Cc1cc(N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n2ncnc2n1 ZINC000089893217 685100765 /nfs/dbraw/zinc/10/07/65/685100765.db2.gz RANGSINCGUATGE-KBPBESRZSA-N 1 0 316.409 0.858 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCc2ccnn2C)CC[N@@H+]1C[C@H](C)O ZINC000248398291 685174752 /nfs/dbraw/zinc/17/47/52/685174752.db2.gz NDDKNOWKDPSHJI-UONOGXRCSA-N 1 0 323.441 0.449 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc([C@H](C)O)n2)C1 ZINC000248426509 685174875 /nfs/dbraw/zinc/17/48/75/685174875.db2.gz NCOXPDOUWXBMOC-UONOGXRCSA-N 1 0 324.425 0.409 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)O1 ZINC000248863142 685177238 /nfs/dbraw/zinc/17/72/38/685177238.db2.gz AMKDWKPCAPAZNS-DGAVXFQQSA-N 1 0 310.394 0.650 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@@H]1C ZINC000249152611 685178689 /nfs/dbraw/zinc/17/86/89/685178689.db2.gz YIUWCZIQJDDING-STQMWFEESA-N 1 0 320.437 0.745 10 0 DCAERO Nc1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252555675 685186295 /nfs/dbraw/zinc/18/62/95/685186295.db2.gz SMBWRWKEBHLVBA-NWDGAFQWSA-N 1 0 311.407 0.410 10 0 DCAERO COCCOCCOCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000383420739 685242428 /nfs/dbraw/zinc/24/24/28/685242428.db2.gz CIBFULSOPCCUAF-NSHDSACASA-N 1 0 301.305 0.665 10 0 DCAERO Cc1nnc(CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)s1 ZINC000391840230 1157718373 /nfs/dbraw/zinc/71/83/73/1157718373.db2.gz LVWQUWNPLZMYOV-UHFFFAOYSA-N 1 0 302.381 0.419 10 0 DCAERO COc1ccc(C(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC000062187157 1172426260 /nfs/dbraw/zinc/42/62/60/1172426260.db2.gz ARGQVJBIRKQXRO-UHFFFAOYSA-N 1 0 319.405 0.931 10 0 DCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000081361293 1174569452 /nfs/dbraw/zinc/56/94/52/1174569452.db2.gz YIXJYDVNOAKCML-LBPRGKRZSA-N 1 0 310.398 0.119 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000185825391 1187325327 /nfs/dbraw/zinc/32/53/27/1187325327.db2.gz ICWVDNVETLHZNL-YTEVENLXSA-N 1 0 323.418 0.573 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000300588060 1190016649 /nfs/dbraw/zinc/01/66/49/1190016649.db2.gz QRJARMXSWQWPFP-XQQFMLRXSA-N 1 0 302.440 0.848 10 0 DCAERO Cn1cc(C(=O)N2CCc3n[nH]nc3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424165863 1190403221 /nfs/dbraw/zinc/40/32/21/1190403221.db2.gz BSFYXSPAABLUKY-SNVBAGLBSA-N 1 0 315.381 0.204 10 0 DCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175877308 282104300 /nfs/dbraw/zinc/10/43/00/282104300.db2.gz KEZXBPBCYRYYPT-CHWSQXEVSA-N 1 0 304.398 0.911 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)CC2 ZINC000113612987 282121980 /nfs/dbraw/zinc/12/19/80/282121980.db2.gz KJKZZWZVESJWGP-YUTCNCBUSA-N 1 0 318.425 0.779 10 0 DCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113306126 282265252 /nfs/dbraw/zinc/26/52/52/282265252.db2.gz AXUZDYMWTHISSM-GXFFZTMASA-N 1 0 312.439 0.894 10 0 DCAERO C[N@@H+](CC(=O)NCC1CC1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000275707914 529833401 /nfs/dbraw/zinc/83/34/01/529833401.db2.gz NYQFAYUGZYXIIR-KBPBESRZSA-N 1 0 321.400 0.851 10 0 DCAERO C[N@H+](CCO)C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000302043029 529920039 /nfs/dbraw/zinc/92/00/39/529920039.db2.gz OGZBPNLBKBEFCM-UHFFFAOYSA-N 1 0 316.409 0.895 10 0 DCAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000084061078 192397868 /nfs/dbraw/zinc/39/78/68/192397868.db2.gz ZCGKQIJMHSZFEE-JQWIXIFHSA-N 1 0 311.407 0.605 10 0 DCAERO Cc1nnnn1CCC[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072168486 191066257 /nfs/dbraw/zinc/06/62/57/191066257.db2.gz JWQLATOAIYOQPG-CQSZACIVSA-N 1 0 308.386 0.678 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)CCO1 ZINC000172306385 198076166 /nfs/dbraw/zinc/07/61/66/198076166.db2.gz PXOQWEFBTHLYPE-CQSZACIVSA-N 1 0 302.378 0.666 10 0 DCAERO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccccn2)CC[N@@H+]1C ZINC000172992151 198175093 /nfs/dbraw/zinc/17/50/93/198175093.db2.gz XULNYPZAIWBDJF-CHWSQXEVSA-N 1 0 304.394 0.753 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cccn2)ncn1 ZINC000173439520 198214893 /nfs/dbraw/zinc/21/48/93/198214893.db2.gz JWSKHKQJNLUFBW-GFCCVEGCSA-N 1 0 315.381 0.500 10 0 DCAERO CNC(=O)c1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000173791781 198252478 /nfs/dbraw/zinc/25/24/78/198252478.db2.gz XYRAWDQNZSAGPM-CQSZACIVSA-N 1 0 305.378 0.449 10 0 DCAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000173849499 198260027 /nfs/dbraw/zinc/26/00/27/198260027.db2.gz AKCDYWQCRLXUMA-ZDUSSCGKSA-N 1 0 302.382 0.747 10 0 DCAERO CCOCC[N@@H+]1CCN(c2ccc(C(N)=O)nn2)C[C@@H]1CC ZINC000173985626 198277731 /nfs/dbraw/zinc/27/77/31/198277731.db2.gz OJKFIWJLEADQGL-LBPRGKRZSA-N 1 0 307.398 0.513 10 0 DCAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000174090777 198289850 /nfs/dbraw/zinc/28/98/50/198289850.db2.gz JSXGCQYLROIXNE-MRXNPFEDSA-N 1 0 305.422 0.935 10 0 DCAERO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174168346 198301154 /nfs/dbraw/zinc/30/11/54/198301154.db2.gz FZMBCHXCTLKNMA-KBPBESRZSA-N 1 0 306.410 0.653 10 0 DCAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000261742892 295945221 /nfs/dbraw/zinc/94/52/21/295945221.db2.gz OCBCGXZOAYSLIF-SNVBAGLBSA-N 1 0 312.366 0.845 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@]1(O)CCOC1 ZINC000179544963 199053374 /nfs/dbraw/zinc/05/33/74/199053374.db2.gz 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/nfs/dbraw/zinc/29/25/47/202292547.db2.gz BEKVKEQOQYGAIM-FYWRMAATSA-N 1 0 306.395 0.652 10 0 DCAERO Cn1ccnc1[C@H]1CN(C(=O)NCCn2ccnc2)CCN1C ZINC000276219113 238318636 /nfs/dbraw/zinc/31/86/36/238318636.db2.gz JEUIFGUXZBZDQC-CYBMUJFWSA-N 1 0 317.397 0.315 10 0 DCAERO C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333730395 296068753 /nfs/dbraw/zinc/06/87/53/296068753.db2.gz VZWGBCGXYPGBMQ-KLHDSHLOSA-N 1 0 324.469 0.879 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)N(C)CC(=O)NC1CC1 ZINC000245767910 299382547 /nfs/dbraw/zinc/38/25/47/299382547.db2.gz KRDVOYLSNLUSGZ-SPWCGHHHSA-N 1 0 323.437 0.659 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000234608354 284025215 /nfs/dbraw/zinc/02/52/15/284025215.db2.gz IFEDTBQWIFMWQX-JHJVBQTASA-N 1 0 316.423 0.438 10 0 DCAERO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000122160591 284098184 /nfs/dbraw/zinc/09/81/84/284098184.db2.gz YNVJWPTXQXHSIQ-ZIAGYGMSSA-N 1 0 301.394 0.923 10 0 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396107637 /nfs/dbraw/zinc/10/76/37/396107637.db2.gz QDDNXQZLCXKAIZ-UHFFFAOYSA-N 1 0 321.421 0.728 10 0 DCAERO O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262197451 396109751 /nfs/dbraw/zinc/10/97/51/396109751.db2.gz GXKSOWVLORVLFE-UHFFFAOYSA-N 1 0 319.380 0.649 10 0 DCAERO CCNC(=O)NC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000171586830 396119611 /nfs/dbraw/zinc/11/96/11/396119611.db2.gz YGYYDPTWRLQCRO-ZDUSSCGKSA-N 1 0 308.426 0.925 10 0 DCAERO CS(=O)(=O)c1ccc([C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171626470 396120506 /nfs/dbraw/zinc/12/05/06/396120506.db2.gz ZGIQJLDXTBUYOJ-GDBMZVCRSA-N 1 0 324.446 0.904 10 0 DCAERO CCOC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000171611097 396120553 /nfs/dbraw/zinc/12/05/53/396120553.db2.gz DNYNAMWJOHNYEP-INIZCTEOSA-N 1 0 321.421 0.301 10 0 DCAERO O[C@@H](Cn1cccn1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171628738 396120820 /nfs/dbraw/zinc/12/08/20/396120820.db2.gz TWMMIICTINYZKI-CQSZACIVSA-N 1 0 302.382 0.611 10 0 DCAERO C[C@H]1C[C@@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000262325681 396124682 /nfs/dbraw/zinc/12/46/82/396124682.db2.gz DKQRHIFEIPOGKU-RYUDHWBXSA-N 1 0 315.373 0.787 10 0 DCAERO CCOC(=O)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261874848 396074830 /nfs/dbraw/zinc/07/48/30/396074830.db2.gz OOLAQLOWTIWYHH-CQSZACIVSA-N 1 0 320.389 0.957 10 0 DCAERO COC(=O)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccc(C)cc1 ZINC000261886005 396075883 /nfs/dbraw/zinc/07/58/83/396075883.db2.gz PXFVHZUYYVGMAT-CQSZACIVSA-N 1 0 320.389 0.876 10 0 DCAERO C[C@]1(CN2CCN(CC(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261888442 396075891 /nfs/dbraw/zinc/07/58/91/396075891.db2.gz SNBWPSGFZLDZOE-KRWDZBQOSA-N 1 0 308.470 0.616 10 0 DCAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cn1 ZINC000261890227 396076337 /nfs/dbraw/zinc/07/63/37/396076337.db2.gz GJBLTOCRKZXFSU-GZBFAFLISA-N 1 0 304.394 0.427 10 0 DCAERO [NH3+]C1(C(=O)Nc2cc(Br)c[nH]c2=O)CCOCC1 ZINC000261906898 396077923 /nfs/dbraw/zinc/07/79/23/396077923.db2.gz SLELDIRDKYYKSX-UHFFFAOYSA-N 1 0 316.155 0.996 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)[C@H]1CCc2ccccc2NC1=O ZINC000261909836 396078060 /nfs/dbraw/zinc/07/80/60/396078060.db2.gz QBDCHHJLTQFUMU-HNNXBMFYSA-N 1 0 316.405 0.304 10 0 DCAERO CC(C)CO[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261928119 396080166 /nfs/dbraw/zinc/08/01/66/396080166.db2.gz LISASLGTJKSEAB-XHSDSOJGSA-N 1 0 320.437 0.997 10 0 DCAERO CCCS(=O)(=O)NC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261929119 396080397 /nfs/dbraw/zinc/08/03/97/396080397.db2.gz COHDRFASJGNEJG-AWEZNQCLSA-N 1 0 303.472 0.780 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000261944561 396082542 /nfs/dbraw/zinc/08/25/42/396082542.db2.gz VKFGJIHGKSLWEN-VWPFQQQWSA-N 1 0 323.437 0.646 10 0 DCAERO O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261951022 396083337 /nfs/dbraw/zinc/08/33/37/396083337.db2.gz NDDSMXOLMWGIQX-CABCVRRESA-N 1 0 305.378 0.180 10 0 DCAERO CN1CC(=O)N(Cc2nc(-c3ccc(C[NH3+])cc3)no2)C1=O ZINC000261959408 396084513 /nfs/dbraw/zinc/08/45/13/396084513.db2.gz HBNOAQXEJLFFFT-UHFFFAOYSA-N 1 0 301.306 0.589 10 0 DCAERO C[C@@H](NC(=O)c1ccco1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263204715 396206164 /nfs/dbraw/zinc/20/61/64/396206164.db2.gz JOCXBJQZXDRELR-NXEZZACHSA-N 1 0 305.338 0.730 10 0 DCAERO C[C@H](Cn1ccnc1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262569102 396157000 /nfs/dbraw/zinc/15/70/00/396157000.db2.gz XEFDJJCJOIPBOA-OQMKEHIESA-N 1 0 306.410 0.920 10 0 DCAERO COc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c(C(N)=O)cc1OC ZINC000262623320 396163549 /nfs/dbraw/zinc/16/35/49/396163549.db2.gz OVEHBNVUOOBDAR-DTWKUNHWSA-N 1 0 307.350 0.869 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176983548 396163690 /nfs/dbraw/zinc/16/36/90/396163690.db2.gz XNGGXKBGPWJYNA-ZDUSSCGKSA-N 1 0 319.471 0.601 10 0 DCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000262628713 396164119 /nfs/dbraw/zinc/16/41/19/396164119.db2.gz RUXJEUHKAGACBU-MNOVXSKESA-N 1 0 301.346 0.526 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262692743 396173400 /nfs/dbraw/zinc/17/34/00/396173400.db2.gz AHPWXVIOKUHDKP-SMDDNHRTSA-N 1 0 314.389 0.733 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1C ZINC000177550918 396178787 /nfs/dbraw/zinc/17/87/87/396178787.db2.gz WVVZSZXDBQVIJP-NWDGAFQWSA-N 1 0 308.382 0.304 10 0 DCAERO CNC(=O)Cc1nc(CN2CCO[C@@H](C[NH+](C)C)C2)cs1 ZINC000177599998 396179410 /nfs/dbraw/zinc/17/94/10/396179410.db2.gz YXPUZDQSMMZOTD-LBPRGKRZSA-N 1 0 312.439 0.194 10 0 DCAERO CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000177679715 396181269 /nfs/dbraw/zinc/18/12/69/396181269.db2.gz QYIVHLOQHMACOR-HNNXBMFYSA-N 1 0 319.405 0.977 10 0 DCAERO COc1ncc(C)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177682479 396181287 /nfs/dbraw/zinc/18/12/87/396181287.db2.gz AKOMHKJWLKOVOV-GFCCVEGCSA-N 1 0 318.377 0.644 10 0 DCAERO Cc1ccncc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177677623 396181311 /nfs/dbraw/zinc/18/13/11/396181311.db2.gz HJWQOFKETGLZBO-LBPRGKRZSA-N 1 0 306.366 0.118 10 0 DCAERO NC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000177792274 396183601 /nfs/dbraw/zinc/18/36/01/396183601.db2.gz XIHHEDIYEIKLJD-CYBMUJFWSA-N 1 0 302.378 0.925 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262809612 396183787 /nfs/dbraw/zinc/18/37/87/396183787.db2.gz XXDJPFIERVJJNR-RYUDHWBXSA-N 1 0 300.428 0.815 10 0 DCAERO COC(=O)C[C@H]1CSCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262809156 396183860 /nfs/dbraw/zinc/18/38/60/396183860.db2.gz SYQVWFJVJABVSU-VIFPVBQESA-N 1 0 324.406 0.176 10 0 DCAERO C[C@@H]1C[C@H](NC(=O)CCn2nc3ccccn3c2=O)CC[NH2+]1 ZINC000262959640 396194504 /nfs/dbraw/zinc/19/45/04/396194504.db2.gz WKCFXMVUWLEDFY-VXGBXAGGSA-N 1 0 303.366 0.143 10 0 DCAERO C[C@@H]1CN(Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)CCO1 ZINC000263310734 396212630 /nfs/dbraw/zinc/21/26/30/396212630.db2.gz PDTFFHJALVRCPA-CYBMUJFWSA-N 1 0 303.406 0.743 10 0 DCAERO COCCCNC(=O)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181653917 396240570 /nfs/dbraw/zinc/24/05/70/396240570.db2.gz SQFGYABDUBSWOI-LLVKDONJSA-N 1 0 312.332 0.774 10 0 DCAERO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000182401678 396249794 /nfs/dbraw/zinc/24/97/94/396249794.db2.gz PLCQPUWSDSBLER-DOTOQJQBSA-N 1 0 324.421 0.401 10 0 DCAERO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C1C[NH2+]C1 ZINC000263336403 396214300 /nfs/dbraw/zinc/21/43/00/396214300.db2.gz WHVVJCFRGGXOEG-OAHLLOKOSA-N 1 0 307.369 0.535 10 0 DCAERO Cc1cccc2c1[nH+]cc(C)c2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000185342866 396325142 /nfs/dbraw/zinc/32/51/42/396325142.db2.gz DXNPBYRRNGJZDT-CYBMUJFWSA-N 1 0 324.384 0.999 10 0 DCAERO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000185569437 396330638 /nfs/dbraw/zinc/33/06/38/396330638.db2.gz WYTUHDCUDWSLJX-UONOGXRCSA-N 1 0 306.410 0.987 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000186219247 396345412 /nfs/dbraw/zinc/34/54/12/396345412.db2.gz TZVKVXKJHIOBEV-LBPRGKRZSA-N 1 0 308.430 0.748 10 0 DCAERO CS(=O)(=O)CCCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186254220 396346391 /nfs/dbraw/zinc/34/63/91/396346391.db2.gz UYAJBDPONYDHJI-CYBMUJFWSA-N 1 0 317.455 0.691 10 0 DCAERO CCOC(=O)C[C@](C)([NH2+]C[C@@H](O)CN1CCOCC1)C(C)C ZINC000186691828 396355273 /nfs/dbraw/zinc/35/52/73/396355273.db2.gz VVQVARQUZOFPOS-ZBFHGGJFSA-N 1 0 316.442 0.637 10 0 DCAERO CN(C(=O)[C@@H]1CNC(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268613026 396362061 /nfs/dbraw/zinc/36/20/61/396362061.db2.gz WTRQSRWVEAWKHT-LSDHHAIUSA-N 1 0 301.390 0.855 10 0 DCAERO CN(C(=O)[C@H]1CNC(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268613020 396362452 /nfs/dbraw/zinc/36/24/52/396362452.db2.gz WTRQSRWVEAWKHT-CABCVRRESA-N 1 0 301.390 0.855 10 0 DCAERO Cn1nnc2ccc(C(=O)N3CCO[C@@H]4CC[N@H+](C)C[C@H]43)cc21 ZINC000285946666 396364597 /nfs/dbraw/zinc/36/45/97/396364597.db2.gz VZSCKTYAFZOCQN-HUUCEWRRSA-N 1 0 315.377 0.513 10 0 DCAERO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285981971 396366908 /nfs/dbraw/zinc/36/69/08/396366908.db2.gz XWJVFCXYROWXSY-YUTCNCBUSA-N 1 0 321.377 0.329 10 0 DCAERO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187500059 396370372 /nfs/dbraw/zinc/37/03/72/396370372.db2.gz NNJDQVOLRLVNOX-UHFFFAOYSA-N 1 0 303.366 0.636 10 0 DCAERO NS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)o1 ZINC000186501587 396351332 /nfs/dbraw/zinc/35/13/32/396351332.db2.gz XXMDVZJEXRCXOI-VIFPVBQESA-N 1 0 313.379 0.284 10 0 DCAERO C[C@H]1CN(C(=O)CSCc2cscn2)CCN1CCO ZINC000188743292 396384838 /nfs/dbraw/zinc/38/48/38/396384838.db2.gz NZAVODCVZLTALH-NSHDSACASA-N 1 0 315.464 0.901 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000189295910 396392649 /nfs/dbraw/zinc/39/26/49/396392649.db2.gz QWQDEPKDYOMOLJ-UHFFFAOYSA-N 1 0 309.391 0.244 10 0 DCAERO COC(=O)C1CCC(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000189446419 396395921 /nfs/dbraw/zinc/39/59/21/396395921.db2.gz WGRLTYZFRZJQPR-UHFFFAOYSA-N 1 0 312.410 0.804 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cn1 ZINC000189792397 396399326 /nfs/dbraw/zinc/39/93/26/396399326.db2.gz UPQHMVKVXLLBPP-UHFFFAOYSA-N 1 0 303.366 0.284 10 0 DCAERO CCc1nnc(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)[nH]1 ZINC000190685641 396410386 /nfs/dbraw/zinc/41/03/86/396410386.db2.gz OLTXDTZIXUEYPF-UHFFFAOYSA-N 1 0 320.397 0.488 10 0 DCAERO CC(=O)N1CC(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000191889843 396426504 /nfs/dbraw/zinc/42/65/04/396426504.db2.gz CNRLUBGOUWBUCA-GFCCVEGCSA-N 1 0 311.426 0.016 10 0 DCAERO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000286197111 396380332 /nfs/dbraw/zinc/38/03/32/396380332.db2.gz XVAZIYLKFPFWSK-CYBMUJFWSA-N 1 0 319.409 0.241 10 0 DCAERO c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(N2CCOCC2)n1 ZINC000515187050 396501656 /nfs/dbraw/zinc/50/16/56/396501656.db2.gz NQDYGGBZLRVCCO-MRXNPFEDSA-N 1 0 303.410 0.893 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193418106 396450827 /nfs/dbraw/zinc/45/08/27/396450827.db2.gz NRNODCIDEROVGO-PWSUYJOCSA-N 1 0 312.391 0.750 10 0 DCAERO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC[NH2+]C(C)C)C1 ZINC000193526354 396453325 /nfs/dbraw/zinc/45/33/25/396453325.db2.gz ZHFPXXBJWGKYBF-AWEZNQCLSA-N 1 0 321.487 0.357 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)c(C2CC2)n1 ZINC000291904474 396519225 /nfs/dbraw/zinc/51/92/25/396519225.db2.gz XKUTVINJLLZXAI-UHFFFAOYSA-N 1 0 305.382 0.400 10 0 DCAERO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000595119636 396551841 /nfs/dbraw/zinc/55/18/41/396551841.db2.gz YBESHZLFHZTBBQ-SSDOTTSWSA-N 1 0 304.368 0.569 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000373807811 396615203 /nfs/dbraw/zinc/61/52/03/396615203.db2.gz WNXPNVDACYUETB-YWPYICTPSA-N 1 0 313.398 0.491 10 0 DCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000373807812 396615258 /nfs/dbraw/zinc/61/52/58/396615258.db2.gz WNXPNVDACYUETB-ZOWXZIJZSA-N 1 0 313.398 0.491 10 0 DCAERO 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ZINC000174775163 416085096 /nfs/dbraw/zinc/08/50/96/416085096.db2.gz SMIZWQZREWLQIZ-ZIAGYGMSSA-N 1 0 313.442 0.670 10 0 DCAERO C[C@H](O)CC(C)(C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175004130 416094769 /nfs/dbraw/zinc/09/47/69/416094769.db2.gz WHJREHLKZWCQFW-STQMWFEESA-N 1 0 301.431 0.803 10 0 DCAERO CCCNC(=O)CN(C)C(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175352989 416104330 /nfs/dbraw/zinc/10/43/30/416104330.db2.gz PRADBFKLGRSKEF-CQSZACIVSA-N 1 0 312.458 0.387 10 0 DCAERO COc1cccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000313331998 416106780 /nfs/dbraw/zinc/10/67/80/416106780.db2.gz LJRJIVAKQWPLHE-CYBMUJFWSA-N 1 0 300.380 0.103 10 0 DCAERO C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1N1CCOCC1 ZINC000175620668 416110764 /nfs/dbraw/zinc/11/07/64/416110764.db2.gz UCUJITTVKMQCLC-HIFRSBDPSA-N 1 0 310.442 0.443 10 0 DCAERO CCC[N@H+](CC)CCNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175613182 416110841 /nfs/dbraw/zinc/11/08/41/416110841.db2.gz UXFRXLHXRMXPFQ-ZDUSSCGKSA-N 1 0 324.429 0.928 10 0 DCAERO CC[C@@H]1CN(C(=O)NCc2noc(C)n2)CC[N@@H+]1CCOC ZINC000175693871 416111632 /nfs/dbraw/zinc/11/16/32/416111632.db2.gz GVXCTASFPAPFDX-GFCCVEGCSA-N 1 0 311.386 0.630 10 0 DCAERO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000175980506 416117908 /nfs/dbraw/zinc/11/79/08/416117908.db2.gz NPMGYEWZWHISEK-HNNXBMFYSA-N 1 0 319.453 0.971 10 0 DCAERO CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000176409041 416125047 /nfs/dbraw/zinc/12/50/47/416125047.db2.gz DMMBWXUUHMAFFU-ZDUSSCGKSA-N 1 0 308.430 0.592 10 0 DCAERO CC(C)NC(=O)C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176633375 416131501 /nfs/dbraw/zinc/13/15/01/416131501.db2.gz LVWJZMNHAQSMAD-LBPRGKRZSA-N 1 0 305.444 0.114 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000176848685 416135896 /nfs/dbraw/zinc/13/58/96/416135896.db2.gz SLZPHXRLWFSLAK-PMPSAXMXSA-N 1 0 324.469 0.831 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CCOCC1 ZINC000179148279 416183389 /nfs/dbraw/zinc/18/33/89/416183389.db2.gz 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ZINC000182444571 416222388 /nfs/dbraw/zinc/22/23/88/416222388.db2.gz CINGHGBAFKUEJC-AWEZNQCLSA-N 1 0 317.389 0.513 10 0 DCAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCS(=O)(=O)C3)C2)cn1 ZINC000183025837 416234907 /nfs/dbraw/zinc/23/49/07/416234907.db2.gz LJBORUSANFIEGG-QWHCGFSZSA-N 1 0 312.439 0.556 10 0 DCAERO CCOC(=O)c1cn(C)nc1NC(=O)NC1CC[NH+](C)CC1 ZINC000182796001 416231489 /nfs/dbraw/zinc/23/14/89/416231489.db2.gz CMCVXWZQNBUSBH-UHFFFAOYSA-N 1 0 309.370 0.813 10 0 DCAERO O=C([C@@H]1CCCn2ccnc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178125904 416158158 /nfs/dbraw/zinc/15/81/58/416158158.db2.gz RVFLUJWFEWVLLQ-HUUCEWRRSA-N 1 0 318.421 0.941 10 0 DCAERO CCCCOCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185775307 416253730 /nfs/dbraw/zinc/25/37/30/416253730.db2.gz RMXCMYPTDXCKAF-ZIAGYGMSSA-N 1 0 301.431 0.900 10 0 DCAERO C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000190216362 416275322 /nfs/dbraw/zinc/27/53/22/416275322.db2.gz IGZHXEIXTCSCBG-TZMCWYRMSA-N 1 0 318.439 0.290 10 0 DCAERO 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/nfs/dbraw/zinc/33/67/98/416336798.db2.gz YJLZNEYYHMAMNS-MCIONIFRSA-N 1 0 309.410 0.224 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263219899 416337400 /nfs/dbraw/zinc/33/74/00/416337400.db2.gz LREYDRCXYQZFAK-STQMWFEESA-N 1 0 317.380 0.554 10 0 DCAERO Cc1nnc(CN2CCN(C(=O)C[NH+](C)C)CC2)n1C1CC1 ZINC000195430897 416326312 /nfs/dbraw/zinc/32/63/12/416326312.db2.gz FMJMIWHTYWWLJF-UHFFFAOYSA-N 1 0 306.414 0.127 10 0 DCAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195322728 416326346 /nfs/dbraw/zinc/32/63/46/416326346.db2.gz IFGSKVSDQSMHEC-GFCCVEGCSA-N 1 0 323.418 0.563 10 0 DCAERO [NH3+]CCCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000237904169 416329278 /nfs/dbraw/zinc/32/92/78/416329278.db2.gz JUMMCUWJHVMBAP-UHFFFAOYSA-N 1 0 301.341 0.661 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000246214424 416331754 /nfs/dbraw/zinc/33/17/54/416331754.db2.gz OEGQPHBLWHPLGL-KBPBESRZSA-N 1 0 301.431 0.805 10 0 DCAERO 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416722869 /nfs/dbraw/zinc/72/28/69/416722869.db2.gz VDQJSDYPKFHMAC-AWEZNQCLSA-N 1 0 319.453 0.231 10 0 DCAERO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557378078 416733675 /nfs/dbraw/zinc/73/36/75/416733675.db2.gz QEXOIPCIROSPGX-LBPRGKRZSA-N 1 0 315.377 0.731 10 0 DCAERO C[C@](O)(Cn1ccccc1=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000516708693 416736013 /nfs/dbraw/zinc/73/60/13/416736013.db2.gz OAGVQWBZOCLISE-KRWDZBQOSA-N 1 0 319.405 0.342 10 0 DCAERO COc1cc(CC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccn1 ZINC000615209146 416786647 /nfs/dbraw/zinc/78/66/47/416786647.db2.gz MCDBPBXEXGHLOI-TZMCWYRMSA-N 1 0 307.394 0.546 10 0 DCAERO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000369926065 416846780 /nfs/dbraw/zinc/84/67/80/416846780.db2.gz HPGBFXIVDALSDI-MWDXBVQZSA-N 1 0 321.465 0.945 10 0 DCAERO c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N2CCOCC2)n1 ZINC000372706028 416942623 /nfs/dbraw/zinc/94/26/23/416942623.db2.gz LYYQOAMNISZKMQ-ZIAGYGMSSA-N 1 0 303.410 1.352 10 0 DCAERO O=C1NC(=O)[C@]2(CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)N1 ZINC000373842284 416965911 /nfs/dbraw/zinc/96/59/11/416965911.db2.gz AOYRAEZGNVCYBH-OAHLLOKOSA-N 1 0 323.393 0.594 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000521072586 416993143 /nfs/dbraw/zinc/99/31/43/416993143.db2.gz IZIPYMOSVPVWHP-JSGCOSHPSA-N 1 0 304.456 0.799 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1cnn(C)c(=O)c1Br ZINC000389724743 417099232 /nfs/dbraw/zinc/09/92/32/417099232.db2.gz JQNMFTORJKSLEO-HTQZYQBOSA-N 1 0 301.188 0.953 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1cnn(C)c(=O)c1Br ZINC000389724764 417101312 /nfs/dbraw/zinc/10/13/12/417101312.db2.gz JQNMFTORJKSLEO-YUMQZZPRSA-N 1 0 301.188 0.953 10 0 DCAERO CC1(OCC(=O)NCc2cnn(Cc3ccccc3)c2)C[NH2+]C1 ZINC000390198085 417102035 /nfs/dbraw/zinc/10/20/35/417102035.db2.gz PWGQKXHNKXCLMA-UHFFFAOYSA-N 1 0 314.389 0.926 10 0 DCAERO CC1(OCC(=O)N2CCN(Cc3ccccc3)CC2)C[NH2+]C1 ZINC000379474744 417085073 /nfs/dbraw/zinc/08/50/73/417085073.db2.gz NUQZMJUTYTWNST-UHFFFAOYSA-N 1 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417305060 /nfs/dbraw/zinc/30/50/60/417305060.db2.gz QSFLNCMECYIPPY-STQMWFEESA-N 1 0 308.378 0.261 10 0 DCAERO Cn1nnc2cc(C[N@@H+]3CCC[C@](O)(CC(N)=O)C3)ccc21 ZINC000643746068 417335346 /nfs/dbraw/zinc/33/53/46/417335346.db2.gz CHBNCASWRJDXQS-HNNXBMFYSA-N 1 0 303.366 0.171 10 0 DCAERO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c[nH]1 ZINC000452386292 417480478 /nfs/dbraw/zinc/48/04/78/417480478.db2.gz WSHYBELEPQNKRI-LBPRGKRZSA-N 1 0 309.366 0.378 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000531886832 417646754 /nfs/dbraw/zinc/64/67/54/417646754.db2.gz YCDRRSJHQDXTFW-ZUOKHONESA-N 1 0 301.456 0.929 10 0 DCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457919962 417709970 /nfs/dbraw/zinc/70/99/70/417709970.db2.gz AMWHENUOESPKRY-MCIONIFRSA-N 1 0 324.429 0.059 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C[NH+]1CCCCC1 ZINC000457952996 417711026 /nfs/dbraw/zinc/71/10/26/417711026.db2.gz WXJVQTBWEXSNRS-KBPBESRZSA-N 1 0 324.429 0.060 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662632650 417828989 /nfs/dbraw/zinc/82/89/89/417828989.db2.gz SEJZSKQZUVRZRR-CYBMUJFWSA-N 1 0 302.440 0.787 10 0 DCAERO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000630048240 417811000 /nfs/dbraw/zinc/81/10/00/417811000.db2.gz YZXUUSUPLFEZGN-GOEBONIOSA-N 1 0 312.454 0.695 10 0 DCAERO [NH3+][C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000647603163 418032563 /nfs/dbraw/zinc/03/25/63/418032563.db2.gz CKKFRKVJVAYNGQ-JTQLQIEISA-N 1 0 317.436 0.366 10 0 DCAERO O=C(CN1C(=O)COc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299400915 229098829 /nfs/dbraw/zinc/09/88/29/229098829.db2.gz KMOVXIMWIYZQIO-ZDUSSCGKSA-N 1 0 315.373 0.719 10 0 DCAERO Cc1ccn(-c2ccc(N3CCC([N@H+](C)CCO)CC3)nn2)n1 ZINC000302061643 230072848 /nfs/dbraw/zinc/07/28/48/230072848.db2.gz SGKORVXZZDSFQU-UHFFFAOYSA-N 1 0 316.409 0.864 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NCCOc1cccc(C)c1)C(C)C ZINC000183677536 261116237 /nfs/dbraw/zinc/11/62/37/261116237.db2.gz 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261134478 /nfs/dbraw/zinc/13/44/78/261134478.db2.gz KGZPJMLOJZATQV-GFCCVEGCSA-N 1 0 313.442 0.988 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)NCCOCC(F)F ZINC000191246311 261136557 /nfs/dbraw/zinc/13/65/57/261136557.db2.gz KEPXIUSMCQEVEB-UHFFFAOYSA-N 1 0 309.357 0.680 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CN1CCCC1=O ZINC000194491327 261147012 /nfs/dbraw/zinc/14/70/12/261147012.db2.gz HERJCCYWPRCHRW-HNNXBMFYSA-N 1 0 303.406 0.898 10 0 DCAERO CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000194936884 261149584 /nfs/dbraw/zinc/14/95/84/261149584.db2.gz YVPODNBMOJVFFD-UHFFFAOYSA-N 1 0 319.405 0.979 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000362307219 262020669 /nfs/dbraw/zinc/02/06/69/262020669.db2.gz UDROEFKSQCLRMT-ZIAGYGMSSA-N 1 0 319.471 0.109 10 0 DCAERO NC(=O)NC(=O)CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000363102593 262099267 /nfs/dbraw/zinc/09/92/67/262099267.db2.gz QJDCQZCMJKWYAH-UHFFFAOYSA-N 1 0 324.425 0.686 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000397519549 262164406 /nfs/dbraw/zinc/16/44/06/262164406.db2.gz UFQNIRRHNYJNTB-GFCCVEGCSA-N 1 0 305.444 0.009 10 0 DCAERO Cn1c(C[NH2+]C[C@@H](O)Cn2ccnn2)nc2ccc(Cl)cc21 ZINC000459693159 272005338 /nfs/dbraw/zinc/00/53/38/272005338.db2.gz IJRCATLJQRQXJZ-LLVKDONJSA-N 1 0 320.784 0.969 10 0 DCAERO COC(=O)C(C)(C)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000494415279 272221459 /nfs/dbraw/zinc/22/14/59/272221459.db2.gz HNYTZVSHQXAUOV-UHFFFAOYSA-N 1 0 313.442 0.278 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)o1 ZINC000515300413 287651874 /nfs/dbraw/zinc/65/18/74/287651874.db2.gz FXLYFGDGZFEKEG-JTQLQIEISA-N 1 0 315.395 0.306 10 0 DCAERO CC1CC[NH+](CCNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173784708 276197606 /nfs/dbraw/zinc/19/76/06/276197606.db2.gz VRGXIEBGIZRSOH-INIZCTEOSA-N 1 0 324.469 0.834 10 0 DCAERO Cn1nc(Br)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000192109754 276836673 /nfs/dbraw/zinc/83/66/73/276836673.db2.gz BUZDASVZQIRTIS-MRVPVSSYSA-N 1 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/nfs/dbraw/zinc/11/42/96/520114296.db2.gz YGGSEEMCQCDGMP-ZIAGYGMSSA-N 1 0 311.426 0.459 10 0 DCAERO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1C ZINC000173269186 534514174 /nfs/dbraw/zinc/51/41/74/534514174.db2.gz KJOKMPDBQIKSIS-PWSUYJOCSA-N 1 0 300.428 0.832 10 0 DCAERO CCC[C@H](C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)[NH+](C)C ZINC000121855883 520985235 /nfs/dbraw/zinc/98/52/35/520985235.db2.gz BHAQWXZCTRSKAV-CHWSQXEVSA-N 1 0 321.425 0.680 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(CCOC)[C@H](C)C2)C1 ZINC000117483654 521620215 /nfs/dbraw/zinc/62/02/15/521620215.db2.gz RBQVQMVXQQUJGA-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO CN(CC(C)(CO)CO)C(=O)c1ccccc1OCC[NH+](C)C ZINC000127443213 521800977 /nfs/dbraw/zinc/80/09/77/521800977.db2.gz JBZRJQWQTMMCPR-UHFFFAOYSA-N 1 0 324.421 0.690 10 0 DCAERO C[NH2+][C@@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000261667713 522381209 /nfs/dbraw/zinc/38/12/09/522381209.db2.gz FZADRLGIDAMBEY-GFCCVEGCSA-N 1 0 314.389 0.686 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nn1 ZINC000157182864 523391865 /nfs/dbraw/zinc/39/18/65/523391865.db2.gz IFPZOBBKGJJKBM-CJNGLKHVSA-N 1 0 322.409 0.621 10 0 DCAERO CC[C@@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105912702 523444501 /nfs/dbraw/zinc/44/45/01/523444501.db2.gz VKVXOARDZWWTJQ-KFWWJZLASA-N 1 0 302.459 0.939 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000226776236 525044939 /nfs/dbraw/zinc/04/49/39/525044939.db2.gz UVRZKWXZEMGMLU-HTYKTIJTSA-N 1 0 303.428 0.213 10 0 DCAERO C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H](C)CO ZINC000131922736 525218864 /nfs/dbraw/zinc/21/88/64/525218864.db2.gz UIHVVXGSJBTPEN-CHWSQXEVSA-N 1 0 324.425 0.838 10 0 DCAERO C[C@@](O)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCCCC1 ZINC000365144672 525771454 /nfs/dbraw/zinc/77/14/54/525771454.db2.gz GDYUWPTZNICKCJ-DOTOQJQBSA-N 1 0 309.454 0.824 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000158323989 525867009 /nfs/dbraw/zinc/86/70/09/525867009.db2.gz JWOZBJBFFVSGKP-ZDUSSCGKSA-N 1 0 300.366 0.598 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@@H]2C1 ZINC000284866458 536469413 /nfs/dbraw/zinc/46/94/13/536469413.db2.gz DWPXJJUYEYBYBO-KGLIPLIRSA-N 1 0 318.377 0.722 10 0 DCAERO Cn1c(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc2cc(F)ccc21 ZINC000168449819 527048926 /nfs/dbraw/zinc/04/89/26/527048926.db2.gz ILEKBXGUJPUGAP-JQWIXIFHSA-N 1 0 306.341 0.094 10 0 DCAERO [NH3+]CCNC(=O)c1ccccc1NC(=O)CN1CCCCC1=O ZINC000262386817 527187457 /nfs/dbraw/zinc/18/74/57/527187457.db2.gz JNYNQELKQXGTTF-UHFFFAOYSA-N 1 0 318.377 0.326 10 0 DCAERO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000366024884 527290394 /nfs/dbraw/zinc/29/03/94/527290394.db2.gz PFGWHHJNQYPBEY-UHFFFAOYSA-N 1 0 310.379 0.923 10 0 DCAERO [NH3+][C@@H]1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)C1 ZINC000237912253 527362082 /nfs/dbraw/zinc/36/20/82/527362082.db2.gz FYLLGCDXCDYOTQ-RKFFSXRUSA-N 1 0 324.402 0.515 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000157997839 527650991 /nfs/dbraw/zinc/65/09/91/527650991.db2.gz YJXCLLVEVKBNOU-MRXNPFEDSA-N 1 0 311.426 0.921 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNc2cncc(OCCO)n2)C1 ZINC000189098696 528018482 /nfs/dbraw/zinc/01/84/82/528018482.db2.gz UQKGEPXTQFECAH-CYBMUJFWSA-N 1 0 310.398 0.616 10 0 DCAERO CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604038 528027875 /nfs/dbraw/zinc/02/78/75/528027875.db2.gz IEFIMVGAHBSRTR-UONOGXRCSA-N 1 0 309.414 0.712 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000246694877 528499957 /nfs/dbraw/zinc/49/99/57/528499957.db2.gz ZVGQEXXOHCHPMI-UPJWGTAASA-N 1 0 314.430 0.295 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC000284866469 536479496 /nfs/dbraw/zinc/47/94/96/536479496.db2.gz DWPXJJUYEYBYBO-UONOGXRCSA-N 1 0 318.377 0.722 10 0 DCAERO CCC[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)[NH+](C)C ZINC000161560666 545866866 /nfs/dbraw/zinc/86/68/66/545866866.db2.gz JAFUKBCKFPZWSO-NWDGAFQWSA-N 1 0 305.444 0.257 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCCc1ccccc1OC)C(C)C ZINC000183676738 545908375 /nfs/dbraw/zinc/90/83/75/545908375.db2.gz ASNFRNHEWDLDOG-MRXNPFEDSA-N 1 0 321.421 0.714 10 0 DCAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)NS(C)(=O)=O ZINC000250373058 545973133 /nfs/dbraw/zinc/97/31/33/545973133.db2.gz WPLHRQHMISNION-TUAOUCFPSA-N 1 0 317.455 0.351 10 0 DCAERO CC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251785540 545974046 /nfs/dbraw/zinc/97/40/46/545974046.db2.gz NHKDPDZDBBPVFZ-YVECIDJPSA-N 1 0 305.444 0.400 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000262129557 545979283 /nfs/dbraw/zinc/97/92/83/545979283.db2.gz GJSJAJZIIJFPFW-DGAVXFQQSA-N 1 0 318.373 0.258 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000262119282 545979329 /nfs/dbraw/zinc/97/93/29/545979329.db2.gz FVASATMRJUTUDU-HOCLYGCPSA-N 1 0 303.406 0.987 10 0 DCAERO O=C(CCc1ccc2c(c1)OCCO2)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262312130 545982504 /nfs/dbraw/zinc/98/25/04/545982504.db2.gz QMMKWUQXDGWHBR-CHWSQXEVSA-N 1 0 306.362 0.087 10 0 DCAERO O=C(Cc1ccc(Br)s1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262276068 545982879 /nfs/dbraw/zinc/98/28/79/545982879.db2.gz NKTVFPJLPLHMEX-VXNVDRBHSA-N 1 0 319.224 0.750 10 0 DCAERO O=C(CCc1ccc(OC(F)F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262327697 545983715 /nfs/dbraw/zinc/98/37/15/545983715.db2.gz RXXSXNWBWZBNKR-AAEUAGOBSA-N 1 0 314.332 0.917 10 0 DCAERO CCOc1ccc(SCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262364788 545984644 /nfs/dbraw/zinc/98/46/44/545984644.db2.gz VMGRHLUPETXKSD-FZMZJTMJSA-N 1 0 310.419 0.874 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000332767280 546059539 /nfs/dbraw/zinc/05/95/39/546059539.db2.gz FSRKDVRPVOACAC-UONOGXRCSA-N 1 0 321.425 0.503 10 0 DCAERO C[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H](C)O1 ZINC000333345214 546077526 /nfs/dbraw/zinc/07/75/26/546077526.db2.gz QLJMRCOEJPFNBK-VXGBXAGGSA-N 1 0 320.397 0.527 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333579125 546085929 /nfs/dbraw/zinc/08/59/29/546085929.db2.gz NPRHMNHUKLBJCR-OUCADQQQSA-N 1 0 306.410 0.778 10 0 DCAERO C[C@H]1C[C@@H](O)CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000333667164 546088773 /nfs/dbraw/zinc/08/87/73/546088773.db2.gz MLORORGJJVIYHM-SLTXQBBLSA-N 1 0 324.469 0.615 10 0 DCAERO C[C@H](COCc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000390737559 546219880 /nfs/dbraw/zinc/21/98/80/546219880.db2.gz JNAPZPZPUNCJEO-GFCCVEGCSA-N 1 0 303.366 0.572 10 0 DCAERO CC(C)(C)n1cc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000671492601 547226030 /nfs/dbraw/zinc/22/60/30/547226030.db2.gz WLWDGHQLVQXPAS-OAHLLOKOSA-N 1 0 304.398 0.867 10 0 DCAERO C[C@@H]1CN(Cc2cnc(NC(=O)CN(C)C)s2)CC[C@H]1[NH3+] ZINC000725273042 548749962 /nfs/dbraw/zinc/74/99/62/548749962.db2.gz XPLCDERITYDLIV-ZYHUDNBSSA-N 1 0 311.455 0.812 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000725028281 658030702 /nfs/dbraw/zinc/03/07/02/658030702.db2.gz UMRKAUMQLBRCHH-LBPRGKRZSA-N 1 0 305.444 0.403 10 0 DCAERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)N1CCCCCC1 ZINC000725028616 658032429 /nfs/dbraw/zinc/03/24/29/658032429.db2.gz YMOVQRPKOAYVJX-UHFFFAOYSA-N 1 0 305.444 0.547 10 0 DCAERO CCn1nccc1CC[N@@H+]1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077615 658720318 /nfs/dbraw/zinc/72/03/18/658720318.db2.gz LQAPTKMUEKBNLX-INIZCTEOSA-N 1 0 318.425 0.644 10 0 DCAERO CCOC(=O)[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000248424452 659106094 /nfs/dbraw/zinc/10/60/94/659106094.db2.gz HSRXJRHOQWZPFI-JKIFEVAISA-N 1 0 323.437 0.914 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C(F)F)C1 ZINC000194254940 659491529 /nfs/dbraw/zinc/49/15/29/659491529.db2.gz JKSXECHWDVCVEZ-RYUDHWBXSA-N 1 0 321.368 0.773 10 0 DCAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000261719645 661560980 /nfs/dbraw/zinc/56/09/80/661560980.db2.gz PYIFERDCCUKODW-SKDRFNHKSA-N 1 0 308.359 0.903 10 0 DCAERO O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261730749 661580446 /nfs/dbraw/zinc/58/04/46/661580446.db2.gz MSWHXZGVVBUCCX-UHFFFAOYSA-N 1 0 318.308 0.372 10 0 DCAERO CCOCCNC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261743815 661605757 /nfs/dbraw/zinc/60/57/57/661605757.db2.gz MXEIGJJMNBKRNZ-HNNXBMFYSA-N 1 0 321.421 0.794 10 0 DCAERO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000261889702 661797653 /nfs/dbraw/zinc/79/76/53/661797653.db2.gz BUJODFMKEUCTBU-NSHDSACASA-N 1 0 314.411 0.169 10 0 DCAERO Ic1cnc(N2CC[N@@H+]3CC[C@H]2C3)nc1 ZINC000306550373 662020848 /nfs/dbraw/zinc/02/08/48/662020848.db2.gz CNVQPADVUAGPCC-VIFPVBQESA-N 1 0 316.146 0.976 10 0 DCAERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCO[C@@H](c2nccs2)C1 ZINC000896287023 662257833 /nfs/dbraw/zinc/25/78/33/662257833.db2.gz YSHFWRRHIIYKKT-QWHCGFSZSA-N 1 0 323.418 0.764 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc(OC)c1 ZINC000163463075 662846517 /nfs/dbraw/zinc/84/65/17/662846517.db2.gz VBWFXYOZFAPCFF-GDBMZVCRSA-N 1 0 322.405 0.956 10 0 DCAERO CCOC(=O)c1cnc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000897535830 662855731 /nfs/dbraw/zinc/85/57/31/662855731.db2.gz PIXWGMDZAPMJDC-PWSUYJOCSA-N 1 0 322.365 0.399 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855425 663648907 /nfs/dbraw/zinc/64/89/07/663648907.db2.gz IVQSGYYMJNEERH-VXGBXAGGSA-N 1 0 303.428 0.140 10 0 DCAERO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000908195533 663741468 /nfs/dbraw/zinc/74/14/68/663741468.db2.gz QPXFZASYEFYJDS-YXWQFLTLSA-N 1 0 324.446 0.738 10 0 DCAERO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1c1cn[nH]n1 ZINC000911355737 664035477 /nfs/dbraw/zinc/03/54/77/664035477.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 0 319.409 0.762 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529091 664353972 /nfs/dbraw/zinc/35/39/72/664353972.db2.gz IXARBVCGRHRUGS-LLVKDONJSA-N 1 0 311.407 0.406 10 0 DCAERO 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AQHHGALQXNYVFZ-OAHLLOKOSA-N 1 0 311.401 0.890 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C2CCOCC2)[C@H](O)C1 ZINC000702831362 667001407 /nfs/dbraw/zinc/00/14/07/667001407.db2.gz MRCJZDBDOJQGGW-DGCLKSJQSA-N 1 0 300.399 0.983 10 0 DCAERO Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702844019 667010072 /nfs/dbraw/zinc/01/00/72/667010072.db2.gz HRGXKFQMXNLGRJ-PWSUYJOCSA-N 1 0 311.386 0.133 10 0 DCAERO Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702844651 667010341 /nfs/dbraw/zinc/01/03/41/667010341.db2.gz JSOJZWIWIDCDLX-RYUDHWBXSA-N 1 0 310.398 0.738 10 0 DCAERO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cccnc1)C2 ZINC000710137702 667445846 /nfs/dbraw/zinc/44/58/46/667445846.db2.gz IYPRNNMXYMCZLF-UHFFFAOYSA-N 1 0 310.404 0.744 10 0 DCAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710946221 667447315 /nfs/dbraw/zinc/44/73/15/667447315.db2.gz LOVBJSFIKNKHQP-XHDPSFHLSA-N 1 0 300.399 0.983 10 0 DCAERO CCOC(=O)c1ncc(C[NH2+]CC[C@]2(O)CCOC2)s1 ZINC000711434915 667464644 /nfs/dbraw/zinc/46/46/44/667464644.db2.gz HEKLPLFHSGVMBI-ZDUSSCGKSA-N 1 0 300.380 0.951 10 0 DCAERO CON(C)C(=O)C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711479148 667473723 /nfs/dbraw/zinc/47/37/23/667473723.db2.gz ZIGZIDSWFNGTHN-UHFFFAOYSA-N 1 0 301.387 0.899 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000717291316 667529577 /nfs/dbraw/zinc/52/95/77/667529577.db2.gz CYTLOZUBTUAQHT-XXILOJSOSA-N 1 0 304.184 0.814 10 0 DCAERO Cc1noc(-c2ccc(N3CCC[N@H+](CCO)CC3)nc2)n1 ZINC000742402464 667791036 /nfs/dbraw/zinc/79/10/36/667791036.db2.gz PLDOJHVAEASEIB-UHFFFAOYSA-N 1 0 303.366 0.944 10 0 DCAERO C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000717050147 667855098 /nfs/dbraw/zinc/85/50/98/667855098.db2.gz QTCCJPBDHVRZDZ-GHMZBOCLSA-N 1 0 311.398 0.798 10 0 DCAERO [NH3+][C@@H]1CN(CC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000717149514 669743513 /nfs/dbraw/zinc/74/35/13/669743513.db2.gz KUVQEZXXHSIVLV-RNFRBKRXSA-N 1 0 307.238 0.876 10 0 DCAERO [NH3+][C@H]1CN(CC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000717149492 669743636 /nfs/dbraw/zinc/74/36/36/669743636.db2.gz KUVQEZXXHSIVLV-BQBZGAKWSA-N 1 0 307.238 0.876 10 0 DCAERO [NH3+][C@H]1CN(CC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000717149520 669743664 /nfs/dbraw/zinc/74/36/64/669743664.db2.gz KUVQEZXXHSIVLV-RQJHMYQMSA-N 1 0 307.238 0.876 10 0 DCAERO CS(=O)(=O)N1CC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000187828269 669955369 /nfs/dbraw/zinc/95/53/69/669955369.db2.gz MLJVSZBTFUXBMS-UPJWGTAASA-N 1 0 300.424 0.425 10 0 DCAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000191264298 669998717 /nfs/dbraw/zinc/99/87/17/669998717.db2.gz UFOYUJXVJGCWHP-STQMWFEESA-N 1 0 312.410 0.586 10 0 DCAERO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCN1CCO ZINC000188701569 670038324 /nfs/dbraw/zinc/03/83/24/670038324.db2.gz HRWFXPXOZYTHDJ-CYBMUJFWSA-N 1 0 315.377 0.406 10 0 DCAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2cnn(Cc3ccccc3)c2)CO1 ZINC000713790013 670168242 /nfs/dbraw/zinc/16/82/42/670168242.db2.gz BWQKSUDCCPUPSO-JKSUJKDBSA-N 1 0 314.389 0.911 10 0 DCAERO COC[C@@]1(C(=O)N(C)CC(C)(C)S(C)(=O)=O)CCC[NH2+]1 ZINC000713954197 670172519 /nfs/dbraw/zinc/17/25/19/670172519.db2.gz XPBIJPJCTBRMCF-CYBMUJFWSA-N 1 0 306.428 0.037 10 0 DCAERO Cn1cnc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000714331403 670184011 /nfs/dbraw/zinc/18/40/11/670184011.db2.gz QPIIMEPZTOTTGI-UHFFFAOYSA-N 1 0 300.306 0.322 10 0 DCAERO CC(C)C(=O)N1CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716138295 670227650 /nfs/dbraw/zinc/22/76/50/670227650.db2.gz NUCBLWJZUCGYOE-UHFFFAOYSA-N 1 0 302.440 0.799 10 0 DCAERO O=S(=O)(NCC1C[C@H]2CC[C@@H](C1)S2)N1CC[NH2+]CC1 ZINC000716064270 670228561 /nfs/dbraw/zinc/22/85/61/670228561.db2.gz SGDQWFPPAWPBMA-YOGCLGLASA-N 1 0 305.469 0.400 10 0 DCAERO COc1ccccc1-c1c(N)[nH]c(N2CC[NH2+]CC2)nc1=O ZINC000757179885 670357936 /nfs/dbraw/zinc/35/79/36/670357936.db2.gz NGZSYHDRELMQAT-UHFFFAOYSA-N 1 0 301.350 0.850 10 0 DCAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(C)c1Br ZINC000389869242 685258664 /nfs/dbraw/zinc/25/86/64/685258664.db2.gz OGQAVCIJHQTPDI-IONNQARKSA-N 1 0 301.188 0.910 10 0 DCAERO CC(C)(C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000720819050 685315541 /nfs/dbraw/zinc/31/55/41/685315541.db2.gz XMYPMHFTEKBCAS-JGVFFNPUSA-N 1 0 316.345 0.405 10 0 DCAERO C[C@@H](COCc1ccccc1)CN1CCOC[C@]1(C[NH3+])CO ZINC000719410293 685309794 /nfs/dbraw/zinc/30/97/94/685309794.db2.gz IGCGJZVZIJGELD-WBVHZDCISA-N 1 0 308.422 0.861 10 0 DCAERO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000719642125 685310966 /nfs/dbraw/zinc/31/09/66/685310966.db2.gz MKQPENHZKQXAIR-STQMWFEESA-N 1 0 304.456 0.751 10 0 DCAERO O=C(C[C@H]1C[NH2+]CCO1)NCCOC(F)(F)C(F)(F)F ZINC000720298303 685312761 /nfs/dbraw/zinc/31/27/61/685312761.db2.gz QVHILXIATQYSLV-ZETCQYMHSA-N 1 0 306.231 0.653 10 0 DCAERO O=C(NCCOC(F)(F)C(F)(F)F)[C@@H]1C[NH2+]CCOC1 ZINC000720342716 685313432 /nfs/dbraw/zinc/31/34/32/685313432.db2.gz 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/nfs/dbraw/zinc/16/89/36/685168936.db2.gz CRKVRMCUNRERAG-GJZGRUSLSA-N 1 0 311.426 0.029 10 0 DCAERO CC(C)[C@@H]1C[C@H]1C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249425640 685180356 /nfs/dbraw/zinc/18/03/56/685180356.db2.gz ILEKHGYEFJCVHF-RFQIPJPRSA-N 1 0 311.426 0.925 10 0 DCAERO CC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000250514019 685184894 /nfs/dbraw/zinc/18/48/94/685184894.db2.gz DSBDOOUGOGSBEN-KGLIPLIRSA-N 1 0 302.440 0.959 10 0 DCAERO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200436 1173931112 /nfs/dbraw/zinc/93/11/12/1173931112.db2.gz REAJFYOJISTXTN-DGCLKSJQSA-N 1 0 317.455 0.305 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361610 1175487874 /nfs/dbraw/zinc/48/78/74/1175487874.db2.gz ZRXAELFMJGGFAM-VOAKCMCISA-N 1 0 302.440 0.847 10 0 DCAERO COCCn1nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1=O ZINC000127845775 1177325433 /nfs/dbraw/zinc/32/54/33/1177325433.db2.gz BIZCFTBUPCTNEI-STQMWFEESA-N 1 0 322.409 0.444 10 0 DCAERO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000245857579 1182941948 /nfs/dbraw/zinc/94/19/48/1182941948.db2.gz GVFWPNGFULNAJG-LSDHHAIUSA-N 1 0 314.426 0.391 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000174128831 1183962693 /nfs/dbraw/zinc/96/26/93/1183962693.db2.gz DZAAOYJRSJGZSE-GFCCVEGCSA-N 1 0 310.398 0.213 10 0 DCAERO O=S(=O)(NCc1csc(Br)c1)C1C[NH2+]C1 ZINC000405188908 939422583 /nfs/dbraw/zinc/42/25/83/939422583.db2.gz OCMSFFOQFPFXRC-UHFFFAOYSA-N 1 0 311.226 0.902 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCO1 ZINC000121804704 282138367 /nfs/dbraw/zinc/13/83/67/282138367.db2.gz ZLOXTZULYMXTHX-STQMWFEESA-N 1 0 307.398 0.239 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 ZINC000079004689 185145454 /nfs/dbraw/zinc/14/54/54/185145454.db2.gz HBNGMGHOYOLXJG-LBPRGKRZSA-N 1 0 312.439 0.975 10 0 DCAERO CN(C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000261783495 282150586 /nfs/dbraw/zinc/15/05/86/282150586.db2.gz POENQNRQONCISX-GHMZBOCLSA-N 1 0 309.414 0.858 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000176641845 282192618 /nfs/dbraw/zinc/19/26/18/282192618.db2.gz YOQYXGZWTQMZLW-XHSDSOJGSA-N 1 0 324.469 0.975 10 0 DCAERO CC[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1noc(C)n1 ZINC000299744471 529679727 /nfs/dbraw/zinc/67/97/27/529679727.db2.gz SMSNJXMQFXLGJF-GHMZBOCLSA-N 1 0 319.369 0.775 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2cccnc2)CC1 ZINC000174074964 529700699 /nfs/dbraw/zinc/70/06/99/529700699.db2.gz VBIBKHBDTWIVFD-HNNXBMFYSA-N 1 0 306.410 0.086 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000091762442 282266812 /nfs/dbraw/zinc/26/68/12/282266812.db2.gz SAXAINMRSAJWEB-NEPJUHHUSA-N 1 0 317.455 0.688 10 0 DCAERO CN(C)c1nc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ns1 ZINC000178461925 529802391 /nfs/dbraw/zinc/80/23/91/529802391.db2.gz ACQRHBVUYAGEQV-GFCCVEGCSA-N 1 0 311.455 0.758 10 0 DCAERO NS(=O)(=O)Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307329 545656159 /nfs/dbraw/zinc/65/61/59/545656159.db2.gz NYAUVIIRVDJTAH-LBPRGKRZSA-N 1 0 311.407 0.803 10 0 DCAERO Cn1cc(C(=O)NCC[N@H+]2CC=CCC2)c([C@@H]2CCOC2)n1 ZINC000279779162 215140146 /nfs/dbraw/zinc/14/01/46/215140146.db2.gz CEIQZRSKRLPNES-CYBMUJFWSA-N 1 0 304.394 0.916 10 0 DCAERO O=C(NCc1cc(Br)cs1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000070600038 190908338 /nfs/dbraw/zinc/90/83/38/190908338.db2.gz NCKBYMXHHZZADG-CBAPKCEASA-N 1 0 305.197 0.850 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000084060180 192397715 /nfs/dbraw/zinc/39/77/15/192397715.db2.gz ZALUDXAGJOLCCR-ZYHUDNBSSA-N 1 0 311.407 0.605 10 0 DCAERO NC(=O)COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171889232 198002565 /nfs/dbraw/zinc/00/25/65/198002565.db2.gz FTDGTCXLDBWTCG-CYBMUJFWSA-N 1 0 318.377 0.863 10 0 DCAERO c1nnc2ccc(N3CC[NH+](CCc4cccnc4)CC3)nn12 ZINC000172162133 198050214 /nfs/dbraw/zinc/05/02/14/198050214.db2.gz 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/nfs/dbraw/zinc/37/03/32/198370332.db2.gz KFFHDFQUJSTOAQ-CQSZACIVSA-N 1 0 302.382 0.921 10 0 DCAERO CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH3+])cc1 ZINC000003841989 181047861 /nfs/dbraw/zinc/04/78/61/181047861.db2.gz MIPMLZUOSKPTSA-IGQOVBAYSA-N 1 0 316.365 0.072 10 0 DCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089453546 545713675 /nfs/dbraw/zinc/71/36/75/545713675.db2.gz FAWZLUBCJDMJOL-GWCFXTLKSA-N 1 0 311.407 0.908 10 0 DCAERO Cn1c2ncn(CC[NH2+]Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000005116631 181204813 /nfs/dbraw/zinc/20/48/13/181204813.db2.gz YYJAAIPVBNSAGS-UHFFFAOYSA-N 1 0 313.361 0.224 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000157272705 283161465 /nfs/dbraw/zinc/16/14/65/283161465.db2.gz WMSHTAYMXDFBEO-NEPJUHHUSA-N 1 0 322.409 0.260 10 0 DCAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccnn3C)C2=O)n(C)n1 ZINC000177561719 198745267 /nfs/dbraw/zinc/74/52/67/198745267.db2.gz HGXBHFYUAKNCPK-ZDUSSCGKSA-N 1 0 302.382 0.747 10 0 DCAERO CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236934093 202078091 /nfs/dbraw/zinc/07/80/91/202078091.db2.gz JDMUEQASOGFQEB-IHRRRGAJSA-N 1 0 308.426 0.781 10 0 DCAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248403953 283317565 /nfs/dbraw/zinc/31/75/65/283317565.db2.gz ZLEWTFBPGHCQIP-LXTVHRRPSA-N 1 0 323.437 0.790 10 0 DCAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180167692 199125882 /nfs/dbraw/zinc/12/58/82/199125882.db2.gz HRBKTHXLGSMIDA-CMPLNLGQSA-N 1 0 321.406 0.591 10 0 DCAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180167736 199126197 /nfs/dbraw/zinc/12/61/97/199126197.db2.gz HRBKTHXLGSMIDA-PWSUYJOCSA-N 1 0 321.406 0.591 10 0 DCAERO O=C1CCCN1C[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163259113 237109874 /nfs/dbraw/zinc/10/98/74/237109874.db2.gz AOXPFQGVUXRQTG-MRXNPFEDSA-N 1 0 309.454 0.920 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000186826562 200018004 /nfs/dbraw/zinc/01/80/04/200018004.db2.gz RPOQUULKVNFGMY-GHMZBOCLSA-N 1 0 310.398 0.211 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186835157 237327613 /nfs/dbraw/zinc/32/76/13/237327613.db2.gz XSXRBRZXIJJHJN-ZDUSSCGKSA-N 1 0 314.451 0.568 10 0 DCAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCO1 ZINC000189450587 237399778 /nfs/dbraw/zinc/39/97/78/237399778.db2.gz QVZRAOGPWZDQOZ-UHFFFAOYSA-N 1 0 302.400 0.388 10 0 DCAERO COC(=O)[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188322146 200227493 /nfs/dbraw/zinc/22/74/93/200227493.db2.gz IKMANPWBTCMQBT-CYBMUJFWSA-N 1 0 314.345 0.700 10 0 DCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188480443 200253411 /nfs/dbraw/zinc/25/34/11/200253411.db2.gz IRMZQJKOJGAIQN-LLVKDONJSA-N 1 0 319.409 0.576 10 0 DCAERO COC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000155446626 291219739 /nfs/dbraw/zinc/21/97/39/291219739.db2.gz YADWVBBWHAWTGI-OAHLLOKOSA-N 1 0 318.421 0.988 10 0 DCAERO O=C([C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CCCC1 ZINC000329474638 296014747 /nfs/dbraw/zinc/01/47/47/296014747.db2.gz OUUSGEDTBICEHR-GFCCVEGCSA-N 1 0 308.382 0.077 10 0 DCAERO CCOC(=O)c1ccc(C(=O)NCCNc2cc[nH+]cc2)nc1 ZINC000449816409 240622737 /nfs/dbraw/zinc/62/27/37/240622737.db2.gz WTJSDVAHVDIZLW-UHFFFAOYSA-N 1 0 314.345 0.917 10 0 DCAERO O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250834718 284030621 /nfs/dbraw/zinc/03/06/21/284030621.db2.gz KLIDNHSSCARMDQ-LOWDOPEQSA-N 1 0 300.424 0.601 10 0 DCAERO CC[N@H+](CCc1nccs1)Cc1cn(C)c(=O)n(C)c1=O ZINC000093764663 193302114 /nfs/dbraw/zinc/30/21/14/193302114.db2.gz SGSARTZCZHAASE-UHFFFAOYSA-N 1 0 308.407 0.605 10 0 DCAERO CC[NH+]1CCN(CC(=O)NCCc2ccc(OC)cc2)CC1 ZINC000022942181 182343736 /nfs/dbraw/zinc/34/37/36/182343736.db2.gz ZJHDYWCYBKSTRJ-UHFFFAOYSA-N 1 0 305.422 0.991 10 0 DCAERO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408217472 296218466 /nfs/dbraw/zinc/21/84/66/296218466.db2.gz 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/nfs/dbraw/zinc/27/38/84/184273884.db2.gz PALCAEBNTDAPMO-VIFPVBQESA-N 1 0 306.409 0.493 10 0 DCAERO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333348990 252710158 /nfs/dbraw/zinc/71/01/58/252710158.db2.gz RDNDDUKVKUHMFH-QEJZJMRPSA-N 1 0 305.378 0.987 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCn2ccnc21 ZINC000245416402 285036731 /nfs/dbraw/zinc/03/67/31/285036731.db2.gz IDFVRRJONFSJAO-KBPBESRZSA-N 1 0 306.410 0.988 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189312203 285201578 /nfs/dbraw/zinc/20/15/78/285201578.db2.gz KUABRUYKUQIOAK-AWEZNQCLSA-N 1 0 311.426 0.568 10 0 DCAERO COc1cc2c(cc1F)ncnc2N1CC[NH+](CCO)CC1 ZINC000302152944 533165793 /nfs/dbraw/zinc/16/57/93/533165793.db2.gz CJIXUZBTEOFCIV-UHFFFAOYSA-N 1 0 306.341 0.892 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000245711738 285237269 /nfs/dbraw/zinc/23/72/69/285237269.db2.gz NHXVCEJLQVGMLX-YUTCNCBUSA-N 1 0 311.426 0.205 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NCC3CC3)C2)cn1 ZINC000248114167 257108443 /nfs/dbraw/zinc/10/84/43/257108443.db2.gz ICVGMKJWFVLHCY-PMPSAXMXSA-N 1 0 318.421 0.783 10 0 DCAERO CS(=O)(=O)N[C@@H]1COC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000247537206 257119640 /nfs/dbraw/zinc/11/96/40/257119640.db2.gz QWRGWXMETOEIDX-JHJVBQTASA-N 1 0 316.448 0.744 10 0 DCAERO COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247093122 285348797 /nfs/dbraw/zinc/34/87/97/285348797.db2.gz IESUOZXEKLRDNP-AVGNSLFASA-N 1 0 312.414 0.016 10 0 DCAERO Cn1ncc2c1ncnc2N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000275672042 130358691 /nfs/dbraw/zinc/35/86/91/130358691.db2.gz LRAWTQQSMYUZQI-ZDUSSCGKSA-N 1 0 316.409 0.910 10 0 DCAERO C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000342332026 288403207 /nfs/dbraw/zinc/40/32/07/288403207.db2.gz PQWPEOXIMRLJDF-UTUOFQBUSA-N 1 0 303.428 0.298 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000163953879 132128795 /nfs/dbraw/zinc/12/87/95/132128795.db2.gz WFLKZEPTJMBXTF-KBPBESRZSA-N 1 0 310.442 0.126 10 0 DCAERO O=C([C@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1)N1CCOCC1 ZINC000009984079 395685761 /nfs/dbraw/zinc/68/57/61/395685761.db2.gz LHSYPRKWLNMWHW-UONOGXRCSA-N 1 0 309.410 0.226 10 0 DCAERO CC(C)(C)OC(=O)[C@H](C[NH3+])NS(=O)(=O)c1ccccc1 ZINC000034751597 395718056 /nfs/dbraw/zinc/71/80/56/395718056.db2.gz FWNGNBTXQHWMHJ-NSHDSACASA-N 1 0 300.380 0.634 10 0 DCAERO COCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000035161712 395719343 /nfs/dbraw/zinc/71/93/43/395719343.db2.gz ZPIICKDFOFCUID-GFCCVEGCSA-N 1 0 301.412 0.596 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000038060892 395731397 /nfs/dbraw/zinc/73/13/97/395731397.db2.gz FSYSDNZQCULKJG-CMPLNLGQSA-N 1 0 300.380 0.400 10 0 DCAERO Cn1cnc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000038109915 395731564 /nfs/dbraw/zinc/73/15/64/395731564.db2.gz ILNFZKMWQVGROG-SECBINFHSA-N 1 0 304.803 0.542 10 0 DCAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSc1nnc(N)s1)C2 ZINC000100243829 395762832 /nfs/dbraw/zinc/76/28/32/395762832.db2.gz UDRFOWJFGHTQTC-AYMMMOKOSA-N 1 0 313.452 0.954 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CCCCCC1 ZINC000108400168 395789178 /nfs/dbraw/zinc/78/91/78/395789178.db2.gz JFMYLMNXEHTXJX-AWEZNQCLSA-N 1 0 319.471 0.808 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000111243100 395804783 /nfs/dbraw/zinc/80/47/83/395804783.db2.gz MNYJKWWJHQLRTC-CYBMUJFWSA-N 1 0 319.409 0.244 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NCCCC[NH3+] ZINC000194741752 395807023 /nfs/dbraw/zinc/80/70/23/395807023.db2.gz MNNSVBGKWOLKNB-UHFFFAOYSA-N 1 0 300.380 0.799 10 0 DCAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CNC(=O)C1 ZINC000194873526 395810497 /nfs/dbraw/zinc/81/04/97/395810497.db2.gz XRQRAMQUNFGTBM-GFCCVEGCSA-N 1 0 302.378 0.298 10 0 DCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000111683550 395812356 /nfs/dbraw/zinc/81/23/56/395812356.db2.gz BTMQKDXUZQTUEL-GFCCVEGCSA-N 1 0 323.359 0.540 10 0 DCAERO COc1ccccc1C[N@H+](CCO)C[C@@H](O)CN1CCCC1=O ZINC000111689854 395812521 /nfs/dbraw/zinc/81/25/21/395812521.db2.gz DLTCNHGWFWJNLC-OAHLLOKOSA-N 1 0 322.405 0.473 10 0 DCAERO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000118106468 395858939 /nfs/dbraw/zinc/85/89/39/395858939.db2.gz FAOZQBWITCOQBF-NSHDSACASA-N 1 0 309.341 0.983 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000052093472 395859357 /nfs/dbraw/zinc/85/93/57/395859357.db2.gz FLOABJPBCFGROP-VIFPVBQESA-N 1 0 302.352 0.323 10 0 DCAERO O=C(Cc1ccccc1)NCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195323146 395824858 /nfs/dbraw/zinc/82/48/58/395824858.db2.gz SYZKKHGPVOYVCL-OAHLLOKOSA-N 1 0 301.390 0.652 10 0 DCAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113227877 395828536 /nfs/dbraw/zinc/82/85/36/395828536.db2.gz PMSNBVWADMSSSE-GWCFXTLKSA-N 1 0 304.394 0.915 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1CC ZINC000116770999 395845486 /nfs/dbraw/zinc/84/54/86/395845486.db2.gz PNFLAMHQYDIQHP-LBPRGKRZSA-N 1 0 308.382 0.343 10 0 DCAERO CN(C)C(=O)c1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116790909 395846360 /nfs/dbraw/zinc/84/63/60/395846360.db2.gz QFRODCNBRJPRAO-OAHLLOKOSA-N 1 0 319.405 0.791 10 0 DCAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3COCCN3)C2)CC1 ZINC000236625269 395895264 /nfs/dbraw/zinc/89/52/64/395895264.db2.gz XEYWBWAWTWATIY-HOTGVXAUSA-N 1 0 309.454 0.945 10 0 DCAERO CCCCS(=O)(=O)N1CCC(C(=O)NCCC[NH3+])CC1 ZINC000236754366 395898102 /nfs/dbraw/zinc/89/81/02/395898102.db2.gz OLSQZYRHALZAJN-UHFFFAOYSA-N 1 0 305.444 0.293 10 0 DCAERO CN1C(=O)N(CC(=O)NC[C@@H]([NH3+])C2CC2)C(=O)C12CCCCC2 ZINC000237103217 395902871 /nfs/dbraw/zinc/90/28/71/395902871.db2.gz LPGLGYQEWYAUKV-GFCCVEGCSA-N 1 0 322.409 0.437 10 0 DCAERO C[C@H]1C[NH2+]CCN1c1ncc(I)cn1 ZINC000126353738 395912711 /nfs/dbraw/zinc/91/27/11/395912711.db2.gz AALJWFRJPGYOHF-ZETCQYMHSA-N 1 0 304.135 0.879 10 0 DCAERO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000237765083 395918190 /nfs/dbraw/zinc/91/81/90/395918190.db2.gz XKNGKSRAHGSIIB-UHFFFAOYSA-N 1 0 316.810 0.936 10 0 DCAERO COCC[N@H+](C)CCCNC(=O)NCc1cccc(OC)n1 ZINC000129248136 395919894 /nfs/dbraw/zinc/91/98/94/395919894.db2.gz FOCIZPWAZVKXCY-UHFFFAOYSA-N 1 0 310.398 0.858 10 0 DCAERO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1COc2ccccc2O1 ZINC000242940628 395923710 /nfs/dbraw/zinc/92/37/10/395923710.db2.gz HBGFCPLGGDLGNF-ZDUSSCGKSA-N 1 0 320.393 0.031 10 0 DCAERO Cc1cc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1C(N)=O ZINC000118819436 395864633 /nfs/dbraw/zinc/86/46/33/395864633.db2.gz FJEHYEPMNVXCMK-ZDUSSCGKSA-N 1 0 320.393 0.888 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc3n2CCCC3)C1 ZINC000052551115 395864746 /nfs/dbraw/zinc/86/47/46/395864746.db2.gz FPAQJYVYVCRPEC-LBPRGKRZSA-N 1 0 306.414 0.898 10 0 DCAERO NC(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000118943427 395865470 /nfs/dbraw/zinc/86/54/70/395865470.db2.gz OWDSDMVFAGITGV-LBPRGKRZSA-N 1 0 301.350 0.659 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000052778410 395869946 /nfs/dbraw/zinc/86/99/46/395869946.db2.gz PYCYVHQARNLVSG-JTQLQIEISA-N 1 0 317.411 0.648 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2ccnn2C)CC1 ZINC000119774053 395875602 /nfs/dbraw/zinc/87/56/02/395875602.db2.gz FBOGGOYKOZNKSW-AWEZNQCLSA-N 1 0 307.442 0.495 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000230862071 395882411 /nfs/dbraw/zinc/88/24/11/395882411.db2.gz NHNCXXMPSZILFO-IQJOONFLSA-N 1 0 318.830 0.821 10 0 DCAERO COC(=O)Cn1cc(CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)nn1 ZINC000245903486 395937838 /nfs/dbraw/zinc/93/78/38/395937838.db2.gz BNZJSNSXKWKAPL-GXTWGEPZSA-N 1 0 308.382 0.495 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CCO1 ZINC000245977938 395939660 /nfs/dbraw/zinc/93/96/60/395939660.db2.gz CKOGVVWZGKVVBQ-OLZOCXBDSA-N 1 0 309.410 0.224 10 0 DCAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)cn1 ZINC000246027932 395940046 /nfs/dbraw/zinc/94/00/46/395940046.db2.gz LJBORUSANFIEGG-OLZOCXBDSA-N 1 0 312.439 0.556 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000246330110 395946742 /nfs/dbraw/zinc/94/67/42/395946742.db2.gz OIVVMDQVUXHLPC-UPJWGTAASA-N 1 0 317.455 0.688 10 0 DCAERO Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000138477009 395952136 /nfs/dbraw/zinc/95/21/36/395952136.db2.gz JZNBBZRLBWXGCB-AWEZNQCLSA-N 1 0 321.425 0.293 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000246570521 395952674 /nfs/dbraw/zinc/95/26/74/395952674.db2.gz RTFOENNDOQNWRH-NDBYEHHHSA-N 1 0 312.414 0.047 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC000246932277 395961191 /nfs/dbraw/zinc/96/11/91/395961191.db2.gz JNFYTADUJJCDFB-ZIAGYGMSSA-N 1 0 320.441 0.734 10 0 DCAERO COCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000246935728 395961874 /nfs/dbraw/zinc/96/18/74/395961874.db2.gz LDAHLLCMIRBOLC-HOTGVXAUSA-N 1 0 321.421 0.815 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(=O)N1CCOCC1 ZINC000246972852 395962854 /nfs/dbraw/zinc/96/28/54/395962854.db2.gz NOLCCVQRYXABAP-GJZGRUSLSA-N 1 0 323.437 0.711 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CCO1 ZINC000247047446 395964572 /nfs/dbraw/zinc/96/45/72/395964572.db2.gz JHKITRJQXIXIRI-OLZOCXBDSA-N 1 0 306.428 0.148 10 0 DCAERO COC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)nc1OC ZINC000274664231 395966122 /nfs/dbraw/zinc/96/61/22/395966122.db2.gz JSFLFAHEUWKUBU-NWDGAFQWSA-N 1 0 323.393 0.768 10 0 DCAERO CS(=O)(=O)c1ccc([C@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247436764 395973048 /nfs/dbraw/zinc/97/30/48/395973048.db2.gz ZGIQJLDXTBUYOJ-GOEBONIOSA-N 1 0 324.446 0.904 10 0 DCAERO C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247542420 395976036 /nfs/dbraw/zinc/97/60/36/395976036.db2.gz RAELONGNDZZVIF-GZBFAFLISA-N 1 0 306.410 0.972 10 0 DCAERO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000248571645 395989623 /nfs/dbraw/zinc/98/96/23/395989623.db2.gz MFAJRSSLPPJAJS-GTQRCTGISA-N 1 0 324.446 0.679 10 0 DCAERO CCOCCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248601660 395990142 /nfs/dbraw/zinc/99/01/42/395990142.db2.gz JCYZIYHKLOTHBP-KBPBESRZSA-N 1 0 301.431 0.900 10 0 DCAERO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)O1 ZINC000154326653 396036722 /nfs/dbraw/zinc/03/67/22/396036722.db2.gz OAOLUUUCYQWNJD-KBPBESRZSA-N 1 0 324.425 0.289 10 0 DCAERO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261846874 396071898 /nfs/dbraw/zinc/07/18/98/396071898.db2.gz RAYUFMUNEDSKKI-GJZGRUSLSA-N 1 0 313.442 0.213 10 0 DCAERO O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258495679 396046815 /nfs/dbraw/zinc/04/68/15/396046815.db2.gz LUTFRUOMPWMOMW-NEPJUHHUSA-N 1 0 303.428 0.395 10 0 DCAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000261670850 396054673 /nfs/dbraw/zinc/05/46/73/396054673.db2.gz BVOVFJXAXKWOJD-CQSZACIVSA-N 1 0 306.410 0.952 10 0 DCAERO [NH3+][C@H](C(=O)NCc1nncn1-c1ccccc1)C1CCOCC1 ZINC000261680596 396055287 /nfs/dbraw/zinc/05/52/87/396055287.db2.gz GVZVLHMCCHKQCI-HNNXBMFYSA-N 1 0 315.377 0.637 10 0 DCAERO CCN(C)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261707192 396058548 /nfs/dbraw/zinc/05/85/48/396058548.db2.gz MDTNDJGKMRAQKW-CYBMUJFWSA-N 1 0 313.423 0.838 10 0 DCAERO Cc1cc(C)n2nc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2n1 ZINC000261744251 396061721 /nfs/dbraw/zinc/06/17/21/396061721.db2.gz IQMGUTVVGFYKPV-BETUJISGSA-N 1 0 314.393 0.813 10 0 DCAERO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCOCC1 ZINC000261753997 396062069 /nfs/dbraw/zinc/06/20/69/396062069.db2.gz LJDFFBLBCSXRRX-AWEZNQCLSA-N 1 0 321.377 0.318 10 0 DCAERO C[NH2+]C1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000261757446 396062999 /nfs/dbraw/zinc/06/29/99/396062999.db2.gz XJPFBJVYSISHCT-OLZOCXBDSA-N 1 0 318.439 0.732 10 0 DCAERO NC(=O)CCOc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261784987 396065611 /nfs/dbraw/zinc/06/56/11/396065611.db2.gz GHVUGDOTDICITO-HNNXBMFYSA-N 1 0 321.377 0.633 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249157474 396003882 /nfs/dbraw/zinc/00/38/82/396003882.db2.gz IPMQRFOEYBTUCG-YPMHNXCESA-N 1 0 317.393 0.673 10 0 DCAERO CC[N@H+](CC(=O)N1CCCN(c2cccnn2)CC1)C1CC1 ZINC000152265008 396004723 /nfs/dbraw/zinc/00/47/23/396004723.db2.gz JPPYSQWBMUWNEM-UHFFFAOYSA-N 1 0 303.410 1.000 10 0 DCAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249354805 396006042 /nfs/dbraw/zinc/00/60/42/396006042.db2.gz QSZSWGOLPUITKB-WQVCFCJDSA-N 1 0 304.390 0.387 10 0 DCAERO CSC[C@H](O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000249427070 396007955 /nfs/dbraw/zinc/00/79/55/396007955.db2.gz GBDJRYCVFNFJIS-LSDHHAIUSA-N 1 0 301.500 0.812 10 0 DCAERO O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000249891940 396012821 /nfs/dbraw/zinc/01/28/21/396012821.db2.gz QRXWDUBEMYLAMK-CABCVRRESA-N 1 0 305.422 0.942 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC000153058246 396020836 /nfs/dbraw/zinc/02/08/36/396020836.db2.gz WVBUTTAIEOPBRV-MGPQQGTHSA-N 1 0 309.410 0.211 10 0 DCAERO CN1C(=O)c2cccn2C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000169749291 396090735 /nfs/dbraw/zinc/09/07/35/396090735.db2.gz YVNBHTPGFYEUPF-AWEZNQCLSA-N 1 0 304.394 0.544 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000170844877 396098564 /nfs/dbraw/zinc/09/85/64/396098564.db2.gz ZULNEMZGYRXBBF-LLVKDONJSA-N 1 0 309.341 0.935 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000170856666 396098697 /nfs/dbraw/zinc/09/86/97/396098697.db2.gz SHJHIDPVHJXPPK-OAHLLOKOSA-N 1 0 303.406 0.898 10 0 DCAERO Cn1nccc1CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000278002337 396100070 /nfs/dbraw/zinc/10/00/70/396100070.db2.gz PKQILERIXYDVLP-UHFFFAOYSA-N 1 0 306.410 0.724 10 0 DCAERO O=C(c1sccc1-n1cnnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586382 396119428 /nfs/dbraw/zinc/11/94/28/396119428.db2.gz VOTYWPARXARSTM-SNVBAGLBSA-N 1 0 304.379 0.644 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000262374966 396132158 /nfs/dbraw/zinc/13/21/58/396132158.db2.gz KOVDIPRNOGTLOM-IHRRRGAJSA-N 1 0 309.410 0.224 10 0 DCAERO [NH3+]CC1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCOCC1 ZINC000261871668 396074301 /nfs/dbraw/zinc/07/43/01/396074301.db2.gz DEHRMHHLGHGHSG-AWEZNQCLSA-N 1 0 323.437 0.507 10 0 DCAERO CCn1nccc1S(=O)(=O)NCC1(COC)CC[NH2+]CC1 ZINC000261932730 396081115 /nfs/dbraw/zinc/08/11/15/396081115.db2.gz CVZIQRHHDRLLEP-UHFFFAOYSA-N 1 0 316.427 0.198 10 0 DCAERO COc1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263203121 396206081 /nfs/dbraw/zinc/20/60/81/396206081.db2.gz JHRMQAAWWVKJSB-PWSUYJOCSA-N 1 0 302.321 0.967 10 0 DCAERO CC[C@H](NC(=O)C1C[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000263237761 396208376 /nfs/dbraw/zinc/20/83/76/396208376.db2.gz BUEXRUIHLSQYRD-AWEZNQCLSA-N 1 0 319.405 0.940 10 0 DCAERO Cn1cc(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000262495073 396147029 /nfs/dbraw/zinc/14/70/29/396147029.db2.gz LHOOVZQLIAHBRF-HEHGZKQESA-N 1 0 306.410 0.611 10 0 DCAERO CC[NH+](CC)CCN(CCOC)c1ccc(C(=O)NC)nn1 ZINC000177046821 396165751 /nfs/dbraw/zinc/16/57/51/396165751.db2.gz OVDLUEQMWQNORZ-UHFFFAOYSA-N 1 0 309.414 0.631 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[N@@H+]1C1CC1 ZINC000177200703 396168789 /nfs/dbraw/zinc/16/87/89/396168789.db2.gz ORUCZXFDIACWEM-NXEZZACHSA-N 1 0 308.382 0.058 10 0 DCAERO CS[C@H](CO)[C@@H](C)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262716026 396175426 /nfs/dbraw/zinc/17/54/26/396175426.db2.gz GTJCGZVXCFEEOA-NTZNESFSSA-N 1 0 312.439 0.650 10 0 DCAERO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263273339 396211240 /nfs/dbraw/zinc/21/12/40/396211240.db2.gz SNMVRNSGERFMAP-DGCLKSJQSA-N 1 0 317.380 0.601 10 0 DCAERO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCN1c1cccnn1 ZINC000262746462 396178430 /nfs/dbraw/zinc/17/84/30/396178430.db2.gz FUWKLLNXIXIOMD-OLZOCXBDSA-N 1 0 321.450 0.657 10 0 DCAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000262766076 396180004 /nfs/dbraw/zinc/18/00/04/396180004.db2.gz UDZGYPXIXCQUQN-CQSZACIVSA-N 1 0 313.423 0.827 10 0 DCAERO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(F)c1 ZINC000177677234 396181219 /nfs/dbraw/zinc/18/12/19/396181219.db2.gz ZDNLNALAJOMUMW-LBPRGKRZSA-N 1 0 323.368 0.862 10 0 DCAERO CSCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262785965 396182165 /nfs/dbraw/zinc/18/21/65/396182165.db2.gz JROYXBJZPVWDCN-GFCCVEGCSA-N 1 0 311.407 0.319 10 0 DCAERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-n2cncn2)cc1 ZINC000177802526 396183839 /nfs/dbraw/zinc/18/38/39/396183839.db2.gz YBWMGVFYWRHDJT-LLVKDONJSA-N 1 0 309.395 0.467 10 0 DCAERO C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)CC1(C)OCCO1 ZINC000262820362 396184589 /nfs/dbraw/zinc/18/45/89/396184589.db2.gz WSVINNHOTVWDIO-JTQLQIEISA-N 1 0 308.382 0.574 10 0 DCAERO C[C@H]1C[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC[NH2+]1 ZINC000262875887 396189011 /nfs/dbraw/zinc/18/90/11/396189011.db2.gz MVCTZGPDBZJQLA-WDEREUQCSA-N 1 0 316.361 0.359 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccccn3)CC[C@@H]21 ZINC000178549797 396198136 /nfs/dbraw/zinc/19/81/36/396198136.db2.gz IJZCPBSTRISNRI-HIFRSBDPSA-N 1 0 316.405 0.754 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000263041744 396199357 /nfs/dbraw/zinc/19/93/57/396199357.db2.gz DTJKENGTYUBAMR-NHYWBVRUSA-N 1 0 314.389 0.590 10 0 DCAERO C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000263111500 396202148 /nfs/dbraw/zinc/20/21/48/396202148.db2.gz DUOQHOCGTNRVIL-UHFFFAOYSA-N 1 0 313.423 0.341 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000180833950 396235558 /nfs/dbraw/zinc/23/55/58/396235558.db2.gz ZHPUQGXVYBVVRA-HZPDHXFCSA-N 1 0 319.453 0.937 10 0 DCAERO CC[C@@H]1CN(C(=O)NCCn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000181769477 396242375 /nfs/dbraw/zinc/24/23/75/396242375.db2.gz NMARFCQFIMRSMN-ZIAGYGMSSA-N 1 0 309.414 0.370 10 0 DCAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000182013530 396244991 /nfs/dbraw/zinc/24/49/91/396244991.db2.gz YOJUNHWOOAHVCQ-NSHDSACASA-N 1 0 309.395 0.467 10 0 DCAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](CO)C1 ZINC000078909610 396258155 /nfs/dbraw/zinc/25/81/55/396258155.db2.gz HOCLSGBMHXCNTN-BARDWOONSA-N 1 0 313.442 0.756 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000183141908 396262828 /nfs/dbraw/zinc/26/28/28/396262828.db2.gz RCALGXQNDDAAOO-NSHDSACASA-N 1 0 312.391 0.812 10 0 DCAERO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)cnn1C ZINC000183377740 396267969 /nfs/dbraw/zinc/26/79/69/396267969.db2.gz VSUHUYJXUDRJBO-PWSUYJOCSA-N 1 0 307.398 0.103 10 0 DCAERO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2(CO)CC2)CC1 ZINC000183706799 396273088 /nfs/dbraw/zinc/27/30/88/396273088.db2.gz GHHMKUIGKQMDHK-GFCCVEGCSA-N 1 0 312.410 0.681 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)NCC1CC1 ZINC000183793114 396275109 /nfs/dbraw/zinc/27/51/09/396275109.db2.gz WRWSZYJTQCGPRD-KGLIPLIRSA-N 1 0 308.426 0.781 10 0 DCAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC(=O)NCC2CC2)C1 ZINC000183795902 396275498 /nfs/dbraw/zinc/27/54/98/396275498.db2.gz MJDMZJPPMSWCPV-KGLIPLIRSA-N 1 0 308.426 0.638 10 0 DCAERO COc1ccc(-c2noc(CN3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179171875 396222859 /nfs/dbraw/zinc/22/28/59/396222859.db2.gz SLKMKSRGMDQKLC-NEPJUHHUSA-N 1 0 305.334 0.673 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)N1CCOCC1 ZINC000179641626 396228278 /nfs/dbraw/zinc/22/82/78/396228278.db2.gz QLYJUTGHACMGJV-CYBMUJFWSA-N 1 0 314.430 0.121 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184418737 396295468 /nfs/dbraw/zinc/29/54/68/396295468.db2.gz GKAPCEGJOGNYPD-ZDUSSCGKSA-N 1 0 321.425 0.776 10 0 DCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccon1 ZINC000185706538 396333439 /nfs/dbraw/zinc/33/34/39/396333439.db2.gz RWGZHWBLJIGQTC-ZDUSSCGKSA-N 1 0 316.361 0.902 10 0 DCAERO Cc1nnc2ccc(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)cn12 ZINC000285853301 396358416 /nfs/dbraw/zinc/35/84/16/396358416.db2.gz 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/nfs/dbraw/zinc/42/05/26/396420526.db2.gz WLKDTBPIXNAMNV-UHFFFAOYSA-N 1 0 309.410 0.368 10 0 DCAERO Cn1c2ccc(CN3CCO[C@@H](C(N)=O)C3)cc2sc1=O ZINC000192621722 396432912 /nfs/dbraw/zinc/43/29/12/396432912.db2.gz XWBBXYBKHZRHKD-LLVKDONJSA-N 1 0 307.375 0.286 10 0 DCAERO Cn1c2ccc(CN3CCO[C@H](C(N)=O)C3)cc2sc1=O ZINC000192621699 396433301 /nfs/dbraw/zinc/43/33/01/396433301.db2.gz XWBBXYBKHZRHKD-NSHDSACASA-N 1 0 307.375 0.286 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000192788846 396437561 /nfs/dbraw/zinc/43/75/61/396437561.db2.gz VPTGOPFNGZISJS-MCIONIFRSA-N 1 0 302.440 0.959 10 0 DCAERO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192776596 396437570 /nfs/dbraw/zinc/43/75/70/396437570.db2.gz KKYWKUVDEVQPDM-ZDUSSCGKSA-N 1 0 322.409 0.309 10 0 DCAERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]([NH3+])CCC(N)=O)C2)cc1 ZINC000193263829 396447640 /nfs/dbraw/zinc/44/76/40/396447640.db2.gz YWWDHOIUHBCUOM-NJZAAPMLSA-N 1 0 319.405 0.992 10 0 DCAERO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@@H](C2CC2)[NH+]2CCCC2)n1 ZINC000372395613 396514335 /nfs/dbraw/zinc/51/43/35/396514335.db2.gz BIOGCLHGFHAJIA-MGPQQGTHSA-N 1 0 320.393 0.887 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CN1C1CC1 ZINC000527752837 396547764 /nfs/dbraw/zinc/54/77/64/396547764.db2.gz IUSIVPWLMLBMAK-RVKKMQEKSA-N 1 0 323.481 0.817 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000581370208 396548847 /nfs/dbraw/zinc/54/88/47/396548847.db2.gz MWSGYLYVYDVGAX-PBHICJAKSA-N 1 0 322.453 0.141 10 0 DCAERO CN1CCO[C@@H](CNC(=O)c2ncsc2Br)C1 ZINC000581567404 396566170 /nfs/dbraw/zinc/56/61/70/396566170.db2.gz ADLAOOBUOGLCSQ-ZETCQYMHSA-N 1 0 320.212 0.966 10 0 DCAERO COc1ccccc1CC1(O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000373966429 396627137 /nfs/dbraw/zinc/62/71/37/396627137.db2.gz BHEVECGUMMSPMF-AWEZNQCLSA-N 1 0 304.390 0.953 10 0 DCAERO COc1cc(C(=O)N(C)CCC[NH+](C)C)ccc1OCC(N)=O ZINC000561310773 396638818 /nfs/dbraw/zinc/63/88/18/396638818.db2.gz PAAFFMLKSGMVHB-UHFFFAOYSA-N 1 0 323.393 0.583 10 0 DCAERO CC[C@H](C)[C@@H](NC(=O)CN1CCOCC[C@H]1C)C(=O)OC ZINC000374990185 396702849 /nfs/dbraw/zinc/70/28/49/396702849.db2.gz RZWPMWBXQUNNPG-OUCADQQQSA-N 1 0 300.399 0.801 10 0 DCAERO CSC1(CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000589087704 396703631 /nfs/dbraw/zinc/70/36/31/396703631.db2.gz FLAQWXIHUPYXRK-NWDGAFQWSA-N 1 0 311.451 0.693 10 0 DCAERO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000300155997 396715165 /nfs/dbraw/zinc/71/51/65/396715165.db2.gz APHDKFDNJLDVFP-YNEHKIRRSA-N 1 0 318.439 0.684 10 0 DCAERO Cc1cnc(C)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000375177511 396715829 /nfs/dbraw/zinc/71/58/29/396715829.db2.gz RFPUJRHZWFGNQT-UHFFFAOYSA-N 1 0 306.410 0.757 10 0 DCAERO CCOC(=O)C1CCC(O)(CN2CCN(C3CC3)C(=O)C2)CC1 ZINC000617538350 396750897 /nfs/dbraw/zinc/75/08/97/396750897.db2.gz VLNYSEBWQSKQKU-UHFFFAOYSA-N 1 0 324.421 0.777 10 0 DCAERO NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375468848 396752284 /nfs/dbraw/zinc/75/22/84/396752284.db2.gz KOTIKXJCZRQGTJ-JTQLQIEISA-N 1 0 307.354 0.711 10 0 DCAERO Cc1ncsc1CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000312011313 396763212 /nfs/dbraw/zinc/76/32/12/396763212.db2.gz RXDRXBWJFRAWQZ-SNVBAGLBSA-N 1 0 305.425 0.202 10 0 DCAERO COC(=O)c1cncc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000611219509 396837637 /nfs/dbraw/zinc/83/76/37/396837637.db2.gz ROZFSHKYDLAZIS-UHFFFAOYSA-N 1 0 317.349 0.879 10 0 DCAERO Cn1nncc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000376000470 396859701 /nfs/dbraw/zinc/85/97/01/396859701.db2.gz PGHFHRGFQDSLGW-CYBMUJFWSA-N 1 0 306.414 0.057 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)Cn2cncn2)c1 ZINC000564847588 396882465 /nfs/dbraw/zinc/88/24/65/396882465.db2.gz OHCHFPOXUQLSCO-IUODEOHRSA-N 1 0 318.377 0.899 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000634582142 396888329 /nfs/dbraw/zinc/88/83/29/396888329.db2.gz LJNCEEOORONMLO-TZMCWYRMSA-N 1 0 319.409 0.387 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)N2CCCCCC2)[C@](C)(C[NH3+])C1 ZINC000630364302 396996367 /nfs/dbraw/zinc/99/63/67/396996367.db2.gz RVDMRUUTCIAIMG-OLZOCXBDSA-N 1 0 305.444 0.545 10 0 DCAERO CCN(CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000377566455 397102436 /nfs/dbraw/zinc/10/24/36/397102436.db2.gz UEYNMEQTRMCFDR-VXGBXAGGSA-N 1 0 305.444 0.162 10 0 DCAERO c1c(CNCCOC[C@H]2CCCO2)nnn1C[C@H]1CCOC1 ZINC000631074310 397164671 /nfs/dbraw/zinc/16/46/71/397164671.db2.gz YGFNBILPGPSVPF-UKRRQHHQSA-N 1 0 310.398 0.600 10 0 DCAERO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000380256060 397269563 /nfs/dbraw/zinc/26/95/63/397269563.db2.gz PNMMEFRFVOHOLU-DGIBIBHMSA-N 1 0 316.448 0.896 10 0 DCAERO CN1CCN(C(=O)c2coc(Br)c2)[C@H](C[NH3+])C1 ZINC000383370257 397277366 /nfs/dbraw/zinc/27/73/66/397277366.db2.gz YLOLEBTYPULWPP-SECBINFHSA-N 1 0 302.172 0.757 10 0 DCAERO CCc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)s1 ZINC000390204272 397300110 /nfs/dbraw/zinc/30/01/10/397300110.db2.gz JWWOYDXBBSWEOA-SNVBAGLBSA-N 1 0 304.437 0.967 10 0 DCAERO c1ncn(-c2cncc(NCCCC[NH+]3CCOCC3)n2)n1 ZINC000620931106 397322855 /nfs/dbraw/zinc/32/28/55/397322855.db2.gz WWQVBWUHTYCASD-UHFFFAOYSA-N 1 0 303.370 0.582 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+](CCCO)C1CC1 ZINC000404313432 397329306 /nfs/dbraw/zinc/32/93/06/397329306.db2.gz RKSDABBUDLSCPF-ZDUSSCGKSA-N 1 0 318.373 0.490 10 0 DCAERO CN(CCCO)C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000460032984 397441861 /nfs/dbraw/zinc/44/18/61/397441861.db2.gz OPTZFLSQTQFIPU-UHFFFAOYSA-N 1 0 313.442 0.408 10 0 DCAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000614580444 397474010 /nfs/dbraw/zinc/47/40/10/397474010.db2.gz SUDSRPGHQWAQNM-UHFFFAOYSA-N 1 0 308.426 0.922 10 0 DCAERO CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422721 397664596 /nfs/dbraw/zinc/66/45/96/397664596.db2.gz QOCUCHKHNWQMNY-LBPRGKRZSA-N 1 0 322.457 0.924 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]2CO)C1 ZINC000157108191 545850232 /nfs/dbraw/zinc/85/02/32/545850232.db2.gz FFZBHZRJHHHJEM-UONOGXRCSA-N 1 0 304.456 0.895 10 0 DCAERO COCCCS(=O)(=O)NCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177688462 292371486 /nfs/dbraw/zinc/37/14/86/292371486.db2.gz IGZHCFBXPCSIMP-UONOGXRCSA-N 1 0 321.487 0.357 10 0 DCAERO NC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064664918 158033278 /nfs/dbraw/zinc/03/32/78/158033278.db2.gz DSKMGXYUVYIOKW-LLVKDONJSA-N 1 0 310.423 0.745 10 0 DCAERO CCS(=O)(=O)NCCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068830464 158043760 /nfs/dbraw/zinc/04/37/60/158043760.db2.gz CHAJKXSQBSRREM-ZDUSSCGKSA-N 1 0 319.471 0.111 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H](C)CO)CC1 ZINC000077775255 158070025 /nfs/dbraw/zinc/07/00/25/158070025.db2.gz FETAMXSZERQVOV-HUUCEWRRSA-N 1 0 314.474 0.720 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccon1 ZINC000097598683 158125883 /nfs/dbraw/zinc/12/58/83/158125883.db2.gz WEVPCBUUVILTBX-GFCCVEGCSA-N 1 0 303.384 0.205 10 0 DCAERO 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/nfs/dbraw/zinc/35/69/33/159356933.db2.gz SUACFTNYBSVYOP-GFCCVEGCSA-N 1 0 302.382 0.814 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407995638 160006101 /nfs/dbraw/zinc/00/61/01/160006101.db2.gz IZOAFYGPVHTGBX-CHWSQXEVSA-N 1 0 317.455 0.401 10 0 DCAERO COCC[C@H](C)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408027863 160016046 /nfs/dbraw/zinc/01/60/46/160016046.db2.gz NADFYCUUUNXSGH-AVGNSLFASA-N 1 0 306.428 0.146 10 0 DCAERO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 ZINC000408043603 160020821 /nfs/dbraw/zinc/02/08/21/160020821.db2.gz KTVYGTJSZHDBIF-YWPYICTPSA-N 1 0 310.398 0.888 10 0 DCAERO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000408059366 160025882 /nfs/dbraw/zinc/02/58/82/160025882.db2.gz AWGBWRIMGAOWCG-WDEREUQCSA-N 1 0 309.322 0.006 10 0 DCAERO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000408088433 160033211 /nfs/dbraw/zinc/03/32/11/160033211.db2.gz FRQPCJUAJYEACK-SGMGOOAPSA-N 1 0 312.410 0.489 10 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C[C@H](C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)N1CCOCC1 ZINC000182278119 298791018 /nfs/dbraw/zinc/79/10/18/298791018.db2.gz SNZCMKINXUKYOX-RDBSUJKOSA-N 1 0 304.456 0.653 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000178646747 298959542 /nfs/dbraw/zinc/95/95/42/298959542.db2.gz WNPTWNZPAZCFSC-GXTWGEPZSA-N 1 0 304.394 0.930 10 0 DCAERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000333481756 300379774 /nfs/dbraw/zinc/37/97/74/300379774.db2.gz BNBSLBXUFCPZCX-NNYUYHANSA-N 1 0 303.428 0.188 10 0 DCAERO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc12 ZINC000193411450 302791849 /nfs/dbraw/zinc/79/18/49/302791849.db2.gz BOCMQTRHEYMROJ-NOZJJQNGSA-N 1 0 323.422 0.553 10 0 DCAERO O=S(=O)(c1ccc(Cl)s1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000580414906 337399545 /nfs/dbraw/zinc/39/95/45/337399545.db2.gz VVLPDVPUUSQHGQ-JGVFFNPUSA-N 1 0 308.812 0.763 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000154717380 517642965 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CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000190094406 523404658 /nfs/dbraw/zinc/40/46/58/523404658.db2.gz SRHSAFATBNIJSN-AAEUAGOBSA-N 1 0 305.382 0.537 10 0 DCAERO CO[C@@H]1CC[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000364999449 523720873 /nfs/dbraw/zinc/72/08/73/523720873.db2.gz FLURDTRMRWZILX-DLBZAZTESA-N 1 0 311.470 0.940 10 0 DCAERO CO[C@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818486 523839315 /nfs/dbraw/zinc/83/93/15/523839315.db2.gz KHUBOXKLCNLIRZ-CABCVRRESA-N 1 0 313.442 0.275 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccs1 ZINC000247476146 523840529 /nfs/dbraw/zinc/84/05/29/523840529.db2.gz TVLIMBMFSJOFMF-MFKMUULPSA-N 1 0 310.423 0.916 10 0 DCAERO C[C@@H](CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000237333939 524356474 /nfs/dbraw/zinc/35/64/74/524356474.db2.gz IIWPLXUNNXDXEG-NSHDSACASA-N 1 0 314.382 0.810 10 0 DCAERO Cc1cccc(CN2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000163646034 524396936 /nfs/dbraw/zinc/39/69/36/524396936.db2.gz IWPKQIVPZAJQKZ-HOTGVXAUSA-N 1 0 303.406 0.362 10 0 DCAERO Cc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c(C[NH+](C)C)c1 ZINC000155932806 525088958 /nfs/dbraw/zinc/08/89/58/525088958.db2.gz TYWCTVNTZJFDRG-LBPRGKRZSA-N 1 0 304.350 0.593 10 0 DCAERO C[C@H](O)CN1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000189685007 525759881 /nfs/dbraw/zinc/75/98/81/525759881.db2.gz ISVDWVJCEBNWGV-RDJZCZTQSA-N 1 0 319.449 0.684 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246290438 525931206 /nfs/dbraw/zinc/93/12/06/525931206.db2.gz AJIOBDKXCIDPHS-HIFRSBDPSA-N 1 0 322.453 0.282 10 0 DCAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000162685146 526067826 /nfs/dbraw/zinc/06/78/26/526067826.db2.gz GTUGJVKKGYAHIS-DQCMRGAYSA-N 1 0 310.419 0.932 10 0 DCAERO COc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)C2)c1 ZINC000261829725 526158477 /nfs/dbraw/zinc/15/84/77/526158477.db2.gz PYIHETSXWJJALT-MAZHCROVSA-N 1 0 319.405 0.896 10 0 DCAERO 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545981023 /nfs/dbraw/zinc/98/10/23/545981023.db2.gz KRIMZSDSSCJBIB-AAEUAGOBSA-N 1 0 312.797 0.978 10 0 DCAERO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262223412 545981271 /nfs/dbraw/zinc/98/12/71/545981271.db2.gz JQWGEZUIIFDXIQ-CMPLNLGQSA-N 1 0 305.334 0.482 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(F)cccc1Br ZINC000262238894 545981382 /nfs/dbraw/zinc/98/13/82/545981382.db2.gz KUILUCUICOWQPR-XCBNKYQSSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cn2cccn2)cc1 ZINC000262250183 545982090 /nfs/dbraw/zinc/98/20/90/545982090.db2.gz LOERPBHKZSKJQY-CABCVRRESA-N 1 0 300.362 0.242 10 0 DCAERO O=C(CCc1ccc2c(c1)OCCO2)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262312134 545982916 /nfs/dbraw/zinc/98/29/16/545982916.db2.gz QMMKWUQXDGWHBR-OLZOCXBDSA-N 1 0 306.362 0.087 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)c(F)c1 ZINC000262343433 545983525 /nfs/dbraw/zinc/98/35/25/545983525.db2.gz TXPJCCAEGNAAIY-KWQFWETISA-N 1 0 317.158 0.898 10 0 DCAERO COCc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262326456 545983540 /nfs/dbraw/zinc/98/35/40/545983540.db2.gz RWMOLTRCNOEKGZ-ZWNOBZJWSA-N 1 0 304.346 0.889 10 0 DCAERO O=C(CCc1ccc(OC(F)F)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262327698 545983546 /nfs/dbraw/zinc/98/35/46/545983546.db2.gz RXXSXNWBWZBNKR-DGCLKSJQSA-N 1 0 314.332 0.917 10 0 DCAERO CCOc1ccc(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262326310 545983551 /nfs/dbraw/zinc/98/35/51/545983551.db2.gz RUNMOWWAOJOUKX-CZUORRHYSA-N 1 0 320.389 0.745 10 0 DCAERO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262325247 545983591 /nfs/dbraw/zinc/98/35/91/545983591.db2.gz RTEXABTZJIFKEA-PWSUYJOCSA-N 1 0 302.296 0.944 10 0 DCAERO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262344859 545983794 /nfs/dbraw/zinc/98/37/94/545983794.db2.gz TZPWMMFBCQCOIV-PWSUYJOCSA-N 1 0 321.402 0.951 10 0 DCAERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C2CCCCC2)n1 ZINC000262348393 545984438 /nfs/dbraw/zinc/98/44/38/545984438.db2.gz UIAOJOYYOUHGMU-GXTWGEPZSA-N 1 0 306.410 0.778 10 0 DCAERO Cc1ccccc1C1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC000262405399 545985002 /nfs/dbraw/zinc/98/50/02/545985002.db2.gz YWBIBTCJLTZYBS-HOCLYGCPSA-N 1 0 318.417 0.740 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262407479 545985316 /nfs/dbraw/zinc/98/53/16/545985316.db2.gz YZBNTJOYXZBWOV-HZMBPMFUSA-N 1 0 320.780 0.836 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262382380 545985619 /nfs/dbraw/zinc/98/56/19/545985619.db2.gz XEMXEGOBVKFCAF-UKRRQHHQSA-N 1 0 308.426 0.395 10 0 DCAERO O=S1(=O)CCCN1CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328677134 546037744 /nfs/dbraw/zinc/03/77/44/546037744.db2.gz RZOHGZRLLIRFQZ-ZIAGYGMSSA-N 1 0 302.440 0.649 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000333287517 546076257 /nfs/dbraw/zinc/07/62/57/546076257.db2.gz NUFWKLPFOGZNAW-BFHYXJOUSA-N 1 0 305.426 0.623 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000333423167 546080963 /nfs/dbraw/zinc/08/09/63/546080963.db2.gz SVURBORBVJYEKA-MCIONIFRSA-N 1 0 303.410 0.958 10 0 DCAERO CC(C)c1nnc2n1C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000333540749 546083825 /nfs/dbraw/zinc/08/38/25/546083825.db2.gz JFEAATXRABMALR-NEPJUHHUSA-N 1 0 306.414 0.720 10 0 DCAERO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)[C@@H]1C(C)C ZINC000888095398 661166115 /nfs/dbraw/zinc/16/61/15/661166115.db2.gz YEMYLLQFZURPHL-TXCZRRACSA-N 1 0 320.437 0.938 10 0 DCAERO Cn1ncc(N2CC[C@@H](CC[NH3+])C2)c(Br)c1=O ZINC000723672291 657458797 /nfs/dbraw/zinc/45/87/97/657458797.db2.gz LSZJCYSENCIHFF-MRVPVSSYSA-N 1 0 301.188 0.718 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000725118319 658149616 /nfs/dbraw/zinc/14/96/16/658149616.db2.gz WKPLFMPUVRIGQH-LBPRGKRZSA-N 1 0 304.437 0.710 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1CC ZINC000246987317 658327664 /nfs/dbraw/zinc/32/76/64/658327664.db2.gz KMNFUSHEFOVMAB-UONOGXRCSA-N 1 0 312.410 0.899 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)N[C@](C)(COC)C1=O ZINC000177159632 658707297 /nfs/dbraw/zinc/70/72/97/658707297.db2.gz WGOVETGJGVKPFM-SWLSCSKDSA-N 1 0 312.414 0.317 10 0 DCAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120985357 658887880 /nfs/dbraw/zinc/88/78/80/658887880.db2.gz GPCJEVFHGASAEM-QWHCGFSZSA-N 1 0 302.382 0.550 10 0 DCAERO CN(CCOc1ccc(Cl)cc1)S(=O)(=O)C1C[NH2+]C1 ZINC000722237538 659400882 /nfs/dbraw/zinc/40/08/82/659400882.db2.gz VRLJBDJHPGWABN-UHFFFAOYSA-N 1 0 304.799 0.952 10 0 DCAERO COCCN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C ZINC000194145705 659481650 /nfs/dbraw/zinc/48/16/50/659481650.db2.gz DLDHORUTVHHFBB-LLVKDONJSA-N 1 0 316.352 0.941 10 0 DCAERO COc1cccc(N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000261629503 661334729 /nfs/dbraw/zinc/33/47/29/661334729.db2.gz BVUAKLGQPUFELE-UHFFFAOYSA-N 1 0 319.405 0.852 10 0 DCAERO C[C@@H]([NH3+])CC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000261668867 661379844 /nfs/dbraw/zinc/37/98/44/661379844.db2.gz ALFZKWXWFFOVIV-CHWSQXEVSA-N 1 0 310.442 0.315 10 0 DCAERO C[NH2+][C@H](C)Cc1noc(Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000261675265 661385693 /nfs/dbraw/zinc/38/56/93/661385693.db2.gz GLQLLXYTASHOPX-SECBINFHSA-N 1 0 315.333 0.684 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361708474 665803202 /nfs/dbraw/zinc/80/32/02/665803202.db2.gz ZJYPKVALMOKBGH-HZSPNIEDSA-N 1 0 311.451 0.851 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)Nc1ccccc1C(=O)NC1CC1 ZINC000262297184 662314270 /nfs/dbraw/zinc/31/42/70/662314270.db2.gz NZJISHXJVFQHOI-LBPRGKRZSA-N 1 0 303.362 0.896 10 0 DCAERO CCN(CC)C(=O)C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262323913 662325927 /nfs/dbraw/zinc/32/59/27/662325927.db2.gz DBOHIFZVIVTMMN-AWEZNQCLSA-N 1 0 311.426 0.472 10 0 DCAERO O=C(NC[C@H](O)C(F)(F)F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729620085 662905573 /nfs/dbraw/zinc/90/55/73/662905573.db2.gz VBLKOKZEXMHSFO-BBBLOLIVSA-N 1 0 311.304 0.072 10 0 DCAERO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000900591672 663258043 /nfs/dbraw/zinc/25/80/43/663258043.db2.gz NRGYMDIKDRCTBW-CJNGLKHVSA-N 1 0 319.409 0.335 10 0 DCAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)C1 ZINC000908096059 663732938 /nfs/dbraw/zinc/73/29/38/663732938.db2.gz LSHCBFFGIVCZTR-XJKSGUPXSA-N 1 0 321.425 0.737 10 0 DCAERO C[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CC[N@@H+]1CCO ZINC000187667925 664611906 /nfs/dbraw/zinc/61/19/06/664611906.db2.gz PTDXOKJFZDQPJR-ABAIWWIYSA-N 1 0 300.349 0.997 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000063168122 664626436 /nfs/dbraw/zinc/62/64/36/664626436.db2.gz UDAREBVYVOQZID-LBPRGKRZSA-N 1 0 311.407 0.548 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCNC(=O)C1(C)C ZINC000702360746 666946254 /nfs/dbraw/zinc/94/62/54/666946254.db2.gz YWPGFWXDUJTMEQ-CQSZACIVSA-N 1 0 318.421 0.183 10 0 DCAERO C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000702390666 666947662 /nfs/dbraw/zinc/94/76/62/666947662.db2.gz JOMDCIADSNDRBW-CVEARBPZSA-N 1 0 305.422 0.941 10 0 DCAERO C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CO ZINC000705070258 667274904 /nfs/dbraw/zinc/27/49/04/667274904.db2.gz GCHVXCGUQOJLDS-LALPHHSUSA-N 1 0 302.415 0.965 10 0 DCAERO C[C@]1(C(F)(F)F)CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000709552244 667445174 /nfs/dbraw/zinc/44/51/74/667445174.db2.gz ZBCIQKAOGYNHMQ-UWVGGRQHSA-N 1 0 316.345 0.579 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709801266 667445701 /nfs/dbraw/zinc/44/57/01/667445701.db2.gz BJNDYGMFBOMZRX-RKDXNWHRSA-N 1 0 303.350 0.640 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)CCN2CCNC2=O)C1 ZINC000886078443 667729810 /nfs/dbraw/zinc/72/98/10/667729810.db2.gz RIJGELUQONAJCE-ZNMIVQPWSA-N 1 0 310.442 0.585 10 0 DCAERO C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717052771 667867191 /nfs/dbraw/zinc/86/71/91/667867191.db2.gz WGDHJWCXXGACMQ-QWRGUYRKSA-N 1 0 311.398 0.940 10 0 DCAERO COCCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717062560 668140194 /nfs/dbraw/zinc/14/01/94/668140194.db2.gz AVMFHMFMQDACOF-RKDXNWHRSA-N 1 0 304.334 0.564 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159204928 669934783 /nfs/dbraw/zinc/93/47/83/669934783.db2.gz NCDSMKABKUGCII-CQSZACIVSA-N 1 0 320.418 0.652 10 0 DCAERO CCC[C@H]1CN(CN2CCOC2=S)CC[N@@H+]1CCOC ZINC000159809739 669942475 /nfs/dbraw/zinc/94/24/75/669942475.db2.gz SLLWEOCSCHKMBR-ZDUSSCGKSA-N 1 0 301.456 0.994 10 0 DCAERO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nnnn1C1CC1 ZINC000188846778 670054013 /nfs/dbraw/zinc/05/40/13/670054013.db2.gz NPCPCAOHWDPQJD-ZYHUDNBSSA-N 1 0 323.401 0.041 10 0 DCAERO Cn1cc(C[NH2+]CCN2CCOCC2)c(Br)n1 ZINC000712491935 670149726 /nfs/dbraw/zinc/14/97/26/670149726.db2.gz SJFJGXGDRPHMBZ-UHFFFAOYSA-N 1 0 303.204 0.604 10 0 DCAERO CS(=O)(=O)C1CC([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000715186675 670205937 /nfs/dbraw/zinc/20/59/37/670205937.db2.gz JKIKALLLCMVOIE-QTAHKJALSA-N 1 0 309.453 0.507 10 0 DCAERO CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715469465 670210621 /nfs/dbraw/zinc/21/06/21/670210621.db2.gz GDKVCPWNYHOKCY-UONOGXRCSA-N 1 0 302.440 0.958 10 0 DCAERO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193388109 670276211 /nfs/dbraw/zinc/27/62/11/670276211.db2.gz LEAZEVLQQJJFPD-UHFFFAOYSA-N 1 0 304.803 0.580 10 0 DCAERO O[C@]1(Cc2nc(C3CC3)no2)CCC[N@H+](CCn2cncn2)C1 ZINC000818252723 670997092 /nfs/dbraw/zinc/99/70/92/670997092.db2.gz BSSOYEXZIZTTOL-HNNXBMFYSA-N 1 0 318.381 0.608 10 0 DCAERO Cc1nc(C)c(C)c(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1 ZINC000858757366 671038379 /nfs/dbraw/zinc/03/83/79/671038379.db2.gz OFCTVQVEFPIVFS-KGLIPLIRSA-N 1 0 301.398 0.985 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000389346831 685256982 /nfs/dbraw/zinc/25/69/82/685256982.db2.gz YBBQDELVTBSZHP-NSHDSACASA-N 1 0 309.457 0.567 10 0 DCAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000718348698 685304365 /nfs/dbraw/zinc/30/43/65/685304365.db2.gz 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CCN1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000233489424 261153934 /nfs/dbraw/zinc/15/39/34/261153934.db2.gz DXTMGYUYVBKKMA-NWDGAFQWSA-N 1 0 304.412 0.295 10 0 DCAERO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000288217107 220023879 /nfs/dbraw/zinc/02/38/79/220023879.db2.gz NDIZJFMFYKKFRH-YUELXQCFSA-N 1 0 301.390 0.902 10 0 DCAERO COC(=O)c1ccccc1N1C(=O)C[C@H](SCC[NH3+])C1=O ZINC000016900496 182063085 /nfs/dbraw/zinc/06/30/85/182063085.db2.gz XQUWTIDGSGGXOW-NSHDSACASA-N 1 0 308.359 0.797 10 0 DCAERO CCCS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000019677303 182136204 /nfs/dbraw/zinc/13/62/04/182136204.db2.gz YWHOXWRFBYCJAI-NEPJUHHUSA-N 1 0 305.444 0.244 10 0 DCAERO [NH3+]C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000573445481 291632666 /nfs/dbraw/zinc/63/26/66/291632666.db2.gz YAUPJBWFFPXOJY-JTQLQIEISA-N 1 0 317.436 0.366 10 0 DCAERO CC1CCC(OC[C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000037982365 182952415 /nfs/dbraw/zinc/95/24/15/182952415.db2.gz 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O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCCCC2)nc1 ZINC000262076878 396095923 /nfs/dbraw/zinc/09/59/23/396095923.db2.gz CDMSMVZJUKBDAL-CABCVRRESA-N 1 0 318.421 0.772 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000170874781 396099945 /nfs/dbraw/zinc/09/99/45/396099945.db2.gz GYLXFUVWUKXZJS-LLVKDONJSA-N 1 0 312.395 0.502 10 0 DCAERO COC(=O)Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000070302965 396100524 /nfs/dbraw/zinc/10/05/24/396100524.db2.gz KVCIQIRKGZADDM-UHFFFAOYSA-N 1 0 314.407 0.632 10 0 DCAERO C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000262123783 396101422 /nfs/dbraw/zinc/10/14/22/396101422.db2.gz XMNKZQCCXQAECF-XJKSGUPXSA-N 1 0 315.425 0.634 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070577527 396102568 /nfs/dbraw/zinc/10/25/68/396102568.db2.gz NKKRHLHRNUIBPE-NWDGAFQWSA-N 1 0 317.455 0.434 10 0 DCAERO O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262135414 396102524 /nfs/dbraw/zinc/10/25/24/396102524.db2.gz 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CC[NH+]1CCN(c2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000175052130 396139631 /nfs/dbraw/zinc/13/96/31/396139631.db2.gz IYHUAHPXXBUIBE-UHFFFAOYSA-N 1 0 316.405 0.401 10 0 DCAERO NC(=O)Nc1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261908974 396078282 /nfs/dbraw/zinc/07/82/82/396078282.db2.gz XITDSCFTFSEUOW-CYBMUJFWSA-N 1 0 306.366 0.547 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCN2CCOCC2)[C@@H](C)C1 ZINC000162262939 396079920 /nfs/dbraw/zinc/07/99/20/396079920.db2.gz AKVQMRMGEGONIM-GJZGRUSLSA-N 1 0 312.458 0.737 10 0 DCAERO CCOc1ccc(NC(=O)CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261933135 396080927 /nfs/dbraw/zinc/08/09/27/396080927.db2.gz WMCMJRVMYLSWEF-UHFFFAOYSA-N 1 0 321.377 0.648 10 0 DCAERO CCOc1ccnc(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261960290 396084052 /nfs/dbraw/zinc/08/40/52/396084052.db2.gz HFPJGKNCKHOYHM-INIZCTEOSA-N 1 0 305.426 0.997 10 0 DCAERO COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263184191 396205061 /nfs/dbraw/zinc/20/50/61/396205061.db2.gz HCUUHOYJTPNYMR-GFCCVEGCSA-N 1 0 319.396 0.989 10 0 DCAERO Cc1sc(=O)n(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)c1C ZINC000263179848 396205475 /nfs/dbraw/zinc/20/54/75/396205475.db2.gz GPPSXFMPROOSTN-JTQLQIEISA-N 1 0 309.395 0.534 10 0 DCAERO CCc1n[nH]c(=O)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1CC ZINC000263222101 396206768 /nfs/dbraw/zinc/20/67/68/396206768.db2.gz MAGLGUJIDHUVNV-NSHDSACASA-N 1 0 318.381 0.521 10 0 DCAERO O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263219897 396206778 /nfs/dbraw/zinc/20/67/78/396206778.db2.gz LREYDRCXYQZFAK-OLZOCXBDSA-N 1 0 317.380 0.554 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3cccn3)n2)n1 ZINC000263240590 396208675 /nfs/dbraw/zinc/20/86/75/396208675.db2.gz OMUFNALNZKYFPD-GFCCVEGCSA-N 1 0 311.349 0.893 10 0 DCAERO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCNC(=O)CC1 ZINC000176014750 396147980 /nfs/dbraw/zinc/14/79/80/396147980.db2.gz CKNQFNHNVGVMQZ-UHFFFAOYSA-N 1 0 308.426 0.925 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000262536372 396152557 /nfs/dbraw/zinc/15/25/57/396152557.db2.gz QKPJAKUNDJRNNJ-GXTWGEPZSA-N 1 0 323.418 0.419 10 0 DCAERO COC(=O)C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(OC)cc1OC ZINC000262594718 396159701 /nfs/dbraw/zinc/15/97/01/396159701.db2.gz WDRBBJDIRVHFLC-JOYOIKCWSA-N 1 0 310.350 0.771 10 0 DCAERO O[C@H](C[NH2+][C@@H]1CCN(C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000176831001 396161711 /nfs/dbraw/zinc/16/17/11/396161711.db2.gz NDNRQEBBFQEACT-TZMCWYRMSA-N 1 0 320.389 0.981 10 0 DCAERO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262622712 396163677 /nfs/dbraw/zinc/16/36/77/396163677.db2.gz ZTCKOSWUZZQQRE-NEPJUHHUSA-N 1 0 307.398 0.560 10 0 DCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000262625973 396164447 /nfs/dbraw/zinc/16/44/47/396164447.db2.gz LBWMSCAMSPOZFF-QMTHXVAHSA-N 1 0 320.393 0.604 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000262663536 396169766 /nfs/dbraw/zinc/16/97/66/396169766.db2.gz HSZWNWKGPMWEFF-OUCADQQQSA-N 1 0 310.442 0.171 10 0 DCAERO Cc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177247250 396170119 /nfs/dbraw/zinc/17/01/19/396170119.db2.gz BYIYLAOBCXMEKP-TZMCWYRMSA-N 1 0 322.409 0.964 10 0 DCAERO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)C1C[NH2+]C1 ZINC000263274162 396211160 /nfs/dbraw/zinc/21/11/60/396211160.db2.gz IQZAVMCJDWHJBQ-OAHLLOKOSA-N 1 0 301.390 0.556 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262764732 396180218 /nfs/dbraw/zinc/18/02/18/396180218.db2.gz SUTDNFRBVPGIFE-NEPJUHHUSA-N 1 0 309.391 0.301 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262809609 396183698 /nfs/dbraw/zinc/18/36/98/396183698.db2.gz XXDJPFIERVJJNR-NWDGAFQWSA-N 1 0 300.428 0.815 10 0 DCAERO CCCC(=O)NCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000262827883 396185370 /nfs/dbraw/zinc/18/53/70/396185370.db2.gz UMQBKKZSDDEJFK-UHFFFAOYSA-N 1 0 316.365 0.785 10 0 DCAERO C[C@H](O)CC[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000075777603 396187370 /nfs/dbraw/zinc/18/73/70/396187370.db2.gz AYEGFNDGCFLVPS-AWEZNQCLSA-N 1 0 305.422 0.868 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC[NH2+]1 ZINC000262875881 396189360 /nfs/dbraw/zinc/18/93/60/396189360.db2.gz MVCTZGPDBZJQLA-MNOVXSKESA-N 1 0 316.361 0.359 10 0 DCAERO O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000263288687 396212128 /nfs/dbraw/zinc/21/21/28/396212128.db2.gz LBZXXOCCWAPDAG-LLVKDONJSA-N 1 0 318.295 0.781 10 0 DCAERO Cn1cc(C[N@@H+]2CCCN(C[C@H](O)C(F)(F)F)CC2)cn1 ZINC000181690887 396241385 /nfs/dbraw/zinc/24/13/85/396241385.db2.gz ANEIVTJCUQQQAX-LBPRGKRZSA-N 1 0 306.332 0.851 10 0 DCAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000078907009 396258091 /nfs/dbraw/zinc/25/80/91/396258091.db2.gz ZJSXZZSVFBVJLC-KBPBESRZSA-N 1 0 313.442 0.900 10 0 DCAERO OCC[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CCCCC1 ZINC000183716287 396273730 /nfs/dbraw/zinc/27/37/30/396273730.db2.gz LOJATQBEGSVRDO-JKSUJKDBSA-N 1 0 300.443 0.600 10 0 DCAERO OCC[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C1CCCCC1 ZINC000183716332 396273758 /nfs/dbraw/zinc/27/37/58/396273758.db2.gz LOJATQBEGSVRDO-HZPDHXFCSA-N 1 0 300.443 0.600 10 0 DCAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000263475404 396218206 /nfs/dbraw/zinc/21/82/06/396218206.db2.gz MKUFZJMERMXMKS-ROKHWSDSSA-N 1 0 324.425 0.414 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000179416037 396226683 /nfs/dbraw/zinc/22/66/83/396226683.db2.gz VEVKIPMGXWEGSV-AWEZNQCLSA-N 1 0 313.442 0.454 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000185132060 396318715 /nfs/dbraw/zinc/31/87/15/396318715.db2.gz WSVZOGWOGLJBRR-ZIAGYGMSSA-N 1 0 318.439 0.149 10 0 DCAERO CC[C@@H](CNC(=O)c1cn(CC2(C)COC2)nn1)[NH+]1CCCC1 ZINC000184237862 396288632 /nfs/dbraw/zinc/28/86/32/396288632.db2.gz QPFMZFJRHURANC-ZDUSSCGKSA-N 1 0 321.425 0.919 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859366 396308834 /nfs/dbraw/zinc/30/88/34/396308834.db2.gz SNJOHCAQXBGBSP-HOCLYGCPSA-N 1 0 324.469 0.569 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000284776129 396346353 /nfs/dbraw/zinc/34/63/53/396346353.db2.gz HQHRMCQBVMPFMK-MRXNPFEDSA-N 1 0 300.362 0.685 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000186275880 396346802 /nfs/dbraw/zinc/34/68/02/396346802.db2.gz MGTODZMHWKEMOE-GFCCVEGCSA-N 1 0 319.471 0.695 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000186678614 396355461 /nfs/dbraw/zinc/35/54/61/396355461.db2.gz JNIGJUHUNOSDRO-CBAPKCEASA-N 1 0 303.409 0.123 10 0 DCAERO CN(CC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000186791351 396358617 /nfs/dbraw/zinc/35/86/17/396358617.db2.gz GCSDBPGFQJRWSG-ZDUSSCGKSA-N 1 0 303.472 0.684 10 0 DCAERO CC1(CO)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000186960021 396361110 /nfs/dbraw/zinc/36/11/10/396361110.db2.gz UBYDKLMKWONNGT-CYBMUJFWSA-N 1 0 304.456 0.752 10 0 DCAERO C[N@H+](CCNC(=O)N1CC(NC(=O)C2CC2)C1)C1CCCC1 ZINC000187031627 396362356 /nfs/dbraw/zinc/36/23/56/396362356.db2.gz DDBDAMNFWRQNRG-UHFFFAOYSA-N 1 0 308.426 0.781 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187076762 396363151 /nfs/dbraw/zinc/36/31/51/396363151.db2.gz HJZYNTDIFWWTAV-CQSZACIVSA-N 1 0 308.426 0.781 10 0 DCAERO O=C(NC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1)C1CCCCC1 ZINC000187555866 396370874 /nfs/dbraw/zinc/37/08/74/396370874.db2.gz STWLHUPTUJRZQP-OAHLLOKOSA-N 1 0 323.437 0.662 10 0 DCAERO C[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1CCO ZINC000187656485 396372258 /nfs/dbraw/zinc/37/22/58/396372258.db2.gz SQDBQWCRMDMMRH-AWEZNQCLSA-N 1 0 301.394 0.766 10 0 DCAERO Cc1cc(C)c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(=O)[nH]1 ZINC000285390416 396349813 /nfs/dbraw/zinc/34/98/13/396349813.db2.gz XDCAMGZHCXGIEK-CHWSQXEVSA-N 1 0 305.378 0.949 10 0 DCAERO COc1ccc(F)c(C(=O)NC[C@H]2CN(C)CCO2)c1OC ZINC000188341551 396381795 /nfs/dbraw/zinc/38/17/95/396381795.db2.gz VTSIRGXUFRGJHA-JTQLQIEISA-N 1 0 312.341 0.903 10 0 DCAERO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[NH+]3CCC1CC3)CS2 ZINC000188644812 396384182 /nfs/dbraw/zinc/38/41/82/396384182.db2.gz GHHNVSUSODIUSI-WFASDCNBSA-N 1 0 309.435 0.747 10 0 DCAERO C[C@@H]1CN(C(=O)CSCc2cscn2)CCN1CCO ZINC000188743276 396384863 /nfs/dbraw/zinc/38/48/63/396384863.db2.gz NZAVODCVZLTALH-LLVKDONJSA-N 1 0 315.464 0.901 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000193081912 396443548 /nfs/dbraw/zinc/44/35/48/396443548.db2.gz LSUOVSZWXQDCBA-LBPRGKRZSA-N 1 0 323.466 0.941 10 0 DCAERO COc1ccc(CN(C)C(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189340840 396394178 /nfs/dbraw/zinc/39/41/78/396394178.db2.gz QQLUDTVHVWMMHP-CYBMUJFWSA-N 1 0 319.405 0.864 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000189742008 396398502 /nfs/dbraw/zinc/39/85/02/396398502.db2.gz QEPMSGWHRYGWNL-QWHCGFSZSA-N 1 0 320.480 0.618 10 0 DCAERO CCN1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000190539259 396407505 /nfs/dbraw/zinc/40/75/05/396407505.db2.gz HSMVUQHYPARSJC-UHFFFAOYSA-N 1 0 317.393 0.095 10 0 DCAERO CN1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1=O ZINC000191131524 396416037 /nfs/dbraw/zinc/41/60/37/396416037.db2.gz YQRCUVZLOHDYPU-UHFFFAOYSA-N 1 0 308.357 0.901 10 0 DCAERO Nc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000191402973 396418708 /nfs/dbraw/zinc/41/87/08/396418708.db2.gz PLFHHBLQHCQZGP-AWEZNQCLSA-N 1 0 304.394 0.735 10 0 DCAERO Nc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000191402991 396418765 /nfs/dbraw/zinc/41/87/65/396418765.db2.gz PLFHHBLQHCQZGP-CQSZACIVSA-N 1 0 304.394 0.735 10 0 DCAERO CN(C)c1noc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000192715866 396435632 /nfs/dbraw/zinc/43/56/32/396435632.db2.gz NCYCDZNFPOLZML-AWEZNQCLSA-N 1 0 322.457 0.738 10 0 DCAERO COCC(=O)NC1CN(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000188183276 396379590 /nfs/dbraw/zinc/37/95/90/396379590.db2.gz CXKSIROPLUJWGE-UHFFFAOYSA-N 1 0 312.414 0.016 10 0 DCAERO Cc1onc(N)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290649492 396468504 /nfs/dbraw/zinc/46/85/04/396468504.db2.gz DVUJPELZUBYEGN-SCZZXKLOSA-N 1 0 302.400 0.668 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]n1 ZINC000372051659 396485430 /nfs/dbraw/zinc/48/54/30/396485430.db2.gz PJJFNLIEMWNLRA-TUKIKUTGSA-N 1 0 321.425 0.812 10 0 DCAERO COC(=O)c1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000527343640 396534740 /nfs/dbraw/zinc/53/47/40/396534740.db2.gz QZENIEUGLRPOBN-UHFFFAOYSA-N 1 0 321.377 0.822 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCN(C(=O)N(C)C)CC2)CC1 ZINC000581223965 396535520 /nfs/dbraw/zinc/53/55/20/396535520.db2.gz QIOJVSJRARJXOP-UHFFFAOYSA-N 1 0 323.441 0.647 10 0 DCAERO CS[C@@H]1CN(C(=O)C[C@H]2CCCCNC2=O)C[C@@H]1[NH+](C)C ZINC000374217958 396648259 /nfs/dbraw/zinc/64/82/59/396648259.db2.gz QLLJDCMCMKPKLU-FRRDWIJNSA-N 1 0 313.467 0.797 10 0 DCAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000585733834 396651399 /nfs/dbraw/zinc/65/13/99/396651399.db2.gz IOFWGQBYZPUJON-ZDUSSCGKSA-N 1 0 317.455 0.403 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000531342457 396593906 /nfs/dbraw/zinc/59/39/06/396593906.db2.gz WMTWSCVRRUJQFI-KRWDZBQOSA-N 1 0 323.437 0.570 10 0 DCAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000296115453 396705752 /nfs/dbraw/zinc/70/57/52/396705752.db2.gz IKIUZEVGJZOHLR-LALPHHSUSA-N 1 0 318.373 0.489 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC000328627824 396826988 /nfs/dbraw/zinc/82/69/88/396826988.db2.gz GPABGMQVNNEWBR-RRFJBIMHSA-N 1 0 324.425 0.814 10 0 DCAERO CNS(=O)(=O)CCC[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328646105 396829069 /nfs/dbraw/zinc/82/90/69/396829069.db2.gz SJBREJGVTMWFKO-LBPRGKRZSA-N 1 0 300.428 0.317 10 0 DCAERO CN1CCN(C(=O)C[N@H+](C)C[C@H]2CCc3nccn3C2)CC1 ZINC000328640901 396829373 /nfs/dbraw/zinc/82/93/73/396829373.db2.gz QIDQCOSLZNDZEN-CQSZACIVSA-N 1 0 305.426 0.151 10 0 DCAERO CC[NH+]1CCC(CNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000564688552 396856842 /nfs/dbraw/zinc/85/68/42/396856842.db2.gz JQWHWWDOLNOHER-OAHLLOKOSA-N 1 0 310.442 0.444 10 0 DCAERO Cc1cnc(C)c(N2CCO[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000375987684 396857530 /nfs/dbraw/zinc/85/75/30/396857530.db2.gz VRVCUXLONSITFC-OAHLLOKOSA-N 1 0 305.426 0.546 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601345266 397069815 /nfs/dbraw/zinc/06/98/15/397069815.db2.gz AJSSZXFQOKTINO-IUCAKERBSA-N 1 0 318.420 0.750 10 0 DCAERO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)C[C@@H]1C[NH3+] ZINC000630553147 397044080 /nfs/dbraw/zinc/04/40/80/397044080.db2.gz IKBKIUGERGRMFS-SFYZADRCSA-N 1 0 301.188 0.574 10 0 DCAERO Brc1cnc(-n2cc(C[C@@H]3CC[NH2+]C3)nn2)nc1 ZINC000630593423 397056300 /nfs/dbraw/zinc/05/63/00/397056300.db2.gz MADAVKHGYOCZAP-QMMMGPOBSA-N 1 0 309.171 0.972 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 ZINC000626049343 397060461 /nfs/dbraw/zinc/06/04/61/397060461.db2.gz KRRLUPKGODDPAN-MJBXVCDLSA-N 1 0 319.471 0.157 10 0 DCAERO CCOC(=O)C[C@@](C)([NH2+]C[C@@H](O)CN1CCOCC1)C(C)C ZINC000186691841 285783124 /nfs/dbraw/zinc/78/31/24/285783124.db2.gz VVQVARQUZOFPOS-GDBMZVCRSA-N 1 0 316.442 0.637 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000386315288 397287678 /nfs/dbraw/zinc/28/76/78/397287678.db2.gz SWSFMMZOYQLPDD-AGIUHOORSA-N 1 0 300.399 0.393 10 0 DCAERO CC[NH+](CC)CCS(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000408216277 397350366 /nfs/dbraw/zinc/35/03/66/397350366.db2.gz VZOZVCWBSIBOEV-ZDUSSCGKSA-N 1 0 306.428 0.149 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N(C(C)=O)C1 ZINC000408274755 397352065 /nfs/dbraw/zinc/35/20/65/397352065.db2.gz NZPHOBUYOMNQNJ-ZQDZILKHSA-N 1 0 311.426 0.611 10 0 DCAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CO)C1 ZINC000408378891 397355045 /nfs/dbraw/zinc/35/50/45/397355045.db2.gz HOCLSGBMHXCNTN-LXTVHRRPSA-N 1 0 313.442 0.756 10 0 DCAERO CC(=O)N1CC[C@](C)(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000614066722 397374020 /nfs/dbraw/zinc/37/40/20/397374020.db2.gz JGURYVMKCYUGQK-JKSUJKDBSA-N 1 0 311.426 0.160 10 0 DCAERO CC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)OC ZINC000602437846 397401110 /nfs/dbraw/zinc/40/11/10/397401110.db2.gz AGFYFXQYHBINNR-KGLIPLIRSA-N 1 0 307.394 0.514 10 0 DCAERO CCOC(=O)N[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CC(C)C ZINC000188388695 285827478 /nfs/dbraw/zinc/82/74/78/285827478.db2.gz YOPMUTYBOAGTSM-QJPTWQEYSA-N 1 0 303.378 0.963 10 0 DCAERO NC(=O)CC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000371390063 397578622 /nfs/dbraw/zinc/57/86/22/397578622.db2.gz VBKMGCRDEBJPMC-CQSZACIVSA-N 1 0 309.410 0.211 10 0 DCAERO Cc1cc(C)n(CC(=O)NCCCN2CCC[N@@H+](C)CC2)n1 ZINC000603811961 397621695 /nfs/dbraw/zinc/62/16/95/397621695.db2.gz APSKMHWPQCTLJC-UHFFFAOYSA-N 1 0 307.442 0.644 10 0 DCAERO Cc1noc(CN2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)n1 ZINC000606686969 397685604 /nfs/dbraw/zinc/68/56/04/397685604.db2.gz HYIJZDPQWVUXJG-UHFFFAOYSA-N 1 0 322.413 0.299 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000077793219 158069896 /nfs/dbraw/zinc/06/98/96/158069896.db2.gz OCIXIQUATQUTTN-UONOGXRCSA-N 1 0 300.447 0.737 10 0 DCAERO CN1C[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)CCC1=O ZINC000083232316 158087196 /nfs/dbraw/zinc/08/71/96/158087196.db2.gz WSTKMKKYEVRECB-CYBMUJFWSA-N 1 0 324.425 0.113 10 0 DCAERO O=C(NC1CCC(O)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083019856 158087939 /nfs/dbraw/zinc/08/79/39/158087939.db2.gz QWFJULMHWDHEBU-UHFFFAOYSA-N 1 0 311.426 0.796 10 0 DCAERO Cn1ccnc1C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000090003398 158100337 /nfs/dbraw/zinc/10/03/37/158100337.db2.gz RLYSIPYVLPKMRJ-OAHLLOKOSA-N 1 0 320.437 0.924 10 0 DCAERO NC(=O)c1cccc(CNC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090952169 158106281 /nfs/dbraw/zinc/10/62/81/158106281.db2.gz MQZMLNWNHCBQGL-UHFFFAOYSA-N 1 0 304.375 0.673 10 0 DCAERO C[NH+](C)CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1CCCC1 ZINC000097040571 158124686 /nfs/dbraw/zinc/12/46/86/158124686.db2.gz STSMVRQKOYNJPA-UHFFFAOYSA-N 1 0 324.425 0.650 10 0 DCAERO CN1CCO[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116429755 158165358 /nfs/dbraw/zinc/16/53/58/158165358.db2.gz FEGRBZXSWHTULO-KGLIPLIRSA-N 1 0 314.474 0.983 10 0 DCAERO C[C@@H](C(=O)NC1CCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889256 158167708 /nfs/dbraw/zinc/16/77/08/158167708.db2.gz JHUJBAWSBUCSEY-JQWIXIFHSA-N 1 0 303.428 0.057 10 0 DCAERO CCOCC[N@@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@H]1CC ZINC000117026533 158169804 /nfs/dbraw/zinc/16/98/04/158169804.db2.gz WQAUYHWXYNAKRN-CYBMUJFWSA-N 1 0 314.430 0.217 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1 ZINC000118124425 158175557 /nfs/dbraw/zinc/17/55/57/158175557.db2.gz OTZKRCPPXREGOI-CYBMUJFWSA-N 1 0 306.366 0.247 10 0 DCAERO C[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCC(C)CC1 ZINC000118780969 158179093 /nfs/dbraw/zinc/17/90/93/158179093.db2.gz QMWYMFFRMMYVOJ-LBPRGKRZSA-N 1 0 324.425 0.553 10 0 DCAERO C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(C)(C)C[NH+](C)C ZINC000119443866 158187785 /nfs/dbraw/zinc/18/77/85/158187785.db2.gz ZORWKUHEUQGPPU-QWHCGFSZSA-N 1 0 300.447 0.593 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000122795175 158224221 /nfs/dbraw/zinc/22/42/21/158224221.db2.gz JJUPSQICDQHSMC-MCIONIFRSA-N 1 0 311.426 0.422 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C1 ZINC000123150384 158226830 /nfs/dbraw/zinc/22/68/30/158226830.db2.gz RQCYAXWMOHTKAN-AGIUHOORSA-N 1 0 312.414 0.003 10 0 DCAERO C[C@H]1C[C@H](N(C)CC(=O)NCCCN2CCCC2=O)CC[N@@H+]1C ZINC000123696593 158233091 /nfs/dbraw/zinc/23/30/91/158233091.db2.gz IYVLZTUWAXLFMM-LSDHHAIUSA-N 1 0 324.469 0.530 10 0 DCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123847490 158234217 /nfs/dbraw/zinc/23/42/17/158234217.db2.gz KCEJDGAVJFMRFN-ZDUSSCGKSA-N 1 0 321.425 0.910 10 0 DCAERO C[C@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000127308263 158273010 /nfs/dbraw/zinc/27/30/10/158273010.db2.gz URTBPNBUKZVNPX-BZUAXINKSA-N 1 0 309.454 0.945 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000127348948 158273205 /nfs/dbraw/zinc/27/32/05/158273205.db2.gz BWXXRKXJDYMZMT-GFCCVEGCSA-N 1 0 322.409 0.261 10 0 DCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000130390293 158294500 /nfs/dbraw/zinc/29/45/00/158294500.db2.gz RRNRHOAADVCZLU-CHWSQXEVSA-N 1 0 310.442 0.884 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000132678926 158313156 /nfs/dbraw/zinc/31/31/56/158313156.db2.gz CFXKVDSOLMXKQY-LBPRGKRZSA-N 1 0 301.416 0.244 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000132863879 158313860 /nfs/dbraw/zinc/31/38/60/158313860.db2.gz VYOXLNHXQSMOBU-UONOGXRCSA-N 1 0 319.453 0.972 10 0 DCAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000132917564 158315204 /nfs/dbraw/zinc/31/52/04/158315204.db2.gz FZNZIHUNMLNGPX-GFCCVEGCSA-N 1 0 300.428 0.539 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000133254906 158316872 /nfs/dbraw/zinc/31/68/72/158316872.db2.gz GJKOSGBTGPLVFA-UHFFFAOYSA-N 1 0 304.368 0.699 10 0 DCAERO CCN1CCC[C@@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)C1 ZINC000134819586 158331306 /nfs/dbraw/zinc/33/13/06/158331306.db2.gz OEXCXNWFCJZWEI-NWDGAFQWSA-N 1 0 305.444 0.593 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)CC ZINC000136939652 158344376 /nfs/dbraw/zinc/34/43/76/158344376.db2.gz WSOBOAZMQJFKHG-VXGBXAGGSA-N 1 0 303.428 0.011 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165649470 158365138 /nfs/dbraw/zinc/36/51/38/158365138.db2.gz NJZAWVIITVSOET-JTQLQIEISA-N 1 0 304.799 0.997 10 0 DCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000170643947 158374719 /nfs/dbraw/zinc/37/47/19/158374719.db2.gz KUGCKMPBUQHHQU-NEPJUHHUSA-N 1 0 304.346 0.100 10 0 DCAERO O=C(NCCCN1CCOC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171686149 158385703 /nfs/dbraw/zinc/38/57/03/158385703.db2.gz AWADXTJURUFDFI-ZDUSSCGKSA-N 1 0 310.398 0.708 10 0 DCAERO CC[NH+](CC)CCSCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000174815807 158420678 /nfs/dbraw/zinc/42/06/78/158420678.db2.gz YRDXWIFXHUNMMA-LBPRGKRZSA-N 1 0 311.455 0.784 10 0 DCAERO C[C@H]([NH3+])CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000178626609 158460238 /nfs/dbraw/zinc/46/02/38/158460238.db2.gz HTZXWCPTVBDOPC-HNNXBMFYSA-N 1 0 304.438 0.658 10 0 DCAERO FC(F)(F)Cn1nnnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248819177 158697889 /nfs/dbraw/zinc/69/78/89/158697889.db2.gz INMFTVVXRDXPGB-SNVBAGLBSA-N 1 0 304.320 0.906 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)C(=O)CN1CSCC1=O ZINC000261834395 158744531 /nfs/dbraw/zinc/74/45/31/158744531.db2.gz ZIGYAPMRCVNUTP-UHFFFAOYSA-N 1 0 307.419 0.549 10 0 DCAERO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000261878168 158748797 /nfs/dbraw/zinc/74/87/97/158748797.db2.gz SZPKZIRADBJZGY-UHFFFAOYSA-N 1 0 314.389 0.932 10 0 DCAERO Cc1ccc(CCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261941160 158756844 /nfs/dbraw/zinc/75/68/44/158756844.db2.gz LHJKBGHOKYDOSD-UHFFFAOYSA-N 1 0 303.406 0.818 10 0 DCAERO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262322647 158797177 /nfs/dbraw/zinc/79/71/77/158797177.db2.gz RNMRFUMMHFQCDA-UONOGXRCSA-N 1 0 315.373 0.971 10 0 DCAERO CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262337561 158800427 /nfs/dbraw/zinc/80/04/27/158800427.db2.gz FUVYJHYNQFJJIU-RYUDHWBXSA-N 1 0 305.444 0.162 10 0 DCAERO COc1ccc(C(C)=O)cc1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262355175 158802713 /nfs/dbraw/zinc/80/27/13/158802713.db2.gz USYQFBBKMFSDLU-UONOGXRCSA-N 1 0 306.362 0.137 10 0 DCAERO Cc1nsc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000262386118 158807472 /nfs/dbraw/zinc/80/74/72/158807472.db2.gz OSRIHEXLXDSKFI-JQWIXIFHSA-N 1 0 309.439 0.883 10 0 DCAERO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262390931 158807922 /nfs/dbraw/zinc/80/79/22/158807922.db2.gz XXCXMURZPDTOGL-OLZOCXBDSA-N 1 0 301.346 0.960 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262391129 158808239 /nfs/dbraw/zinc/80/82/39/158808239.db2.gz XYCUZECVVOCBES-FZKCQIBNSA-N 1 0 304.390 0.851 10 0 DCAERO Cc1c(C(=O)NC[C@@H]2CCCC[C@H]2O)nnn1C1CC[NH2+]CC1 ZINC000262620123 158830180 /nfs/dbraw/zinc/83/01/80/158830180.db2.gz FXXBMNWVXFWBQS-GXTWGEPZSA-N 1 0 321.425 0.792 10 0 DCAERO O=C(CCNC(=O)C1C[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000263271379 158867183 /nfs/dbraw/zinc/86/71/83/158867183.db2.gz ICIUPCDRLJWWHX-UHFFFAOYSA-N 1 0 316.405 0.061 10 0 DCAERO CN1CCO[C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C[C@@H]21 ZINC000328812871 159031703 /nfs/dbraw/zinc/03/17/03/159031703.db2.gz BOGZCUGRARYSBR-MELADBBJSA-N 1 0 318.439 0.290 10 0 DCAERO Cc1cnn(CC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000328871356 159035968 /nfs/dbraw/zinc/03/59/68/159035968.db2.gz DLBLPYPFJGIUQE-AWEZNQCLSA-N 1 0 312.439 0.691 10 0 DCAERO Cn1nncc1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000328946164 159045127 /nfs/dbraw/zinc/04/51/27/159045127.db2.gz JXGVRBIKGXBZDF-SWLSCSKDSA-N 1 0 303.414 0.721 10 0 DCAERO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329161445 159068875 /nfs/dbraw/zinc/06/88/75/159068875.db2.gz YYRKDPNHOSZTAH-NSHDSACASA-N 1 0 314.345 0.961 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000329211129 159073218 /nfs/dbraw/zinc/07/32/18/159073218.db2.gz ZCTMQWNLKPIBBR-YUTCNCBUSA-N 1 0 320.393 0.459 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)O1 ZINC000329229539 159075048 /nfs/dbraw/zinc/07/50/48/159075048.db2.gz CSCKDDUHYBRKTQ-KGLIPLIRSA-N 1 0 311.426 0.422 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CCO1 ZINC000329262385 159077480 /nfs/dbraw/zinc/07/74/80/159077480.db2.gz ZKOQWVLTTINHJV-OCCSQVGLSA-N 1 0 309.410 0.319 10 0 DCAERO C[C@@H](Sc1nncn1C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000329422424 159091765 /nfs/dbraw/zinc/09/17/65/159091765.db2.gz FQQFSQVUCBVRGU-ZYHUDNBSSA-N 1 0 309.439 0.848 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)nn1 ZINC000329557991 159102053 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O=C(CN1CC(=O)NC1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177410130 416144649 /nfs/dbraw/zinc/14/46/49/416144649.db2.gz DQLKOYWVMLJJMF-UHFFFAOYSA-N 1 0 308.382 0.061 10 0 DCAERO CN(C)C(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000174623325 416081339 /nfs/dbraw/zinc/08/13/39/416081339.db2.gz LESRQLNOXGUGLX-UHFFFAOYSA-N 1 0 313.467 0.943 10 0 DCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000178613065 416166904 /nfs/dbraw/zinc/16/69/04/416166904.db2.gz UWDNKSIGONCJBI-UKRRQHHQSA-N 1 0 303.406 0.931 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178689893 416169485 /nfs/dbraw/zinc/16/94/85/416169485.db2.gz IVLYDBFFFAZJBZ-PNESKVBLSA-N 1 0 319.471 0.839 10 0 DCAERO COc1ccnc(N2CCC(C(=O)N(C)[C@H]3CC[NH2+]C3)CC2)n1 ZINC000179068768 416180348 /nfs/dbraw/zinc/18/03/48/416180348.db2.gz JPBMFTDDWQCLSJ-ZDUSSCGKSA-N 1 0 319.409 0.522 10 0 DCAERO C[NH2+]C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000179142902 416182515 /nfs/dbraw/zinc/18/25/15/416182515.db2.gz OLXUUVMMIDTJEN-BETUJISGSA-N 1 0 307.394 0.372 10 0 DCAERO COC(=O)[C@H](O)C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182970114 416233873 /nfs/dbraw/zinc/23/38/73/416233873.db2.gz WPLWGYJFNZQHTK-XHSDSOJGSA-N 1 0 305.374 0.891 10 0 DCAERO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358205063 416211847 /nfs/dbraw/zinc/21/18/47/416211847.db2.gz VDXGHDYZXXPWOM-LBPRGKRZSA-N 1 0 304.437 0.710 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)NCC(=O)NCC2CC2)CC1 ZINC000182047910 416214229 /nfs/dbraw/zinc/21/42/29/416214229.db2.gz FXFUPCPTPQYUIO-UHFFFAOYSA-N 1 0 310.442 0.934 10 0 DCAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC(=O)NC1=O ZINC000182535092 416223955 /nfs/dbraw/zinc/22/39/55/416223955.db2.gz VNTYANQBTZOSNK-GFCCVEGCSA-N 1 0 318.377 0.175 10 0 DCAERO C[NH+](C)CCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182505917 416224105 /nfs/dbraw/zinc/22/41/05/416224105.db2.gz QLVRRGDDTMKUPZ-ZDUSSCGKSA-N 1 0 305.382 0.438 10 0 DCAERO C[N@H+](CC1(O)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000178554376 416165710 /nfs/dbraw/zinc/16/57/10/416165710.db2.gz DIKWBBUSKPDABT-JTQLQIEISA-N 1 0 310.316 0.623 10 0 DCAERO CC[NH+]1CCN(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183626910 416246378 /nfs/dbraw/zinc/24/63/78/416246378.db2.gz ZITDFTJXVDALQL-UHFFFAOYSA-N 1 0 305.426 0.515 10 0 DCAERO CCCNC(=O)CCCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000358816897 416278056 /nfs/dbraw/zinc/27/80/56/416278056.db2.gz PHPYPFMLGWOYMT-UHFFFAOYSA-N 1 0 312.458 0.389 10 0 DCAERO O=C(Cn1ccnn1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186567784 416258818 /nfs/dbraw/zinc/25/88/18/416258818.db2.gz XHYYWJHMEAZDHU-HNNXBMFYSA-N 1 0 314.393 0.844 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000358674963 416266962 /nfs/dbraw/zinc/26/69/62/416266962.db2.gz JWIGPXSMINEZPU-OAHLLOKOSA-N 1 0 308.426 0.364 10 0 DCAERO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](C)CS(C)(=O)=O)C1(C)C ZINC000189965907 416273083 /nfs/dbraw/zinc/27/30/83/416273083.db2.gz DRHXEBSFCLXHTE-YRGRVCCFSA-N 1 0 307.456 0.823 10 0 DCAERO C[NH2+]CC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000193136487 416313286 /nfs/dbraw/zinc/31/32/86/416313286.db2.gz BAQFIJZOGHKZKU-SNVBAGLBSA-N 1 0 302.783 0.846 10 0 DCAERO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000192010567 416294991 /nfs/dbraw/zinc/29/49/91/416294991.db2.gz WZKSJDNXDLSHKF-YPMHNXCESA-N 1 0 319.409 0.955 10 0 DCAERO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000192077345 416299001 /nfs/dbraw/zinc/29/90/01/416299001.db2.gz JFMGWHCPFYXQRY-GFCCVEGCSA-N 1 0 319.409 0.957 10 0 DCAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CN1CCOCC1 ZINC000247434834 416332917 /nfs/dbraw/zinc/33/29/17/416332917.db2.gz WXCXXSODAJWLOJ-GJZGRUSLSA-N 1 0 310.442 0.444 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337354 416326343 /nfs/dbraw/zinc/32/63/43/416326343.db2.gz ZZKGGMWYCSCHOP-CHWSQXEVSA-N 1 0 315.439 0.107 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245576903 416331348 /nfs/dbraw/zinc/33/13/48/416331348.db2.gz BESNPNGTYZMLCR-LOWVWBTDSA-N 1 0 322.409 0.306 10 0 DCAERO CN1CC[C@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)C1=O ZINC000583624119 416479999 /nfs/dbraw/zinc/47/99/99/416479999.db2.gz UGHLHJVQIZOXRH-IHRRRGAJSA-N 1 0 321.400 0.552 10 0 DCAERO [NH3+][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CN2CSCC2=O)C1 ZINC000583619789 416480297 /nfs/dbraw/zinc/48/02/97/416480297.db2.gz HCCZSGFTNDYQBM-SFYZADRCSA-N 1 0 311.329 0.400 10 0 DCAERO COC(=O)c1cc(C(C)(C)NC(=O)NC[C@H](C)[NH+](C)C)no1 ZINC000459068050 416522959 /nfs/dbraw/zinc/52/29/59/416522959.db2.gz WHPULPXEMXBZQI-VIFPVBQESA-N 1 0 312.370 0.946 10 0 DCAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000459280121 416530453 /nfs/dbraw/zinc/53/04/53/416530453.db2.gz BYOYGAJWPDSCKK-LSDHHAIUSA-N 1 0 310.442 0.444 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000436288753 416554621 /nfs/dbraw/zinc/55/46/21/416554621.db2.gz FXBOXXNYYHAHHA-CJNGLKHVSA-N 1 0 307.394 0.200 10 0 DCAERO CN(Cc1cnccn1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436491194 416560279 /nfs/dbraw/zinc/56/02/79/416560279.db2.gz VXHAGFOHXBEVNV-UHFFFAOYSA-N 1 0 303.370 0.899 10 0 DCAERO C[C@@H]1CN(CCN(C)C(=O)c2cn3cccnc3n2)C[C@H](C)O1 ZINC000584027905 416492695 /nfs/dbraw/zinc/49/26/95/416492695.db2.gz IKBSHXOKMSJQNW-BETUJISGSA-N 1 0 317.393 0.911 10 0 DCAERO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434962398 416506260 /nfs/dbraw/zinc/50/62/60/416506260.db2.gz LRTNDPIQGCDMPJ-UHFFFAOYSA-N 1 0 322.409 1.465 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)NCc1nnc(C2CC2)[nH]1 ZINC000458919157 416512247 /nfs/dbraw/zinc/51/22/47/416512247.db2.gz CRNIKDDZTVTHPY-UHFFFAOYSA-N 1 0 301.354 0.410 10 0 DCAERO C[S@](=O)C1(CNC(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000438607753 416600164 /nfs/dbraw/zinc/60/01/64/416600164.db2.gz FDZXVBOZUGBTKN-NRFANRHFSA-N 1 0 310.423 0.516 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NCCN2CCOC[C@H]2C)CC1 ZINC000545150848 416663166 /nfs/dbraw/zinc/66/31/66/416663166.db2.gz YUSSOEUOJMVTPC-OAHLLOKOSA-N 1 0 310.442 0.658 10 0 DCAERO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc(OC)n2)C1 ZINC000441470459 416673699 /nfs/dbraw/zinc/67/36/99/416673699.db2.gz YVIFPEBULMGOPU-CQSZACIVSA-N 1 0 322.409 0.653 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000369807154 416829406 /nfs/dbraw/zinc/82/94/06/416829406.db2.gz AKRUEBNPJZTNDM-CHWSQXEVSA-N 1 0 312.414 0.017 10 0 DCAERO C[NH+](C)Cc1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC000559995069 416829579 /nfs/dbraw/zinc/82/95/79/416829579.db2.gz NLYTUPRJPLJSGX-UHFFFAOYSA-N 1 0 305.378 0.223 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000631960062 416832863 /nfs/dbraw/zinc/83/28/63/416832863.db2.gz HQFWPQVSJVBXFP-XQQFMLRXSA-N 1 0 305.444 0.544 10 0 DCAERO COC[C@@H](C)S(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000631964881 416836069 /nfs/dbraw/zinc/83/60/69/416836069.db2.gz OCYFBCFXNSHHRH-OCCSQVGLSA-N 1 0 300.424 0.901 10 0 DCAERO CCOCC[C@H](O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000444670238 416856560 /nfs/dbraw/zinc/85/65/60/416856560.db2.gz AOKMSABKVVWXNG-ZDUSSCGKSA-N 1 0 302.415 0.343 10 0 DCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400096985 417110745 /nfs/dbraw/zinc/11/07/45/417110745.db2.gz FZGXPXYANGUZCV-IFWUJCSASA-N 1 0 302.440 0.691 10 0 DCAERO O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC2CCC1CC2 ZINC000400142824 417111378 /nfs/dbraw/zinc/11/13/78/417111378.db2.gz JAZFMRPPRTUSGT-NWINJMCUSA-N 1 0 302.440 0.721 10 0 DCAERO c1c([C@H]2CCC[NH2+]C2)nnn1Cc1nnnn1-c1ccccc1 ZINC000404995715 417120175 /nfs/dbraw/zinc/12/01/75/417120175.db2.gz KWYHOMPFRJPRRR-LBPRGKRZSA-N 1 0 310.365 0.769 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@]2(O)CCSC2)CC[N@@H+]1C[C@H](C)O ZINC000408045129 417135337 /nfs/dbraw/zinc/13/53/37/417135337.db2.gz YKKMTLVCCAUDDM-SCRDCRAPSA-N 1 0 302.440 0.158 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)NS(C)(=O)=O)CC[N@@H+]1C ZINC000408230975 417149483 /nfs/dbraw/zinc/14/94/83/417149483.db2.gz JUDLSHBJDOPNSX-WDEREUQCSA-N 1 0 305.444 0.255 10 0 DCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000408326746 417154478 /nfs/dbraw/zinc/15/44/78/417154478.db2.gz PFVFVKDQGRYKPJ-CJNGLKHVSA-N 1 0 309.410 0.354 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCO[C@@H](CO)C1 ZINC000637987953 417267832 /nfs/dbraw/zinc/26/78/32/417267832.db2.gz UPMHTRDVYIPDAF-NWANDNLSSA-N 1 0 308.378 0.139 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC12COC2 ZINC000451127312 417303791 /nfs/dbraw/zinc/30/37/91/417303791.db2.gz AEIHCFAWQTVEDB-AWEZNQCLSA-N 1 0 324.421 0.947 10 0 DCAERO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000439964303 287392003 /nfs/dbraw/zinc/39/20/03/287392003.db2.gz ATWRIPOBTCWORJ-INIZCTEOSA-N 1 0 318.377 0.611 10 0 DCAERO CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639356772 417664663 /nfs/dbraw/zinc/66/46/63/417664663.db2.gz GWZMANXRPKDMIM-BZUAXINKSA-N 1 0 302.378 0.753 10 0 DCAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000645822521 417803117 /nfs/dbraw/zinc/80/31/17/417803117.db2.gz RRTCXSFIORYTCO-GFCCVEGCSA-N 1 0 305.444 0.148 10 0 DCAERO CC(=O)N1CC[N@H+](C[C@@H](O)CC2(O)CCOCC2)C(C)(C)C1 ZINC000630040960 417805459 /nfs/dbraw/zinc/80/54/59/417805459.db2.gz CZFPUXJASKQBMV-AWEZNQCLSA-N 1 0 314.426 0.222 10 0 DCAERO Cc1nn(C)cc1CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000640866210 417934757 /nfs/dbraw/zinc/93/47/57/417934757.db2.gz KGBKIZNXOPVBDC-ZNMIVQPWSA-N 1 0 306.410 0.375 10 0 DCAERO Cc1ccc(S(=O)(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000658408639 417960503 /nfs/dbraw/zinc/96/05/03/417960503.db2.gz MQKUVRUWTSAUSK-UHFFFAOYSA-N 1 0 314.392 0.489 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000648188651 418115498 /nfs/dbraw/zinc/11/54/98/418115498.db2.gz JZRDGUFLLBVPQO-SDDRHHMPSA-N 1 0 305.444 0.433 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000648188649 418115938 /nfs/dbraw/zinc/11/59/38/418115938.db2.gz JZRDGUFLLBVPQO-IJLUTSLNSA-N 1 0 305.444 0.433 10 0 DCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(COC)cc1)C(C)C ZINC000183636353 545908464 /nfs/dbraw/zinc/90/84/64/545908464.db2.gz WHQVXIXMJPCAQJ-MRXNPFEDSA-N 1 0 321.421 0.809 10 0 DCAERO CNC(=O)[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)C(C)C ZINC000183673280 261116661 /nfs/dbraw/zinc/11/66/61/261116661.db2.gz NQEQWVKWLSNCDI-ZDUSSCGKSA-N 1 0 312.414 0.505 10 0 DCAERO C[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000192561077 261138789 /nfs/dbraw/zinc/13/87/89/261138789.db2.gz QBMMWIBSZYJJBE-RYUDHWBXSA-N 1 0 324.425 0.553 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)Cc1ccccc1 ZINC000194713295 261147608 /nfs/dbraw/zinc/14/76/08/261147608.db2.gz HCFXOULUYCLNDG-HNNXBMFYSA-N 1 0 303.406 0.946 10 0 DCAERO CC(C)CS(=O)(=O)CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236734876 261156062 /nfs/dbraw/zinc/15/60/62/261156062.db2.gz HBQQORNYPRSIMI-ZDUSSCGKSA-N 1 0 304.456 0.953 10 0 DCAERO CN1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1=O ZINC000360864171 261884350 /nfs/dbraw/zinc/88/43/50/261884350.db2.gz HAVKGXQXXYVIRE-GFCCVEGCSA-N 1 0 306.366 0.858 10 0 DCAERO CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362876738 262084085 /nfs/dbraw/zinc/08/40/85/262084085.db2.gz QXODOALBBBPMGF-CYBMUJFWSA-N 1 0 317.455 0.259 10 0 DCAERO CCN(CCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C)S(C)(=O)=O ZINC000395244704 262162691 /nfs/dbraw/zinc/16/26/91/262162691.db2.gz UEYNMEQTRMCFDR-NWDGAFQWSA-N 1 0 305.444 0.162 10 0 DCAERO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H](C)[NH3+] ZINC000394555235 262162911 /nfs/dbraw/zinc/16/29/11/262162911.db2.gz IHIVGPMWIWPSLW-DTWKUNHWSA-N 1 0 320.436 0.641 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NC[C@H](O)COCC(C)C)CC1 ZINC000358661182 271064929 /nfs/dbraw/zinc/06/49/29/271064929.db2.gz HVZJKPLQCVDKGJ-HNNXBMFYSA-N 1 0 313.442 0.971 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363458776 271191436 /nfs/dbraw/zinc/19/14/36/271191436.db2.gz BEHFKRFVQGZVRS-ZIAGYGMSSA-N 1 0 303.472 0.873 10 0 DCAERO O[C@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)Cn1ccnn1 ZINC000459691283 272004591 /nfs/dbraw/zinc/00/45/91/272004591.db2.gz GGNJJONEYHCJQI-DLBZAZTESA-N 1 0 315.421 0.893 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000459805579 272009780 /nfs/dbraw/zinc/00/97/80/272009780.db2.gz CCRKXYOTYULSKD-UHFFFAOYSA-N 1 0 311.426 0.426 10 0 DCAERO O=C(Cc1csc2nccn12)NCCNc1cc[nH+]cc1 ZINC000487223193 272039426 /nfs/dbraw/zinc/03/94/26/272039426.db2.gz BJTDDKSGYIMHAN-UHFFFAOYSA-N 1 0 301.375 0.984 10 0 DCAERO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1 ZINC000488803429 272051420 /nfs/dbraw/zinc/05/14/20/272051420.db2.gz IVZKNPPFXWVAKN-AEGPPILISA-N 1 0 323.389 0.916 10 0 DCAERO CC[C@H](C)NC(=O)CN1CCN(Cc2ccnc(C)n2)CC1 ZINC000507142046 272395016 /nfs/dbraw/zinc/39/50/16/272395016.db2.gz HLZLNRKNXWCARV-ZDUSSCGKSA-N 1 0 305.426 0.817 10 0 DCAERO COCc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000515880739 272427905 /nfs/dbraw/zinc/42/79/05/272427905.db2.gz WFSORVSKSBKLJW-UHFFFAOYSA-N 1 0 321.421 0.859 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178735298 275475898 /nfs/dbraw/zinc/47/58/98/275475898.db2.gz UEAOHGSQUXXKPH-HOTGVXAUSA-N 1 0 301.390 0.828 10 0 DCAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261926900 276583584 /nfs/dbraw/zinc/58/35/84/276583584.db2.gz LEWMUGBSENZZDG-MYPMTAMASA-N 1 0 306.410 0.749 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000329512890 277016351 /nfs/dbraw/zinc/01/63/51/277016351.db2.gz XWKPKIUVDYNDDE-CYUUQNCZSA-N 1 0 309.410 0.053 10 0 DCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2CO)C1 ZINC000408044899 277043703 /nfs/dbraw/zinc/04/37/03/277043703.db2.gz CFOCKYNCNJANDI-NWANDNLSSA-N 1 0 311.426 0.206 10 0 DCAERO COC(=O)C[C@@H]1CSCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262809151 277066445 /nfs/dbraw/zinc/06/64/45/277066445.db2.gz SYQVWFJVJABVSU-SECBINFHSA-N 1 0 324.406 0.176 10 0 DCAERO COC(=O)[C@H]1CS(=O)(=O)CCN1CCC[NH+]1CCCCC1 ZINC000129593874 277136891 /nfs/dbraw/zinc/13/68/91/277136891.db2.gz OWNCKBLPMIDJCC-CYBMUJFWSA-N 1 0 318.439 0.134 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000408389921 277237026 /nfs/dbraw/zinc/23/70/26/277237026.db2.gz PIKOTMKHMXSXEU-RYUDHWBXSA-N 1 0 319.409 0.853 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)[N@H+](C)C1 ZINC000408041776 277346107 /nfs/dbraw/zinc/34/61/07/277346107.db2.gz IHIOWYJJEUSZTQ-VLEAKVRGSA-N 1 0 310.316 0.620 10 0 DCAERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000329512893 278068741 /nfs/dbraw/zinc/06/87/41/278068741.db2.gz XWKPKIUVDYNDDE-UQOMUDLDSA-N 1 0 309.410 0.053 10 0 DCAERO CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252363013 278110516 /nfs/dbraw/zinc/11/05/16/278110516.db2.gz FTXYRYYGXCMZJC-XQQFMLRXSA-N 1 0 315.439 0.011 10 0 DCAERO CNS(=O)(=O)c1ccc(C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000547777115 288078097 /nfs/dbraw/zinc/07/80/97/288078097.db2.gz SNUIYVMJRMHFRQ-UHFFFAOYSA-N 1 0 314.411 0.013 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122954120 279143858 /nfs/dbraw/zinc/14/38/58/279143858.db2.gz UHMWDWDQNRJCIM-QJPTWQEYSA-N 1 0 300.403 0.001 10 0 DCAERO C[C@H](CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[NH+](C)CC1 ZINC000333227891 279348109 /nfs/dbraw/zinc/34/81/09/279348109.db2.gz XSJUCBVISNSPAS-APIJFGDWSA-N 1 0 315.483 0.730 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)CC)[C@H](C)C1 ZINC000176868231 279396281 /nfs/dbraw/zinc/39/62/81/279396281.db2.gz PDSUVGLRKMLSIR-CHWSQXEVSA-N 1 0 319.471 0.457 10 0 DCAERO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333704099 279799863 /nfs/dbraw/zinc/79/98/63/279799863.db2.gz OPQDHXSSUCCDAB-LXTVHRRPSA-N 1 0 312.410 0.550 10 0 DCAERO O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188960656 279903759 /nfs/dbraw/zinc/90/37/59/279903759.db2.gz GANIIJIAEJSSSI-BMIGLBTASA-N 1 0 322.434 0.840 10 0 DCAERO CS[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000548800573 288177235 /nfs/dbraw/zinc/17/72/35/288177235.db2.gz OIPKACCHAQYZBE-KGLIPLIRSA-N 1 0 324.450 0.837 10 0 DCAERO O=S(=O)(N[C@H]1CC[NH2+]C1)c1cc2c(cc1Cl)OCCO2 ZINC000123199500 280338790 /nfs/dbraw/zinc/33/87/90/280338790.db2.gz PAERBCDDLSYCSO-QMMMGPOBSA-N 1 0 318.782 0.751 10 0 DCAERO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(C)s1 ZINC000563676635 288696943 /nfs/dbraw/zinc/69/69/43/288696943.db2.gz VOSWIOCBAYOVKH-WDEREUQCSA-N 1 0 302.421 0.726 10 0 DCAERO CN(C)c1nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(=O)[nH]1 ZINC000407988887 289432455 /nfs/dbraw/zinc/43/24/55/289432455.db2.gz IEZRLWAJPKVROU-LBPRGKRZSA-N 1 0 319.409 0.949 10 0 DCAERO CN1CCC(CNC(=O)[C@H]2CNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000172752953 289878343 /nfs/dbraw/zinc/87/83/43/289878343.db2.gz LOPGIDBBYQLZMT-CQSZACIVSA-N 1 0 322.453 0.189 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)NC(=O)NC(C)(C)C)[C@H]2C1 ZINC000408039267 290236176 /nfs/dbraw/zinc/23/61/76/290236176.db2.gz UJHJQESTNWJUID-NWDGAFQWSA-N 1 0 312.414 0.016 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[C@H](C)CO1 ZINC000261784745 297054716 /nfs/dbraw/zinc/05/47/16/297054716.db2.gz NDZBEKNSKTZHFF-UTUOFQBUSA-N 1 0 305.444 0.400 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000367832473 297059133 /nfs/dbraw/zinc/05/91/33/297059133.db2.gz NOEZDEWOVHMQLI-UTUOFQBUSA-N 1 0 303.428 0.072 10 0 DCAERO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000192918182 295197721 /nfs/dbraw/zinc/19/77/21/295197721.db2.gz QSAOANRMZNYZFL-NWDGAFQWSA-N 1 0 311.407 0.947 10 0 DCAERO [NH3+]C[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000238017200 295241490 /nfs/dbraw/zinc/24/14/90/295241490.db2.gz CHYKIWXXGJFIQB-HZPDHXFCSA-N 1 0 303.406 0.662 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000261841501 295271775 /nfs/dbraw/zinc/27/17/75/295271775.db2.gz VARODJPKJXYVAE-AAVRWANBSA-N 1 0 314.451 0.930 10 0 DCAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000261849674 297397777 /nfs/dbraw/zinc/39/77/77/297397777.db2.gz PZQACVAXRCHXTI-TUVASFSCSA-N 1 0 323.437 0.742 10 0 DCAERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000170868246 298083185 /nfs/dbraw/zinc/08/31/85/298083185.db2.gz JUDMXMVRFDDQSU-NEPJUHHUSA-N 1 0 322.409 0.402 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000121019361 300215963 /nfs/dbraw/zinc/21/59/63/300215963.db2.gz INZFMJYASIGJBQ-QWRGUYRKSA-N 1 0 310.398 0.115 10 0 DCAERO C[C@H]1CN(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCO1 ZINC000192748552 300258438 /nfs/dbraw/zinc/25/84/38/300258438.db2.gz JETDDCWOUBHHDU-DLBZAZTESA-N 1 0 311.470 0.894 10 0 DCAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329240492 300420732 /nfs/dbraw/zinc/42/07/32/300420732.db2.gz RADNSGQYNLLMIB-YJNKXOJESA-N 1 0 323.437 0.707 10 0 DCAERO [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCCC1 ZINC000237884934 303354034 /nfs/dbraw/zinc/35/40/34/303354034.db2.gz QXYBBWKSYTYYQS-CYBMUJFWSA-N 1 0 309.410 0.355 10 0 DCAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000583414467 332393569 /nfs/dbraw/zinc/39/35/69/332393569.db2.gz FBOLHOCQBKUCHH-ILXRZTDVSA-N 1 0 314.474 0.981 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000189571860 333118708 /nfs/dbraw/zinc/11/87/08/333118708.db2.gz ARKDAGDYQWPPCN-QWHCGFSZSA-N 1 0 307.442 0.970 10 0 DCAERO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)CC1 ZINC000570949559 333142200 /nfs/dbraw/zinc/14/22/00/333142200.db2.gz LHIPOTIDVMZHDJ-KBPBESRZSA-N 1 0 311.426 0.518 10 0 DCAERO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C[N@@H+]1C1CC1 ZINC000582810913 337183165 /nfs/dbraw/zinc/18/31/65/337183165.db2.gz YWRNWBLYQUYOFM-QWHCGFSZSA-N 1 0 321.421 0.367 10 0 DCAERO Cc1cc([C@H](C)O)c2nc(N3CC[NH+](C)CC3)cc(=O)n2c1 ZINC000584654496 337377757 /nfs/dbraw/zinc/37/77/57/337377757.db2.gz AJRGCZUIALYNLG-LBPRGKRZSA-N 1 0 302.378 0.808 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)Cn1cnc2sccc2c1=O ZINC000577012956 341877235 /nfs/dbraw/zinc/87/72/35/341877235.db2.gz BHXSQMVMGMFMLT-UHFFFAOYSA-N 1 0 308.407 0.868 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cncc(OCCO)n1 ZINC000186527986 533918658 /nfs/dbraw/zinc/91/86/58/533918658.db2.gz DTEGFFHHPTWOMA-CYBMUJFWSA-N 1 0 309.414 0.286 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000157825880 519842717 /nfs/dbraw/zinc/84/27/17/519842717.db2.gz WYWRRWOKPHZJTP-ZDUSSCGKSA-N 1 0 312.414 0.004 10 0 DCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC1 ZINC000191773737 521825648 /nfs/dbraw/zinc/82/56/48/521825648.db2.gz PNIUQIBQODZCTC-OAHLLOKOSA-N 1 0 303.406 0.802 10 0 DCAERO C[NH+](C)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000159195384 521858018 /nfs/dbraw/zinc/85/80/18/521858018.db2.gz JJQNPCHNFWUDHA-RYUDHWBXSA-N 1 0 304.350 0.004 10 0 DCAERO C[NH2+]CCNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000237049620 522009470 /nfs/dbraw/zinc/00/94/70/522009470.db2.gz BFUQXIMUVCDFQU-SNVBAGLBSA-N 1 0 302.371 0.714 10 0 DCAERO CO[C@@H]1CC[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000364999450 523701769 /nfs/dbraw/zinc/70/17/69/523701769.db2.gz FLURDTRMRWZILX-IAGOWNOFSA-N 1 0 311.470 0.940 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246466355 524322382 /nfs/dbraw/zinc/32/23/82/524322382.db2.gz QEGBLFSLWNXFNZ-KGLIPLIRSA-N 1 0 308.426 0.877 10 0 DCAERO C[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccnc2)CC[N@@H+]1C ZINC000158470000 524901006 /nfs/dbraw/zinc/90/10/06/524901006.db2.gz DZLXBJYDSFCZSL-GXTWGEPZSA-N 1 0 304.394 0.753 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000228178005 525045484 /nfs/dbraw/zinc/04/54/84/525045484.db2.gz RZHUFMCJEBKLJQ-XQQFMLRXSA-N 1 0 305.444 0.320 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)Cc1ccccc1 ZINC000105933295 525421877 /nfs/dbraw/zinc/42/18/77/525421877.db2.gz KWENSGNUNWYYLZ-HOCLYGCPSA-N 1 0 305.422 0.954 10 0 DCAERO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000237743006 525569378 /nfs/dbraw/zinc/56/93/78/525569378.db2.gz AYKVKEILUYJYJE-JTQLQIEISA-N 1 0 317.436 0.203 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000332578371 526679731 /nfs/dbraw/zinc/67/97/31/526679731.db2.gz ZXPRCUNBTAJCNN-ZDUSSCGKSA-N 1 0 315.439 0.136 10 0 DCAERO O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001933 526691210 /nfs/dbraw/zinc/69/12/10/526691210.db2.gz SOTOQTXOYMFJGB-PWSUYJOCSA-N 1 0 318.295 0.967 10 0 DCAERO [NH3+]CC(=O)NCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000125147887 527156999 /nfs/dbraw/zinc/15/69/99/527156999.db2.gz LXLNCLSINWZOQO-WDEREUQCSA-N 1 0 311.407 0.238 10 0 DCAERO Cn1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000156709933 527258605 /nfs/dbraw/zinc/25/86/05/527258605.db2.gz UGVQDIHRWKUQKJ-AWEZNQCLSA-N 1 0 319.409 0.836 10 0 DCAERO [NH3+][C@@H](CNC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CC1 ZINC000238047525 527332842 /nfs/dbraw/zinc/33/28/42/527332842.db2.gz LMSUCJRRKLPBCN-LBPRGKRZSA-N 1 0 302.378 0.785 10 0 DCAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000246258825 527369750 /nfs/dbraw/zinc/36/97/50/527369750.db2.gz KUMGCTOBWFHHSW-GUTXKFCHSA-N 1 0 313.467 0.438 10 0 DCAERO CCOCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000174072896 528682909 /nfs/dbraw/zinc/68/29/09/528682909.db2.gz TZQNPWZDZXGPII-HUUCEWRRSA-N 1 0 315.458 0.306 10 0 DCAERO CCn1cnc2c1ncnc2N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284623327 536132387 /nfs/dbraw/zinc/13/23/87/536132387.db2.gz UBDNTWCGXIEMLX-RYUDHWBXSA-N 1 0 302.382 0.756 10 0 DCAERO C[NH2+][C@@](C)(CCn1cc(I)cn1)C(N)=O ZINC000070678593 545661608 /nfs/dbraw/zinc/66/16/08/545661608.db2.gz SXZFODKGYRXPEW-VIFPVBQESA-N 1 0 322.150 0.341 10 0 DCAERO O=S(=O)(CC[C@@H]1CCCO1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158951115 545857556 /nfs/dbraw/zinc/85/75/56/545857556.db2.gz FUYSNSPFSLXYHR-KBPBESRZSA-N 1 0 320.455 0.322 10 0 DCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COCc1ccccc1OC)C(C)C ZINC000183677478 545908724 /nfs/dbraw/zinc/90/87/24/545908724.db2.gz USOUEYUIUIGHEB-GDBMZVCRSA-N 1 0 324.421 0.933 10 0 DCAERO COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000189138320 545919270 /nfs/dbraw/zinc/91/92/70/545919270.db2.gz GTTMBYXASBBGIT-RYUDHWBXSA-N 1 0 308.444 0.691 10 0 DCAERO CNc1ncnc2c1cnn2CC(=O)N(C)Cc1cnn(C)c1 ZINC000194428079 545933304 /nfs/dbraw/zinc/93/33/04/545933304.db2.gz LKLMYCRJEDNMQO-UHFFFAOYSA-N 1 0 314.353 0.260 10 0 DCAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)CCO1 ZINC000245989688 545962780 /nfs/dbraw/zinc/96/27/80/545962780.db2.gz FWYQNTNPKGKZMI-OLZOCXBDSA-N 1 0 306.428 0.148 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000247003984 545966877 /nfs/dbraw/zinc/96/68/77/545966877.db2.gz GXOZERSYIYBAKQ-JHJVBQTASA-N 1 0 317.455 0.255 10 0 DCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c(OC(F)F)c1 ZINC000262102482 545979311 /nfs/dbraw/zinc/97/93/11/545979311.db2.gz IZIQPGLHXLRAIT-ZYHUDNBSSA-N 1 0 302.321 0.967 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(OCC(F)(F)F)cc1 ZINC000262144527 545979412 /nfs/dbraw/zinc/97/94/12/545979412.db2.gz HKRKGDWIVCNXKF-CMPLNLGQSA-N 1 0 318.295 0.938 10 0 DCAERO CC(=O)N(CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O)Cc1ccccc1 ZINC000262137068 545979654 /nfs/dbraw/zinc/97/96/54/545979654.db2.gz GVQYQQOQTPLGMX-HZPDHXFCSA-N 1 0 319.405 0.122 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000262154384 545980067 /nfs/dbraw/zinc/98/00/67/545980067.db2.gz HZCQUJDCRVJATE-YGRLFVJLSA-N 1 0 304.325 0.526 10 0 DCAERO C[C@@H]1Sc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2NC1=O ZINC000262150788 545980282 /nfs/dbraw/zinc/98/02/82/545980282.db2.gz HTLGFUPXOSZQNG-PEXQALLHSA-N 1 0 321.402 0.429 10 0 DCAERO COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262215598 545981348 /nfs/dbraw/zinc/98/13/48/545981348.db2.gz JDSWDZLIKAECMC-AAEUAGOBSA-N 1 0 316.361 0.191 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000262326331 545983931 /nfs/dbraw/zinc/98/39/31/545983931.db2.gz RUVMMRJZVXXTJX-XPUUQOCRSA-N 1 0 305.256 0.116 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(CN2CCCC2=O)cc1 ZINC000262362078 545984702 /nfs/dbraw/zinc/98/47/02/545984702.db2.gz VHAAHVWKGGGCJJ-CABCVRRESA-N 1 0 317.389 0.119 10 0 DCAERO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127731 546035310 /nfs/dbraw/zinc/03/53/10/546035310.db2.gz SSHKGIGDSVIKRY-JKSUJKDBSA-N 1 0 322.453 0.141 10 0 DCAERO Cc1nnc2n1C[C@@H](CNC(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000332875622 546064292 /nfs/dbraw/zinc/06/42/92/546064292.db2.gz DCPKLUHJRQGNDH-KGLIPLIRSA-N 1 0 318.425 0.639 10 0 DCAERO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000333393764 546079972 /nfs/dbraw/zinc/07/99/72/546079972.db2.gz PCRFEQVQKTXKBP-KBPBESRZSA-N 1 0 310.442 0.348 10 0 DCAERO CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000333540755 546084134 /nfs/dbraw/zinc/08/41/34/546084134.db2.gz JFEAATXRABMALR-VXGBXAGGSA-N 1 0 306.414 0.720 10 0 DCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000333685386 546088333 /nfs/dbraw/zinc/08/83/33/546088333.db2.gz ZZQJLTMVDGTNIA-QWHCGFSZSA-N 1 0 308.426 0.923 10 0 DCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333802824 546092734 /nfs/dbraw/zinc/09/27/34/546092734.db2.gz IBSPFZZDVBVQOA-IMJJTQAJSA-N 1 0 324.469 0.879 10 0 DCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)c2coc(Br)c2)C1 ZINC000358052856 546188727 /nfs/dbraw/zinc/18/87/27/546188727.db2.gz GRZIJVZWQFKWSW-LLVKDONJSA-N 1 0 303.156 0.839 10 0 DCAERO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000398210335 546224189 /nfs/dbraw/zinc/22/41/89/546224189.db2.gz ZWAPSNZVJJDBNJ-NSHDSACASA-N 1 0 303.428 0.188 10 0 DCAERO Cn1ncc(Br)c1CNC1CC[NH+](CCO)CC1 ZINC000683768916 548517666 /nfs/dbraw/zinc/51/76/66/548517666.db2.gz LIOSGTXWXRGALR-UHFFFAOYSA-N 1 0 317.231 0.729 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC000888095263 661165994 /nfs/dbraw/zinc/16/59/94/661165994.db2.gz SZPKIOLJGPRDAB-OMNBBPDLSA-N 1 0 320.437 0.938 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000042481278 657675743 /nfs/dbraw/zinc/67/57/43/657675743.db2.gz VMBRSMRCSSICBI-NEPJUHHUSA-N 1 0 322.496 0.753 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723998094 657823938 /nfs/dbraw/zinc/82/39/38/657823938.db2.gz ILSGPCMUONCUOO-RDBSUJKOSA-N 1 0 302.440 0.815 10 0 DCAERO C[C@](O)(C[N@@H+]1CCC(CO)(CO)C1)C(F)(F)C(F)(F)F ZINC000724060990 657931813 /nfs/dbraw/zinc/93/18/13/657931813.db2.gz HLFQFZNWHCJRAD-QMMMGPOBSA-N 1 0 307.259 0.612 10 0 DCAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113979 657980851 /nfs/dbraw/zinc/98/08/51/657980851.db2.gz KDUXJHXPJIVMKD-RQJHMYQMSA-N 1 0 313.288 0.958 10 0 DCAERO CCn1cnc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000725027392 658029875 /nfs/dbraw/zinc/02/98/75/658029875.db2.gz MDMYXJCNNOKXEB-UHFFFAOYSA-N 1 0 302.400 0.031 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CCO)C2CCCC2)C1 ZINC000725084716 658129057 /nfs/dbraw/zinc/12/90/57/658129057.db2.gz CROIBLCMGMXUEW-JSGCOSHPSA-N 1 0 304.456 0.799 10 0 DCAERO CCOc1ccc(-n2ncc(C(=O)NCC3C[NH2+]C3)c2C)nn1 ZINC000262030363 658149235 /nfs/dbraw/zinc/14/92/35/658149235.db2.gz OGPHUKMOTLWHCY-UHFFFAOYSA-N 1 0 316.365 0.319 10 0 DCAERO C[C@H]1CN(C[C@H](O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000187738727 658223517 /nfs/dbraw/zinc/22/35/17/658223517.db2.gz ISOYMGUJXULRLH-NHYWBVRUSA-N 1 0 300.349 0.997 10 0 DCAERO COC(=O)C1CN(c2noc(C[C@@H]([NH3+])c3cccs3)n2)C1 ZINC000757127303 658275994 /nfs/dbraw/zinc/27/59/94/658275994.db2.gz YPKAIOOKVAQORT-SECBINFHSA-N 1 0 308.363 0.983 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000177849380 658314876 /nfs/dbraw/zinc/31/48/76/658314876.db2.gz FYKXMTCDSJNYMP-UHFFFAOYSA-N 1 0 307.398 0.784 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000255657387 658442196 /nfs/dbraw/zinc/44/21/96/658442196.db2.gz QUFKDDZWRUANTE-IRBQFCFKSA-N 1 0 323.418 0.879 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000177157664 658707277 /nfs/dbraw/zinc/70/72/77/658707277.db2.gz STRIIBLCOZHJQM-ZDUSSCGKSA-N 1 0 324.425 0.807 10 0 DCAERO Cc1cc(C(=O)NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)nn1C ZINC000888078264 658726768 /nfs/dbraw/zinc/72/67/68/658726768.db2.gz FCNXGFLHPZSWHM-AWEZNQCLSA-N 1 0 315.377 0.794 10 0 DCAERO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000313287713 659099137 /nfs/dbraw/zinc/09/91/37/659099137.db2.gz FEPXDOYICRMOQO-GFCCVEGCSA-N 1 0 305.396 0.570 10 0 DCAERO [NH2+]=C(NCc1n[nH]cc1Br)NC[C@@H]1CCCO1 ZINC000069672713 665646102 /nfs/dbraw/zinc/64/61/02/665646102.db2.gz AUIHYNDQZSKCMO-ZETCQYMHSA-N 1 0 302.176 0.756 10 0 DCAERO [NH3+][C@H](C(=O)NCc1ccnc(-n2cccn2)c1)C1CCOCC1 ZINC000261627003 661332398 /nfs/dbraw/zinc/33/23/98/661332398.db2.gz CPTRKUYRYSTZGW-HNNXBMFYSA-N 1 0 315.377 0.637 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)C1 ZINC000248955729 661537106 /nfs/dbraw/zinc/53/71/06/661537106.db2.gz LOIHRKUKMLWERL-MNOVXSKESA-N 1 0 307.402 0.853 10 0 DCAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000261744046 661607467 /nfs/dbraw/zinc/60/74/67/661607467.db2.gz DWFWCOTXGPBHEC-LBPRGKRZSA-N 1 0 315.377 0.952 10 0 DCAERO COc1ccc2nnc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000222560972 661620762 /nfs/dbraw/zinc/62/07/62/661620762.db2.gz BAYSKJZEBJPPKP-CQSZACIVSA-N 1 0 313.361 0.857 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000338678888 661757107 /nfs/dbraw/zinc/75/71/07/661757107.db2.gz YVDGWPGMTZUUPW-UONOGXRCSA-N 1 0 311.451 0.995 10 0 DCAERO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000262052482 661996952 /nfs/dbraw/zinc/99/69/52/661996952.db2.gz WFTWLAWNTJHNRL-CYBMUJFWSA-N 1 0 307.419 0.617 10 0 DCAERO CO[C@@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC000721254205 662906473 /nfs/dbraw/zinc/90/64/73/662906473.db2.gz HMDUBTFLOYDSBV-TZMCWYRMSA-N 1 0 304.456 0.510 10 0 DCAERO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000900578471 663256719 /nfs/dbraw/zinc/25/67/19/663256719.db2.gz WJSIMJKUZZHAJQ-ZDUSSCGKSA-N 1 0 317.397 0.514 10 0 DCAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)NC(=O)NC1CC1 ZINC000128664615 663296757 /nfs/dbraw/zinc/29/67/57/663296757.db2.gz LAAHEUXRPUSHGV-QWHCGFSZSA-N 1 0 305.382 0.945 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855418 663648722 /nfs/dbraw/zinc/64/87/22/663648722.db2.gz IVQSGYYMJNEERH-NEPJUHHUSA-N 1 0 303.428 0.140 10 0 DCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000908367222 663752273 /nfs/dbraw/zinc/75/22/73/663752273.db2.gz YRSURGSGTHFXGY-ZWNOBZJWSA-N 1 0 320.393 0.587 10 0 DCAERO O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172504218 664622202 /nfs/dbraw/zinc/62/22/02/664622202.db2.gz KUKOIKXDZMGCIS-AWEZNQCLSA-N 1 0 318.421 0.835 10 0 DCAERO CC(C)N1C(=O)C(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000153214617 664803115 /nfs/dbraw/zinc/80/31/15/664803115.db2.gz MDAQQLJFQDFUCU-VXGBXAGGSA-N 1 0 308.382 0.312 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449697984 666504604 /nfs/dbraw/zinc/50/46/04/666504604.db2.gz MQBSUJUHADVKLT-HZSPNIEDSA-N 1 0 311.451 0.756 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Br)cnc1F ZINC000700865205 666775138 /nfs/dbraw/zinc/77/51/38/666775138.db2.gz TWMAMOOULYLYAS-RCOVLWMOSA-N 1 0 318.146 0.293 10 0 DCAERO C[NH2+]CCOCCNC(=O)c1cc(Br)cnc1F ZINC000700880429 666777730 /nfs/dbraw/zinc/77/77/30/666777730.db2.gz WFYOSFFMRAUCCP-UHFFFAOYSA-N 1 0 320.162 0.949 10 0 DCAERO CCN(CC)C(=O)CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702372706 666946971 /nfs/dbraw/zinc/94/69/71/666946971.db2.gz NMWQSMFXMQAKKN-OAHLLOKOSA-N 1 0 320.437 0.430 10 0 DCAERO CN1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702842294 667010268 /nfs/dbraw/zinc/01/02/68/667010268.db2.gz MZTUGHHIIJNVLO-OCCSQVGLSA-N 1 0 313.442 0.898 10 0 DCAERO [NH3+]C[C@@]1(CO)COCCN1Cc1ccncc1Br ZINC000702846464 667010820 /nfs/dbraw/zinc/01/08/20/667010820.db2.gz WSPGBMQKLXBNNU-GFCCVEGCSA-N 1 0 316.199 0.366 10 0 DCAERO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(Cl)nc1 ZINC000737254452 667141325 /nfs/dbraw/zinc/14/13/25/667141325.db2.gz MPTKLYWGMNPBOP-UHFFFAOYSA-N 1 0 319.752 0.719 10 0 DCAERO C[NH+](C)[C@@H]1CN(C(=O)c2nc(C3CC3)no2)C[C@@H]1n1ccnn1 ZINC000866025400 667360810 /nfs/dbraw/zinc/36/08/10/667360810.db2.gz INPAHKNZISTAJS-MNOVXSKESA-N 1 0 317.353 0.166 10 0 DCAERO [NH3+][C@@H]1CCCCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000709031815 667443822 /nfs/dbraw/zinc/44/38/22/667443822.db2.gz DPWKMJOFRKYDGI-NEPJUHHUSA-N 1 0 320.480 0.637 10 0 DCAERO Cn1cnc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000709818220 667445712 /nfs/dbraw/zinc/44/57/12/667445712.db2.gz MDQWFDDFCXLSOZ-HTQZYQBOSA-N 1 0 312.317 0.178 10 0 DCAERO COC[C@H](C)S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000710229543 667445872 /nfs/dbraw/zinc/44/58/72/667445872.db2.gz DWBPKHRLVNELLX-QMMMGPOBSA-N 1 0 305.425 0.325 10 0 DCAERO Cc1noc(C[C@@]2(O)CCC[N@H+](CCn3ccnc3C)C2)n1 ZINC000886080241 667729657 /nfs/dbraw/zinc/72/96/57/667729657.db2.gz QXGRTBDYIOOPIX-HNNXBMFYSA-N 1 0 305.382 0.953 10 0 DCAERO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2ccnn2C)C[C@@H]1C ZINC000130628057 669632860 /nfs/dbraw/zinc/63/28/60/669632860.db2.gz RRDBNSRVGSZDFY-OKILXGFUSA-N 1 0 308.426 0.920 10 0 DCAERO COCCOC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717145390 669742420 /nfs/dbraw/zinc/74/24/20/669742420.db2.gz DKSFHJYNAKAOCQ-VWYCJHECSA-N 1 0 300.321 0.222 10 0 DCAERO CCOC(=O)c1cnn(CN2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC000133174545 669787424 /nfs/dbraw/zinc/78/74/24/669787424.db2.gz ZRKWPUTWVRRYSO-CYBMUJFWSA-N 1 0 310.398 0.670 10 0 DCAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000794311056 669820435 /nfs/dbraw/zinc/82/04/35/669820435.db2.gz AOCWOOVSKDVREK-JMSVASOKSA-N 1 0 320.397 0.034 10 0 DCAERO O=C1C[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CN1CC1CC1 ZINC000716790878 670272505 /nfs/dbraw/zinc/27/25/05/670272505.db2.gz CGBKPPJKFZUDDP-STQMWFEESA-N 1 0 300.424 0.554 10 0 DCAERO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000193398231 670278276 /nfs/dbraw/zinc/27/82/76/670278276.db2.gz OLLACAXSWYXZRY-PWSUYJOCSA-N 1 0 314.407 0.980 10 0 DCAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000397746447 685273436 /nfs/dbraw/zinc/27/34/36/685273436.db2.gz NCXNLGUULJLTCM-UHFFFAOYSA-N 1 0 312.414 0.986 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ncc(Cl)s1 ZINC000719440718 685310638 /nfs/dbraw/zinc/31/06/38/685310638.db2.gz LNPNYFNAMOYPOM-ZETCQYMHSA-N 1 0 311.816 0.204 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000720813410 685315188 /nfs/dbraw/zinc/31/51/88/685315188.db2.gz ZREKAAQNWANLJX-UTLUCORTSA-N 1 0 316.345 0.564 10 0 DCAERO Cn1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000720812361 685315239 /nfs/dbraw/zinc/31/52/39/685315239.db2.gz UFQFSVLJBSXMHG-IONNQARKSA-N 1 0 312.317 0.178 10 0 DCAERO CCc1nn(C)cc1C[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000721231205 685318357 /nfs/dbraw/zinc/31/83/57/685318357.db2.gz TXVMUUYSVVHWMO-ZDUSSCGKSA-N 1 0 301.412 0.276 10 0 DCAERO C[C@H]([NH3+])CN(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000380161779 685236846 /nfs/dbraw/zinc/23/68/46/685236846.db2.gz WGGIVNMIBOQSAZ-VIFPVBQESA-N 1 0 320.436 0.277 10 0 DCAERO CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000041569993 1171512080 /nfs/dbraw/zinc/51/20/80/1171512080.db2.gz VFHYYPOIXJFNFI-AWEZNQCLSA-N 1 0 310.442 0.189 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)CCc2ccco2)CC1 ZINC000062124089 1172395086 /nfs/dbraw/zinc/39/50/86/1172395086.db2.gz PTFLTWZJPQYOPY-UHFFFAOYSA-N 1 0 307.394 0.835 10 0 DCAERO C[C@@H]1C[C@H](N(C)Cc2nc(CS(C)(=O)=O)no2)CC[N@@H+]1C ZINC000173527933 1183912288 /nfs/dbraw/zinc/91/22/88/1183912288.db2.gz HSXNERROBNWQLZ-GHMZBOCLSA-N 1 0 316.427 0.529 10 0 DCAERO CN1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 ZINC000585187245 767809688 /nfs/dbraw/zinc/80/96/88/767809688.db2.gz MJIYAAIFCVPMMH-UHFFFAOYSA-N 1 0 312.373 0.684 10 0 DCAERO CC[C@H](O)C[NH+]1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000174094420 529702225 /nfs/dbraw/zinc/70/22/25/529702225.db2.gz RNJJUIXTLARIMJ-RYUDHWBXSA-N 1 0 323.359 0.538 10 0 DCAERO CCc1nc(CN2CC[NH+](CCC(=O)NC(C)C)CC2)no1 ZINC000177302439 529736608 /nfs/dbraw/zinc/73/66/08/529736608.db2.gz WHFWMBMKXYFIRU-UHFFFAOYSA-N 1 0 309.414 0.664 10 0 DCAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181567658 199318568 /nfs/dbraw/zinc/31/85/68/199318568.db2.gz NYXJMCVCTRENBX-CMPLNLGQSA-N 1 0 312.391 0.938 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000174903700 530063113 /nfs/dbraw/zinc/06/31/13/530063113.db2.gz SHKZDWADVKAXDV-LBPRGKRZSA-N 1 0 301.350 0.712 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234607673 201906064 /nfs/dbraw/zinc/90/60/64/201906064.db2.gz VUXRRHJBGBUHPE-XVKPBYJWSA-N 1 0 316.379 0.651 10 0 DCAERO Cc1c([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1C ZINC000183377794 199583956 /nfs/dbraw/zinc/58/39/56/199583956.db2.gz VSUHUYJXUDRJBO-CMPLNLGQSA-N 1 0 307.398 0.103 10 0 DCAERO CC1(C)CN(C(=O)C[C@@H]2CSCC[NH2+]2)CCS1(=O)=O ZINC000236635431 201943227 /nfs/dbraw/zinc/94/32/27/201943227.db2.gz UOFMFOMWWBQEBG-SNVBAGLBSA-N 1 0 306.453 0.117 10 0 DCAERO COc1cc(OC)cc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460962 190899100 /nfs/dbraw/zinc/89/91/00/190899100.db2.gz UZGHSWMDPAHCCR-UHFFFAOYSA-N 1 0 303.366 0.690 10 0 DCAERO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171923050 198008621 /nfs/dbraw/zinc/00/86/21/198008621.db2.gz NCANFHRQDZUPPW-LBPRGKRZSA-N 1 0 324.381 0.312 10 0 DCAERO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ocnc3C)CC[C@H]21 ZINC000072428523 191160800 /nfs/dbraw/zinc/16/08/00/191160800.db2.gz RGVZDYZZBSTNOR-QWHCGFSZSA-N 1 0 320.393 0.656 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000174090766 198290665 /nfs/dbraw/zinc/29/06/65/198290665.db2.gz JSXGCQYLROIXNE-INIZCTEOSA-N 1 0 305.422 0.935 10 0 DCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000175612936 290595262 /nfs/dbraw/zinc/59/52/62/290595262.db2.gz GCGSOEGCPDNQBL-UKRRQHHQSA-N 1 0 305.422 1.000 10 0 DCAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776738 199079219 /nfs/dbraw/zinc/07/92/19/199079219.db2.gz RHEVEVSZDMBHDW-VIFPVBQESA-N 1 0 304.350 0.881 10 0 DCAERO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000281008735 216019664 /nfs/dbraw/zinc/01/96/64/216019664.db2.gz UVIZVKVCOXBUAF-WMLDXEAASA-N 1 0 319.405 0.214 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(C(N)=O)co1 ZINC000187066833 237337617 /nfs/dbraw/zinc/33/76/17/237337617.db2.gz JRAFYTPSOZLRGL-LBPRGKRZSA-N 1 0 324.381 0.289 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)nn1 ZINC000154293991 291212756 /nfs/dbraw/zinc/21/27/56/291212756.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 1 0 309.414 0.408 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000156279369 291224245 /nfs/dbraw/zinc/22/42/45/291224245.db2.gz GKBOGDJKACCBDS-HUUCEWRRSA-N 1 0 314.474 0.984 10 0 DCAERO Cc1cccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1F ZINC000313230046 291252358 /nfs/dbraw/zinc/25/23/58/291252358.db2.gz VHXAITCMORULCG-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO Cn1ncc(Br)c1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000415139144 239518403 /nfs/dbraw/zinc/51/84/03/239518403.db2.gz IHLNFGLBEVUFOC-GXSJLCMTSA-N 1 0 301.188 0.355 10 0 DCAERO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000261753741 291338147 /nfs/dbraw/zinc/33/81/47/291338147.db2.gz WTKFRDYFOMTXOQ-RNJOBUHISA-N 1 0 318.439 0.636 10 0 DCAERO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408310087 291343648 /nfs/dbraw/zinc/34/36/48/291343648.db2.gz PXLPDONWAHREDD-JHJVBQTASA-N 1 0 318.439 0.684 10 0 DCAERO COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000092287797 193185643 /nfs/dbraw/zinc/18/56/43/193185643.db2.gz LTJZDZMCTVPMBY-NSHDSACASA-N 1 0 309.341 0.983 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000569157993 291464847 /nfs/dbraw/zinc/46/48/47/291464847.db2.gz WWRQHJTUPIORFH-LPWJVIDDSA-N 1 0 309.410 0.079 10 0 DCAERO C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)C[C@@H]1[NH+](C)C ZINC000274965976 212046509 /nfs/dbraw/zinc/04/65/09/212046509.db2.gz XGPLUGNSNHUWNJ-STQMWFEESA-N 1 0 318.425 0.141 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc2c1ncnc2N ZINC000265070945 204377676 /nfs/dbraw/zinc/37/76/76/204377676.db2.gz NYMSRUZVDIHURZ-QWRGUYRKSA-N 1 0 315.381 0.104 10 0 DCAERO O=C(Nc1cccc2c1OCO2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333101724 284361305 /nfs/dbraw/zinc/36/13/05/284361305.db2.gz DXUPORAYJXABNB-GFCCVEGCSA-N 1 0 318.377 0.927 10 0 DCAERO CCOC(=O)N1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019230381 182108866 /nfs/dbraw/zinc/10/88/66/182108866.db2.gz RVSMKCWPMFGVGG-GFCCVEGCSA-N 1 0 319.427 0.279 10 0 DCAERO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1[NH+](C)C ZINC000573234332 291618619 /nfs/dbraw/zinc/61/86/19/291618619.db2.gz KQMNFOHOQNIRDG-ITGHMWBKSA-N 1 0 323.437 0.325 10 0 DCAERO CN1CCN(Nc2[nH+]cnc(Oc3cccnc3)c2N)CC1 ZINC000040757001 183129758 /nfs/dbraw/zinc/12/97/58/183129758.db2.gz QYNWKICGVYBFBN-UHFFFAOYSA-N 1 0 301.354 0.820 10 0 DCAERO O=C(NCc1nnc2n1CCCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105157824 194081209 /nfs/dbraw/zinc/08/12/09/194081209.db2.gz IKTKOBFQUNRWEH-ZDUSSCGKSA-N 1 0 318.425 0.994 10 0 DCAERO CC[C@H]1CN(CC(=O)NCc2ccco2)CC[N@@H+]1C[C@@H](C)O ZINC000105825327 194137623 /nfs/dbraw/zinc/13/76/23/194137623.db2.gz ZLIQVIRCLUVJGO-KGLIPLIRSA-N 1 0 309.410 0.673 10 0 DCAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874095 194152709 /nfs/dbraw/zinc/15/27/09/194152709.db2.gz NILOPGAVZWIDJK-OLZOCXBDSA-N 1 0 323.441 0.847 10 0 DCAERO CC[NH+]1CCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)CC1 ZINC000061785313 184187263 /nfs/dbraw/zinc/18/72/63/184187263.db2.gz VBCZTAXSJYGGJD-UHFFFAOYSA-N 1 0 312.458 0.433 10 0 DCAERO Cc1ccsc1[C@H](C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062081953 184205120 /nfs/dbraw/zinc/20/51/20/184205120.db2.gz IJIHMZFOGFMHAS-NSHDSACASA-N 1 0 303.453 0.634 10 0 DCAERO 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JDWRRWJOWYSWGR-MJBXVCDLSA-N 1 0 308.426 0.922 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)CCOC2CCOCC2)[N@H+](C)C1 ZINC000346707015 254086860 /nfs/dbraw/zinc/08/68/60/254086860.db2.gz ONVIAFQQAHTLKJ-ZFWWWQNUSA-N 1 0 314.426 0.750 10 0 DCAERO CC[NH+]1CCC(N(C)S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408237469 285186665 /nfs/dbraw/zinc/18/66/65/285186665.db2.gz RFBPQERWECQQPK-OLZOCXBDSA-N 1 0 319.471 0.757 10 0 DCAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000229327379 291914719 /nfs/dbraw/zinc/91/47/19/291914719.db2.gz OJYHIVCBPALZGG-GFCCVEGCSA-N 1 0 302.371 0.791 10 0 DCAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCC[C@H](C(=O)NC4CC4)[C@@H]3C2)cn1 ZINC000248163734 257107324 /nfs/dbraw/zinc/10/73/24/257107324.db2.gz YWQITGQFPGOVQH-JYJNAYRXSA-N 1 0 318.421 0.926 10 0 DCAERO Cn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC3)[C@H]3CCCO[C@@H]23)cn1 ZINC000248118765 257108133 /nfs/dbraw/zinc/10/81/33/257108133.db2.gz JIBPPXJPPUBXQQ-ILXRZTDVSA-N 1 0 304.394 0.792 10 0 DCAERO COCCNC(=O)[C@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 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/nfs/dbraw/zinc/73/06/87/395730687.db2.gz HKQQLAWOMDWHML-UHFFFAOYSA-N 1 0 313.760 0.983 10 0 DCAERO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000045173485 395761957 /nfs/dbraw/zinc/76/19/57/395761957.db2.gz VHXQXRUHDKGCAE-CYBMUJFWSA-N 1 0 309.391 0.437 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000193621922 395774384 /nfs/dbraw/zinc/77/43/84/395774384.db2.gz YGKBIFUDVUANTI-KFWWJZLASA-N 1 0 323.437 0.282 10 0 DCAERO COc1ccccc1CCNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193643470 395775864 /nfs/dbraw/zinc/77/58/64/395775864.db2.gz IPSLBYRGRORDHO-IYBDPMFKSA-N 1 0 317.433 0.847 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000194651324 395803827 /nfs/dbraw/zinc/80/38/27/395803827.db2.gz NDVGGOZDHSPYIR-JTQLQIEISA-N 1 0 310.427 0.701 10 0 DCAERO COc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000112548599 395818804 /nfs/dbraw/zinc/81/88/04/395818804.db2.gz VFFPYLZNLFTNPL-IUODEOHRSA-N 1 0 307.394 0.942 10 0 DCAERO 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ZINC000237070092 395902167 /nfs/dbraw/zinc/90/21/67/395902167.db2.gz QKHJNAJSEITKPX-UHFFFAOYSA-N 1 0 310.398 0.437 10 0 DCAERO CN1C(=O)N(CC(=O)N[C@@H]2CCC[NH2+]C2)C(=O)C12CCCCC2 ZINC000237103515 395903137 /nfs/dbraw/zinc/90/31/37/395903137.db2.gz KTWQTSOHZYNUEU-GFCCVEGCSA-N 1 0 322.409 0.452 10 0 DCAERO CCCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054887063 395907443 /nfs/dbraw/zinc/90/74/43/395907443.db2.gz FKXIZLYMCHLOLU-CQSZACIVSA-N 1 0 311.426 0.474 10 0 DCAERO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCS1(=O)=O ZINC000126725835 395913691 /nfs/dbraw/zinc/91/36/91/395913691.db2.gz FRZNHKHFVXXWDC-RYUDHWBXSA-N 1 0 315.439 0.299 10 0 DCAERO NS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000127173278 395915255 /nfs/dbraw/zinc/91/52/55/395915255.db2.gz URVMZOAJUAFQGS-UHFFFAOYSA-N 1 0 324.406 0.646 10 0 DCAERO CCC[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000055291423 395916386 /nfs/dbraw/zinc/91/63/86/395916386.db2.gz YBWNYEXYHMIDFT-BETUJISGSA-N 1 0 319.471 0.804 10 0 DCAERO O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000238090819 395921426 /nfs/dbraw/zinc/92/14/26/395921426.db2.gz LPKHQCNDCNIBNX-ZDUSSCGKSA-N 1 0 303.362 0.429 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245415460 395927852 /nfs/dbraw/zinc/92/78/52/395927852.db2.gz DGUJMTVLYVFERP-STQMWFEESA-N 1 0 319.471 0.599 10 0 DCAERO NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227566522 395869413 /nfs/dbraw/zinc/86/94/13/395869413.db2.gz NRLFYTSDUXLAHD-LBPRGKRZSA-N 1 0 314.407 0.417 10 0 DCAERO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)N1CCOCC1 ZINC000227721962 395869986 /nfs/dbraw/zinc/86/99/86/395869986.db2.gz LFXJBAAQSZIQNA-CQSZACIVSA-N 1 0 311.407 0.122 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000230852414 395882452 /nfs/dbraw/zinc/88/24/52/395882452.db2.gz XQDBMSZMAYLRJQ-UHFFFAOYSA-N 1 0 306.819 0.823 10 0 DCAERO C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000121226499 395883861 /nfs/dbraw/zinc/88/38/61/395883861.db2.gz 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ZINC000246109238 395941597 /nfs/dbraw/zinc/94/15/97/395941597.db2.gz BUNMUUNSHZEGOS-UONOGXRCSA-N 1 0 301.431 0.805 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000246198544 395943940 /nfs/dbraw/zinc/94/39/40/395943940.db2.gz MUURGBOVBJAFKJ-UONOGXRCSA-N 1 0 320.441 0.782 10 0 DCAERO C[C@@H](CN1CCOCC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246518649 395951909 /nfs/dbraw/zinc/95/19/09/395951909.db2.gz VPPVGCPHIJRNAG-GJZGRUSLSA-N 1 0 310.442 0.587 10 0 DCAERO CN(C)C(=O)[C@H]1CCCN1CC(=O)NCc1ccccc1F ZINC000139571055 395954468 /nfs/dbraw/zinc/95/44/68/395954468.db2.gz FJEGWQCOAKWEON-CQSZACIVSA-N 1 0 307.369 0.995 10 0 DCAERO Cc1cccc(OC[C@H](O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000247113655 395967211 /nfs/dbraw/zinc/96/72/11/395967211.db2.gz JCSPVTBSLQXMQP-WBVHZDCISA-N 1 0 308.422 0.997 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000247298098 395970872 /nfs/dbraw/zinc/97/08/72/395970872.db2.gz LEUAQDMNQRRUNC-UONOGXRCSA-N 1 0 302.440 0.770 10 0 DCAERO C[C@H](C(=O)OC(C)(C)C)N(C)C[C@@H](O)CN1CCCC1=O ZINC000247346102 395972370 /nfs/dbraw/zinc/97/23/70/395972370.db2.gz OLDQBWBLKUUDQD-VXGBXAGGSA-N 1 0 300.399 0.632 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000247399413 395972400 /nfs/dbraw/zinc/97/24/00/395972400.db2.gz WYSKORCDPZCOQR-GJZGRUSLSA-N 1 0 312.458 0.690 10 0 DCAERO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247399457 395972538 /nfs/dbraw/zinc/97/25/38/395972538.db2.gz YGSVIJDYAQIHKU-UONOGXRCSA-N 1 0 309.414 0.531 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000247481017 395973925 /nfs/dbraw/zinc/97/39/25/395973925.db2.gz SRLAVZJFEOPYQC-WFASDCNBSA-N 1 0 312.377 0.971 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151258007 395983076 /nfs/dbraw/zinc/98/30/76/395983076.db2.gz FOBOSQQJRLWKSQ-CQSZACIVSA-N 1 0 314.474 0.815 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253628 395983172 /nfs/dbraw/zinc/98/31/72/395983172.db2.gz PQTPLSDVVRNAFD-QWRGUYRKSA-N 1 0 316.365 0.762 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C[C@H]1C ZINC000248626586 395990904 /nfs/dbraw/zinc/99/09/04/395990904.db2.gz OFKBNVINPUOGPH-DYEKYZERSA-N 1 0 321.425 0.364 10 0 DCAERO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000248690372 395994395 /nfs/dbraw/zinc/99/43/95/395994395.db2.gz XSKGEXWHOVMMNK-YCSXPIEVSA-N 1 0 314.389 0.650 10 0 DCAERO CCn1cc([C@H]2CN(C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709030 395995249 /nfs/dbraw/zinc/99/52/49/395995249.db2.gz IIWKLVCWYQLWML-HUUCEWRRSA-N 1 0 322.409 0.260 10 0 DCAERO CC[C@@H]1CN(C(=O)c2cc(C(=O)OC)co2)CCN1C[C@H](C)O ZINC000248709241 395995314 /nfs/dbraw/zinc/99/53/14/395995314.db2.gz BGXHELQIOACNGZ-WCQYABFASA-N 1 0 324.377 0.983 10 0 DCAERO CC(C)[C@H](CNC(=O)NC[C@@H](O)C(C)C)[NH+]1CCN(C)CC1 ZINC000153254088 396023205 /nfs/dbraw/zinc/02/32/05/396023205.db2.gz YINQYEUOYZZPGV-LSDHHAIUSA-N 1 0 314.474 0.575 10 0 DCAERO 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XJPFBJVYSISHCT-QWHCGFSZSA-N 1 0 318.439 0.732 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc2cccnc21 ZINC000261803090 396067763 /nfs/dbraw/zinc/06/77/63/396067763.db2.gz UZQKYZVYWGNVQW-UHFFFAOYSA-N 1 0 312.373 0.739 10 0 DCAERO NCc1nc(CN2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000261819359 396069253 /nfs/dbraw/zinc/06/92/53/396069253.db2.gz SDCBUWGDMNCYGC-UHFFFAOYSA-N 1 0 309.414 0.605 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249143023 396003410 /nfs/dbraw/zinc/00/34/10/396003410.db2.gz WKJLPOLMHRVKMV-UONOGXRCSA-N 1 0 304.456 0.941 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cn(C)nc1C ZINC000249261000 396004698 /nfs/dbraw/zinc/00/46/98/396004698.db2.gz ZBHPCFAMALZGLX-OLZOCXBDSA-N 1 0 319.409 0.752 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)C1CCOCC1 ZINC000262015537 396089941 /nfs/dbraw/zinc/08/99/41/396089941.db2.gz OLSPRCBUWGUTHG-XJKSGUPXSA-N 1 0 323.437 0.790 10 0 DCAERO O=C(NCCN1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000069894376 396093942 /nfs/dbraw/zinc/09/39/42/396093942.db2.gz LPYWWPKTKUIQNA-MRXNPFEDSA-N 1 0 324.469 0.979 10 0 DCAERO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)CSC)CC2 ZINC000169792927 396094015 /nfs/dbraw/zinc/09/40/15/396094015.db2.gz WREOUDZGWBGSOB-ZDUSSCGKSA-N 1 0 316.467 0.529 10 0 DCAERO O=C(CCOC1C[NH2+]C1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000262059852 396094665 /nfs/dbraw/zinc/09/46/65/396094665.db2.gz VTQIXXYNHSJENM-OAHLLOKOSA-N 1 0 307.369 0.677 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000262092642 396097978 /nfs/dbraw/zinc/09/79/78/396097978.db2.gz AWCODVFWQFHMDN-UHFFFAOYSA-N 1 0 300.380 0.797 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000170844878 396098410 /nfs/dbraw/zinc/09/84/10/396098410.db2.gz ZULNEMZGYRXBBF-NSHDSACASA-N 1 0 309.341 0.935 10 0 DCAERO Cn1c2ccccc2n(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c1=O ZINC000170856334 396098658 /nfs/dbraw/zinc/09/86/58/396098658.db2.gz BYECYKMWBGUAFB-ZDUSSCGKSA-N 1 0 316.405 0.893 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000170874811 396099879 /nfs/dbraw/zinc/09/98/79/396099879.db2.gz LJMOEMADOZDZNB-LLVKDONJSA-N 1 0 312.395 0.502 10 0 DCAERO CS(=O)(=O)c1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460999 396101968 /nfs/dbraw/zinc/10/19/68/396101968.db2.gz WKFQHSOUCNYXHV-UHFFFAOYSA-N 1 0 321.406 0.076 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000171212264 396110873 /nfs/dbraw/zinc/11/08/73/396110873.db2.gz CMTXQKUEXMBWPR-UHFFFAOYSA-N 1 0 314.430 0.074 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262292010 396118696 /nfs/dbraw/zinc/11/86/96/396118696.db2.gz OUHROPWVMSUELU-XHSDSOJGSA-N 1 0 303.406 0.348 10 0 DCAERO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262292443 396119113 /nfs/dbraw/zinc/11/91/13/396119113.db2.gz HSAPDBRDPYZEMN-BBRMVZONSA-N 1 0 310.442 0.269 10 0 DCAERO Cc1cc(NC(=O)CN(C)C(=O)C2(C[NH3+])CCOCC2)no1 ZINC000262306994 396121100 /nfs/dbraw/zinc/12/11/00/396121100.db2.gz PFSZDDZARUWOHM-UHFFFAOYSA-N 1 0 310.354 0.135 10 0 DCAERO O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262457926 396142997 /nfs/dbraw/zinc/14/29/97/396142997.db2.gz VNEZZMGWZQUTHO-RNFRBKRXSA-N 1 0 302.128 0.211 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000262332038 396125472 /nfs/dbraw/zinc/12/54/72/396125472.db2.gz SISAPVXNHMOXRE-CWRNSKLLSA-N 1 0 321.396 0.487 10 0 DCAERO CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262345336 396127649 /nfs/dbraw/zinc/12/76/49/396127649.db2.gz GPWSCFOURILWOY-KKUMJFAQSA-N 1 0 324.469 0.433 10 0 DCAERO C[NH2+]CCC(=O)N1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000262357708 396129756 /nfs/dbraw/zinc/12/97/56/396129756.db2.gz JVUXDBHJPAQWGM-LBPRGKRZSA-N 1 0 309.414 0.835 10 0 DCAERO C[C@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000262390863 396134512 /nfs/dbraw/zinc/13/45/12/396134512.db2.gz OEVBNIYNFBIPLH-JHJVBQTASA-N 1 0 306.410 0.906 10 0 DCAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173769554 396135991 /nfs/dbraw/zinc/13/59/91/396135991.db2.gz LNCOZSFPCGTDDO-MRXNPFEDSA-N 1 0 322.453 0.729 10 0 DCAERO C[C@H](CN1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173864541 396136096 /nfs/dbraw/zinc/13/60/96/396136096.db2.gz KOEVIFXODUPATD-HUUCEWRRSA-N 1 0 308.426 0.363 10 0 DCAERO CC(C)Cn1ccnc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261885483 396075647 /nfs/dbraw/zinc/07/56/47/396075647.db2.gz UOSBGOCXRLYSFP-GFCCVEGCSA-N 1 0 307.398 0.736 10 0 DCAERO CC1CCC(NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956287 396084407 /nfs/dbraw/zinc/08/44/07/396084407.db2.gz NYCYHFQOOIOSGV-UHFFFAOYSA-N 1 0 310.442 0.045 10 0 DCAERO C[C@H](NC(=O)c1ccco1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263204716 396205858 /nfs/dbraw/zinc/20/58/58/396205858.db2.gz JOCXBJQZXDRELR-UWVGGRQHSA-N 1 0 305.338 0.730 10 0 DCAERO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000178741886 396207490 /nfs/dbraw/zinc/20/74/90/396207490.db2.gz ZLTTTYGYKZVIPI-OLZOCXBDSA-N 1 0 311.451 0.946 10 0 DCAERO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1C[NH2+]C1 ZINC000263248966 396209508 /nfs/dbraw/zinc/20/95/08/396209508.db2.gz DNNSKXOUNWEDOV-CQSZACIVSA-N 1 0 302.422 0.533 10 0 DCAERO C[NH2+][C@@H](C(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cnn(C)c1 ZINC000262515748 396149962 /nfs/dbraw/zinc/14/99/62/396149962.db2.gz KDVROHDTLTXXSX-MWLCHTKSSA-N 1 0 306.288 0.206 10 0 DCAERO Cn1nc(CC(=O)NC2(C[NH3+])CCCC2)c2ccccc2c1=O ZINC000262605547 396160445 /nfs/dbraw/zinc/16/04/45/396160445.db2.gz SKIDVQKYODWLJQ-UHFFFAOYSA-N 1 0 314.389 0.864 10 0 DCAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccccn1 ZINC000176855638 396161379 /nfs/dbraw/zinc/16/13/79/396161379.db2.gz DKHMVFIYJTVHNH-ZDUSSCGKSA-N 1 0 322.409 0.284 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCO1 ZINC000177677127 396181161 /nfs/dbraw/zinc/18/11/61/396181161.db2.gz JFVNOAPKPPZLKR-ZDUSSCGKSA-N 1 0 309.341 0.553 10 0 DCAERO NC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000177681502 396181392 /nfs/dbraw/zinc/18/13/92/396181392.db2.gz JUHYDFSNZRUHMB-ZDUSSCGKSA-N 1 0 316.361 0.031 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000262777449 396181457 /nfs/dbraw/zinc/18/14/57/396181457.db2.gz OCRRYPAVKDLKIY-MNOVXSKESA-N 1 0 312.391 0.734 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)oc1C ZINC000262778524 396181577 /nfs/dbraw/zinc/18/15/77/396181577.db2.gz OKCBLJNIEQGLLP-KCJUWKMLSA-N 1 0 316.379 0.651 10 0 DCAERO Cn1cc(N2CC[C@@H](N3CC[N@@H+]4CCCC[C@@H]4C3)C2=O)cn1 ZINC000177769227 396182922 /nfs/dbraw/zinc/18/29/22/396182922.db2.gz UYRYYLFQEBRDRH-UKRRQHHQSA-N 1 0 303.410 0.696 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000075962905 396190726 /nfs/dbraw/zinc/19/07/26/396190726.db2.gz BVMPMJJDCOFYBW-QGZVFWFLSA-N 1 0 319.449 1.000 10 0 DCAERO C[C@@H](NC(=O)c1ccoc1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263289246 396212193 /nfs/dbraw/zinc/21/21/93/396212193.db2.gz VKNOJAYRIDNOMY-MWLCHTKSSA-N 1 0 305.338 0.730 10 0 DCAERO C[C@@H]1CCN(CC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000076119977 396196690 /nfs/dbraw/zinc/19/66/90/396196690.db2.gz QBVGSNGOEPJWTO-CYBMUJFWSA-N 1 0 304.394 0.778 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263066514 396199659 /nfs/dbraw/zinc/19/96/59/396199659.db2.gz WAHZDDVDGJLHTP-PBHICJAKSA-N 1 0 324.469 0.517 10 0 DCAERO C[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCC[NH2+]1 ZINC000180905256 396235666 /nfs/dbraw/zinc/23/56/66/396235666.db2.gz CQLUSEQIRROIRG-GFCCVEGCSA-N 1 0 317.436 0.544 10 0 DCAERO CC[C@@H]1CN(C(=O)COCCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000181101955 396236867 /nfs/dbraw/zinc/23/68/67/396236867.db2.gz LXMYYYGIHXSYPV-ZIAGYGMSSA-N 1 0 302.415 0.343 10 0 DCAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182858045 396255904 /nfs/dbraw/zinc/25/59/04/396255904.db2.gz OTUNLWSJOKUUMQ-JTQLQIEISA-N 1 0 311.407 0.605 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000183137787 396262058 /nfs/dbraw/zinc/26/20/58/396262058.db2.gz AAMZWIFTACECNH-SNVBAGLBSA-N 1 0 300.380 0.797 10 0 DCAERO Cn1nnc2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC000183339096 396267131 /nfs/dbraw/zinc/26/71/31/396267131.db2.gz BYQMUIVBHLFUIG-CYBMUJFWSA-N 1 0 317.393 0.545 10 0 DCAERO COc1ccc([C@@H](NC(=O)C2C[NH2+]C2)c2nccn2C)cc1 ZINC000263335619 396214531 /nfs/dbraw/zinc/21/45/31/396214531.db2.gz WCUBPPWACADVAQ-CQSZACIVSA-N 1 0 300.362 0.854 10 0 DCAERO COc1ccccc1CN(C)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179179906 396223253 /nfs/dbraw/zinc/22/32/53/396223253.db2.gz BJCADIALTXJTGD-ZIAGYGMSSA-N 1 0 308.378 0.081 10 0 DCAERO Cc1nc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(=O)[nH]c1C ZINC000184081071 396284197 /nfs/dbraw/zinc/28/41/97/396284197.db2.gz NESUEBDSTCNPLK-LLVKDONJSA-N 1 0 321.425 0.143 10 0 DCAERO Cc1nc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(=O)[nH]c1C ZINC000184081042 396284228 /nfs/dbraw/zinc/28/42/28/396284228.db2.gz NESUEBDSTCNPLK-NSHDSACASA-N 1 0 321.425 0.143 10 0 DCAERO Cc1nc(C)c(C(=O)NC[C@@](C)(O)CN2CCOCC2)nc1C ZINC000184315575 396290251 /nfs/dbraw/zinc/29/02/51/396290251.db2.gz XAYIELSLMGZQBL-MRXNPFEDSA-N 1 0 322.409 0.215 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC000184452329 396295830 /nfs/dbraw/zinc/29/58/30/396295830.db2.gz MHOMUTAOPOSLBE-LBPRGKRZSA-N 1 0 302.382 0.920 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccnn2C)CC1 ZINC000184856721 396308659 /nfs/dbraw/zinc/30/86/59/396308659.db2.gz WKIUMDNDIWIXMF-CYBMUJFWSA-N 1 0 323.441 0.654 10 0 DCAERO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000185191595 396321226 /nfs/dbraw/zinc/32/12/26/396321226.db2.gz XONZZJOCDZPDPA-UWVGGRQHSA-N 1 0 318.361 0.703 10 0 DCAERO CN1CC[NH+](CCC(C)(C)NC(=O)NCC2(C)COC2)CC1 ZINC000185388032 396326909 /nfs/dbraw/zinc/32/69/09/396326909.db2.gz AHDVCWGZDLSRRN-UHFFFAOYSA-N 1 0 312.458 0.738 10 0 DCAERO COCC1=CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000185835105 396335254 /nfs/dbraw/zinc/33/52/54/396335254.db2.gz KFMXCFOLAXDISO-GFCCVEGCSA-N 1 0 309.410 0.390 10 0 DCAERO CC[C@@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC000186190090 396343697 /nfs/dbraw/zinc/34/36/97/396343697.db2.gz QVSBJKBTQWQDCH-CYBMUJFWSA-N 1 0 314.430 0.217 10 0 DCAERO Cc1cc(N2CC[C@H](N(C)CC[N@H+](C)C3CC3)C2=O)n(C)n1 ZINC000186731849 396356729 /nfs/dbraw/zinc/35/67/29/396356729.db2.gz AWYJTNKERKRRGF-AWEZNQCLSA-N 1 0 305.426 0.860 10 0 DCAERO Cc1nnc2ccc(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)cn12 ZINC000285853311 396357990 /nfs/dbraw/zinc/35/79/90/396357990.db2.gz QJTPHRDQBCVRRN-UONOGXRCSA-N 1 0 315.377 0.583 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n(C)c1=O ZINC000187766091 396373579 /nfs/dbraw/zinc/37/35/79/396373579.db2.gz QHMKLRSBJDZSED-KBPBESRZSA-N 1 0 317.393 0.554 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+]3CCC2CC3)co1 ZINC000188619973 396383760 /nfs/dbraw/zinc/38/37/60/396383760.db2.gz IHYDSNRGRYCMDX-UHFFFAOYSA-N 1 0 313.379 0.108 10 0 DCAERO CC1(Cn2cc(C(=O)N3CC[NH+]4CCC3CC4)nn2)COC1 ZINC000188644417 396384158 /nfs/dbraw/zinc/38/41/58/396384158.db2.gz IHXHGQANHCROAT-UHFFFAOYSA-N 1 0 305.382 0.235 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCC(n2ccnc2)CC1 ZINC000189425953 396395353 /nfs/dbraw/zinc/39/53/53/396395353.db2.gz NWZFHUYWGLNYJB-UHFFFAOYSA-N 1 0 312.439 0.946 10 0 DCAERO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCCN1c1nccs1 ZINC000189472975 396396064 /nfs/dbraw/zinc/39/60/64/396396064.db2.gz QTPQENPFUZGRFE-CYBMUJFWSA-N 1 0 324.450 0.950 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190085944 396402320 /nfs/dbraw/zinc/40/23/20/396402320.db2.gz GOEVNJAMBONFAP-CMPLNLGQSA-N 1 0 305.382 0.362 10 0 DCAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(C)C(=O)C2)C1 ZINC000190050505 396402345 /nfs/dbraw/zinc/40/23/45/396402345.db2.gz BRFOXYXSKOJTAB-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCS[C@H](C)CC1 ZINC000192174813 396430101 /nfs/dbraw/zinc/43/01/01/396430101.db2.gz MCRGZIZMGWMFFV-NEPJUHHUSA-N 1 0 313.467 0.939 10 0 DCAERO C[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000192491418 396431703 /nfs/dbraw/zinc/43/17/03/396431703.db2.gz UAAUTJHIGKWCBV-GUTXKFCHSA-N 1 0 306.410 0.972 10 0 DCAERO CN(C)S(=O)(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192937469 396441053 /nfs/dbraw/zinc/44/10/53/396441053.db2.gz HEKKYTCWKUGVAF-CQSZACIVSA-N 1 0 312.439 0.642 10 0 DCAERO Cn1c2ccccc2cc(CN2CCOC[C@H]2CC(N)=O)c1=O ZINC000515178505 396500215 /nfs/dbraw/zinc/50/02/15/396500215.db2.gz SDXOQTURNVZRHQ-CQSZACIVSA-N 1 0 315.373 0.615 10 0 DCAERO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCSCC2)C[N@@H+]1C1CC1 ZINC000580977394 396516722 /nfs/dbraw/zinc/51/67/22/396516722.db2.gz RRIRALVPJBUHEI-RYUDHWBXSA-N 1 0 311.451 0.693 10 0 DCAERO CCc1noc([C@H](C)N2CCN(C(=O)CC[C@H](C)[NH3+])CC2)n1 ZINC000193312725 396449056 /nfs/dbraw/zinc/44/90/56/396449056.db2.gz YVUCAIFYCVQUJF-RYUDHWBXSA-N 1 0 309.414 0.965 10 0 DCAERO CCOc1ccncc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000289272361 396457842 /nfs/dbraw/zinc/45/78/42/396457842.db2.gz ZRMGUUVQSFPJIT-GFCCVEGCSA-N 1 0 311.407 0.949 10 0 DCAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN2CCOC[C@@H]2C1 ZINC000373084656 396564787 /nfs/dbraw/zinc/56/47/87/396564787.db2.gz TWPFZTIEEAAYDE-CVEARBPZSA-N 1 0 322.453 0.729 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)[C@H](C)OC)CC1 ZINC000562249213 396653965 /nfs/dbraw/zinc/65/39/65/396653965.db2.gz OCLOBEMQPHJLAE-ZNMIVQPWSA-N 1 0 314.474 0.983 10 0 DCAERO CC(=O)N1Cc2ccc(S(=O)(=O)N3CCC[NH2+]CC3)cc2C1 ZINC000563446363 396738235 /nfs/dbraw/zinc/73/82/35/396738235.db2.gz RIGCXAPYRKELPP-UHFFFAOYSA-N 1 0 323.418 0.533 10 0 DCAERO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH]1 ZINC000590314131 396757463 /nfs/dbraw/zinc/75/74/63/396757463.db2.gz BRFYZHFXIXOXJS-ZDUSSCGKSA-N 1 0 306.410 0.949 10 0 DCAERO Cc1cnc([C@@H](C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)s1 ZINC000311893634 396761968 /nfs/dbraw/zinc/76/19/68/396761968.db2.gz DOXXJLNZWACICK-ZJUUUORDSA-N 1 0 305.425 0.420 10 0 DCAERO CC[N@H+](CC(=O)N1CC(N2CCn3c(C)nnc3C2)C1)C1CC1 ZINC000328626257 396824576 /nfs/dbraw/zinc/82/45/76/396824576.db2.gz 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/nfs/dbraw/zinc/10/87/70/158108770.db2.gz NOQOCYZXJWVNIJ-UONOGXRCSA-N 1 0 318.425 0.791 10 0 DCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000091768239 158109426 /nfs/dbraw/zinc/10/94/26/158109426.db2.gz UVZRTEWAZSWSTL-KGLIPLIRSA-N 1 0 318.425 0.791 10 0 DCAERO Cc1cnn([C@@H]2CCC[N@H+](CCCN3C(=O)CNC3=O)C2)c1 ZINC000105901573 158132417 /nfs/dbraw/zinc/13/24/17/158132417.db2.gz WKMXUACIFUWMBP-CYBMUJFWSA-N 1 0 305.382 0.770 10 0 DCAERO COC(=O)CNC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000111212452 158140581 /nfs/dbraw/zinc/14/05/81/158140581.db2.gz LQUIYDNRMBRQOV-UHFFFAOYSA-N 1 0 308.382 0.279 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000112143209 158142462 /nfs/dbraw/zinc/14/24/62/158142462.db2.gz XAZXWBXVEZEKSB-NXEZZACHSA-N 1 0 322.331 0.495 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113613975 158149185 /nfs/dbraw/zinc/14/91/85/158149185.db2.gz CUHOQHQAUHEQOZ-NWDGAFQWSA-N 1 0 303.428 0.299 10 0 DCAERO 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/nfs/dbraw/zinc/25/31/91/158253191.db2.gz WURJUYJGKYXVQA-RYUDHWBXSA-N 1 0 319.471 0.551 10 0 DCAERO C[C@H]([NH2+]CCC1OCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000125345529 158253685 /nfs/dbraw/zinc/25/36/85/158253685.db2.gz DWJGOUYWRWFQOW-JTQLQIEISA-N 1 0 300.380 0.748 10 0 DCAERO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000125460517 158254843 /nfs/dbraw/zinc/25/48/43/158254843.db2.gz LVVLUAILCPQMJC-VXGBXAGGSA-N 1 0 311.426 0.517 10 0 DCAERO COC[C@H](O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000126671703 158267363 /nfs/dbraw/zinc/26/73/63/158267363.db2.gz DPKMXJKPABKFOU-CYBMUJFWSA-N 1 0 310.398 0.462 10 0 DCAERO CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126891362 158269174 /nfs/dbraw/zinc/26/91/74/158269174.db2.gz SPILMPKFCALBPP-CQSZACIVSA-N 1 0 304.394 0.696 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(CCO)CCOC1 ZINC000130119294 158293319 /nfs/dbraw/zinc/29/33/19/158293319.db2.gz IBPJQMYXCDQEKV-HOCLYGCPSA-N 1 0 313.442 0.949 10 0 DCAERO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)cn2)C[C@@H](C)O1 ZINC000164669879 158363268 /nfs/dbraw/zinc/36/32/68/158363268.db2.gz YZEZHXSYBFTJNF-VXGBXAGGSA-N 1 0 304.394 0.803 10 0 DCAERO C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)n1cncn1 ZINC000170953337 158378200 /nfs/dbraw/zinc/37/82/00/158378200.db2.gz PEOZNAIUEDGJEX-CABCVRRESA-N 1 0 320.441 0.468 10 0 DCAERO COCC[N@H+](C)CCNC(=O)N1CCC(n2cncn2)CC1 ZINC000171211229 158380481 /nfs/dbraw/zinc/38/04/81/158380481.db2.gz ZAGNLYXAVIWJNX-UHFFFAOYSA-N 1 0 310.402 0.203 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171132856 158380614 /nfs/dbraw/zinc/38/06/14/158380614.db2.gz UMQKSDYYQOMMGI-GJZGRUSLSA-N 1 0 324.469 0.386 10 0 DCAERO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000171868640 158387412 /nfs/dbraw/zinc/38/74/12/158387412.db2.gz QGLADUUELMQBAC-CQSZACIVSA-N 1 0 318.425 0.767 10 0 DCAERO CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175293940 158426272 /nfs/dbraw/zinc/42/62/72/158426272.db2.gz 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ZINC000261830521 158744144 /nfs/dbraw/zinc/74/41/44/158744144.db2.gz HZFNEHTZEUPKQU-KBPBESRZSA-N 1 0 315.377 0.846 10 0 DCAERO C[C@]1(CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000262047075 158767104 /nfs/dbraw/zinc/76/71/04/158767104.db2.gz PTZKDCCMSIJHIO-INIZCTEOSA-N 1 0 323.462 0.993 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262052908 158768116 /nfs/dbraw/zinc/76/81/16/158768116.db2.gz RBOOKHSGXDKBLA-MRXNPFEDSA-N 1 0 305.378 0.622 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Br)ccc1F ZINC000262136992 158776777 /nfs/dbraw/zinc/77/67/77/158776777.db2.gz GVKXKGDYNVZSEZ-RDDDGLTNSA-N 1 0 317.158 0.898 10 0 DCAERO O=C(Cc1ccc(Br)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262204169 158784354 /nfs/dbraw/zinc/78/43/54/158784354.db2.gz IITZQNGFENUZCX-ZYHUDNBSSA-N 1 0 313.195 0.688 10 0 DCAERO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262292002 158792833 /nfs/dbraw/zinc/79/28/33/158792833.db2.gz OUALXXAAWSNYBE-GDBMZVCRSA-N 1 0 314.389 0.501 10 0 DCAERO 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/nfs/dbraw/zinc/08/89/79/159088979.db2.gz YNTPMBIDVVMLHL-CYBMUJFWSA-N 1 0 322.409 0.120 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nccnc3C(N)=O)[C@H]2C1 ZINC000329543684 159100788 /nfs/dbraw/zinc/10/07/88/159100788.db2.gz ODFQOVUQUBZJMV-WDEREUQCSA-N 1 0 319.365 0.295 10 0 DCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@]3(CCOC3)C2)C1 ZINC000329905874 159127698 /nfs/dbraw/zinc/12/76/98/159127698.db2.gz RSUGKRZUDWYAFV-IUODEOHRSA-N 1 0 311.382 0.252 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1CCCCNC1=O ZINC000332745328 159212592 /nfs/dbraw/zinc/21/25/92/159212592.db2.gz DFWFBZYSAAWYRG-UONOGXRCSA-N 1 0 310.442 0.045 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)[C@H]2CCCc3c[nH]nc32)CC1(C)C ZINC000367029369 159306070 /nfs/dbraw/zinc/30/60/70/159306070.db2.gz ITTDHPYLJVAPRA-AWEZNQCLSA-N 1 0 319.453 0.972 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(c3cncc4nncn43)CC2)CCO1 ZINC000367811096 159356677 /nfs/dbraw/zinc/35/66/77/159356677.db2.gz SUACFTNYBSVYOP-LBPRGKRZSA-N 1 0 302.382 0.814 10 0 DCAERO C[C@@H](C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262570099 286755253 /nfs/dbraw/zinc/75/52/53/286755253.db2.gz SFTDMESXSAINTI-IUODEOHRSA-N 1 0 301.390 0.932 10 0 DCAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000368490087 159397756 /nfs/dbraw/zinc/39/77/56/159397756.db2.gz KFWDLRSBAJMTAH-DVOMOZLQSA-N 1 0 311.426 0.336 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCO)CC1=O ZINC000368513870 159399249 /nfs/dbraw/zinc/39/92/49/159399249.db2.gz IPCGBENCDKBZHD-UONOGXRCSA-N 1 0 311.426 0.160 10 0 DCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000407995149 160006492 /nfs/dbraw/zinc/00/64/92/160006492.db2.gz GJVILPSOGKRQAM-JSGCOSHPSA-N 1 0 302.440 0.944 10 0 DCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015888 160011852 /nfs/dbraw/zinc/01/18/52/160011852.db2.gz DTVMPGRQJJNNHM-VXGBXAGGSA-N 1 0 303.428 0.109 10 0 DCAERO CN(C)C(=O)c1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)[nH]1 ZINC000408033471 160017304 /nfs/dbraw/zinc/01/73/04/160017304.db2.gz MJJNRJDWSNSUFI-HUUCEWRRSA-N 1 0 306.410 0.621 10 0 DCAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000408045683 160021558 /nfs/dbraw/zinc/02/15/58/160021558.db2.gz SKNMSBPMHMZVKL-MJBXVCDLSA-N 1 0 320.455 0.178 10 0 DCAERO Cc1nnc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1C ZINC000408074256 160030472 /nfs/dbraw/zinc/03/04/72/160030472.db2.gz ZHRRUEPZWOQRQP-WDEREUQCSA-N 1 0 301.416 0.074 10 0 DCAERO COC(=O)C1CCN(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000408090227 160033393 /nfs/dbraw/zinc/03/33/93/160033393.db2.gz CEPSBLQAVOKMBL-AWEZNQCLSA-N 1 0 309.410 0.178 10 0 DCAERO C[C@H]1C[N@H+](C)CCN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000408113515 160039179 /nfs/dbraw/zinc/03/91/79/160039179.db2.gz WQMPUQGEHAIKNE-LBPRGKRZSA-N 1 0 302.378 0.608 10 0 DCAERO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@H](C)O)CC1 ZINC000408127960 160043076 /nfs/dbraw/zinc/04/30/76/160043076.db2.gz IAKBUSDIPIPGSM-MBNYWOFBSA-N 1 0 311.426 0.192 10 0 DCAERO 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FKYPMIVVFPYHOA-KGLIPLIRSA-N 1 0 319.471 0.063 10 0 DCAERO Cc1nnc([C@@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CCO2)[nH]1 ZINC000408271775 160073672 /nfs/dbraw/zinc/07/36/72/160073672.db2.gz ZJNSRVNUWNQMCV-GVXVVHGQSA-N 1 0 307.398 0.886 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408336021 160087734 /nfs/dbraw/zinc/08/77/34/160087734.db2.gz LRAJDCFZTKKFBK-RWMBFGLXSA-N 1 0 307.460 0.660 10 0 DCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408371578 160093732 /nfs/dbraw/zinc/09/37/32/160093732.db2.gz ZCXMSVCNQOYASS-IHRRRGAJSA-N 1 0 321.421 0.714 10 0 DCAERO C[NH+]1CCN(c2ccc(NC(=O)C3CC(C)(O)C3)nc2)CC1 ZINC000408455370 160112138 /nfs/dbraw/zinc/11/21/38/160112138.db2.gz XYAJAVGQGSNNBA-UHFFFAOYSA-N 1 0 304.394 0.933 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000408465597 160114772 /nfs/dbraw/zinc/11/47/72/160114772.db2.gz JAAMLNROEPPRME-REWJHTLYSA-N 1 0 310.394 0.507 10 0 DCAERO 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PSMAOELXKLNUSY-KGLIPLIRSA-N 1 0 312.458 0.567 10 0 DCAERO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)O1 ZINC000245949085 287074843 /nfs/dbraw/zinc/07/48/43/287074843.db2.gz BWUBUIOZRDGPNI-AVGNSLFASA-N 1 0 312.414 0.016 10 0 DCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000246195403 287078846 /nfs/dbraw/zinc/07/88/46/287078846.db2.gz OIYLBPWKCSKTHB-AGIUHOORSA-N 1 0 305.444 0.414 10 0 DCAERO COCCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000246396258 287082582 /nfs/dbraw/zinc/08/25/82/287082582.db2.gz SUTJYYVLPRMVQD-QLFBSQMISA-N 1 0 324.469 0.974 10 0 DCAERO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CC2 ZINC000246524309 287084914 /nfs/dbraw/zinc/08/49/14/287084914.db2.gz VZGXZTQXYKCAHQ-KBPBESRZSA-N 1 0 318.425 0.781 10 0 DCAERO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2CO)CC1=O ZINC000246548452 287084985 /nfs/dbraw/zinc/08/49/85/287084985.db2.gz GTVOHWVYZMHCBD-BFHYXJOUSA-N 1 0 311.426 0.064 10 0 DCAERO 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/nfs/dbraw/zinc/11/36/08/287113608.db2.gz IYIAUYYPYLCXFI-UONOGXRCSA-N 1 0 312.385 0.564 10 0 DCAERO CCOCCN1CCN(S(=O)(=O)C[C@H](C)OC)C[C@@H]1C ZINC000249607360 287116343 /nfs/dbraw/zinc/11/63/43/287116343.db2.gz RMAWHYOGGWNMQC-STQMWFEESA-N 1 0 308.444 0.394 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358788507 287213578 /nfs/dbraw/zinc/21/35/78/287213578.db2.gz FMAAAQJFUBXOJK-CQSZACIVSA-N 1 0 313.442 0.805 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000245429870 287228107 /nfs/dbraw/zinc/22/81/07/287228107.db2.gz NHSZIKHESNCPDZ-TUAOUCFPSA-N 1 0 303.428 0.009 10 0 DCAERO CCCC[N@H+](CCO)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024941108 415159123 /nfs/dbraw/zinc/15/91/23/415159123.db2.gz WNEIWTCOVXZNKI-CYBMUJFWSA-N 1 0 320.389 0.738 10 0 DCAERO NS(=O)(=O)c1cccc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000037650114 415194113 /nfs/dbraw/zinc/19/41/13/415194113.db2.gz SOVQPVCAQYPPCT-UHFFFAOYSA-N 1 0 311.407 0.468 10 0 DCAERO CCOC(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000052593620 415319956 /nfs/dbraw/zinc/31/99/56/415319956.db2.gz UJFPURRUXFTBNB-CYBMUJFWSA-N 1 0 312.414 0.954 10 0 DCAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2csc(N)n2)C1 ZINC000072129572 415411417 /nfs/dbraw/zinc/41/14/17/415411417.db2.gz JRFVLXRAYYVBHL-AWEZNQCLSA-N 1 0 312.439 0.573 10 0 DCAERO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCCF)CC1 ZINC000080652008 415478832 /nfs/dbraw/zinc/47/88/32/415478832.db2.gz LMBFCEBHOXMEMI-AWEZNQCLSA-N 1 0 321.462 0.778 10 0 DCAERO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000333031003 415535460 /nfs/dbraw/zinc/53/54/60/415535460.db2.gz CFMLXOLBZMNMMH-RYSNWHEDSA-N 1 0 308.426 0.827 10 0 DCAERO CN1CCO[C@H](CN(CC2CC2)C(=O)CN2CCCC2=O)C1 ZINC000333077227 415547598 /nfs/dbraw/zinc/54/75/98/415547598.db2.gz WFSJDHWUVXKYDQ-AWEZNQCLSA-N 1 0 309.410 0.178 10 0 DCAERO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000333441608 415650357 /nfs/dbraw/zinc/65/03/57/415650357.db2.gz WEGHEQFFLZMYSY-VHSXEESVSA-N 1 0 322.331 0.591 10 0 DCAERO CC(C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)N1CCOCC1 ZINC000333345777 415617725 /nfs/dbraw/zinc/61/77/25/415617725.db2.gz ZFACPTLMHCKHKD-OAHLLOKOSA-N 1 0 324.469 0.881 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC000105818403 415638604 /nfs/dbraw/zinc/63/86/04/415638604.db2.gz SCKUKKVWAKAWBR-OAHLLOKOSA-N 1 0 321.425 0.277 10 0 DCAERO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333441611 415649316 /nfs/dbraw/zinc/64/93/16/415649316.db2.gz WEGHEQFFLZMYSY-ZJUUUORDSA-N 1 0 322.331 0.591 10 0 DCAERO C[N@@H+]1CCO[C@H]2CCN(c3nnnn3-c3ccccc3)C[C@H]21 ZINC000284392033 415597779 /nfs/dbraw/zinc/59/77/79/415597779.db2.gz AFHYDBVVSFQFSN-KGLIPLIRSA-N 1 0 300.366 0.572 10 0 DCAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000333475146 415660836 /nfs/dbraw/zinc/66/08/36/415660836.db2.gz BJLVIYDCNIBEOT-KFWWJZLASA-N 1 0 310.442 0.491 10 0 DCAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)n1 ZINC000107300341 415665178 /nfs/dbraw/zinc/66/51/78/415665178.db2.gz RMJDIDSGYFHZMS-ZDUSSCGKSA-N 1 0 312.439 0.673 10 0 DCAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110689985 415687554 /nfs/dbraw/zinc/68/75/54/415687554.db2.gz FTFGBKVPRKPKSK-LBPRGKRZSA-N 1 0 312.439 0.806 10 0 DCAERO CC(C)(C[NH2+]C[C@H](O)COCc1ccco1)NS(C)(=O)=O ZINC000111773177 415698741 /nfs/dbraw/zinc/69/87/41/415698741.db2.gz LSMPAZZVEBNOSJ-NSHDSACASA-N 1 0 320.411 0.075 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)CC1 ZINC000111867579 415701589 /nfs/dbraw/zinc/70/15/89/415701589.db2.gz DWIWMTSZPGZZDT-OAHLLOKOSA-N 1 0 310.442 0.587 10 0 DCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000333641891 415702344 /nfs/dbraw/zinc/70/23/44/415702344.db2.gz IJZNHFZSJUUGTA-KBPBESRZSA-N 1 0 307.398 0.436 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCN1C(=O)NC(C)(C)C1=O ZINC000113269158 415715734 /nfs/dbraw/zinc/71/57/34/415715734.db2.gz OHFYJRQPMQEODM-CHWSQXEVSA-N 1 0 308.426 0.875 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000119430018 415746412 /nfs/dbraw/zinc/74/64/12/415746412.db2.gz ZPVQHEASOVPRRX-CQSZACIVSA-N 1 0 320.393 0.556 10 0 DCAERO O=C(CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)NCC1CC1 ZINC000333828976 415746130 /nfs/dbraw/zinc/74/61/30/415746130.db2.gz SMRDOYITJIHGFF-AWEZNQCLSA-N 1 0 308.426 0.544 10 0 DCAERO CC(C)N(CC[NH+](C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000123398287 415843209 /nfs/dbraw/zinc/84/32/09/415843209.db2.gz XSAMACOSZQIBLW-BETUJISGSA-N 1 0 307.460 0.612 10 0 DCAERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C12CCCC2 ZINC000121179451 415797338 /nfs/dbraw/zinc/79/73/38/415797338.db2.gz PJMMZVALUACVNS-KBPBESRZSA-N 1 0 323.437 0.614 10 0 DCAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121182348 415798125 /nfs/dbraw/zinc/79/81/25/415798125.db2.gz XEMXBPJTCZRXEX-CQSZACIVSA-N 1 0 305.378 0.670 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)C1 ZINC000334122894 415811071 /nfs/dbraw/zinc/81/10/71/415811071.db2.gz MTBOCMGKRGDXRM-OLZOCXBDSA-N 1 0 322.413 0.470 10 0 DCAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCNC(=O)CC3)c2cc1C ZINC000126131569 415873447 /nfs/dbraw/zinc/87/34/47/415873447.db2.gz BTAQIHOFXFAMAH-CQSZACIVSA-N 1 0 316.405 0.836 10 0 DCAERO C[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)[NH+]1CCC(C)CC1 ZINC000128545840 415898609 /nfs/dbraw/zinc/89/86/09/415898609.db2.gz FBCNSFVHZIDZSW-LBPRGKRZSA-N 1 0 306.410 0.974 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000336914170 415859249 /nfs/dbraw/zinc/85/92/49/415859249.db2.gz KTIZZOBVLYFWPE-QJPTWQEYSA-N 1 0 303.428 0.298 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)cc(O)cc1=O ZINC000133129790 415941816 /nfs/dbraw/zinc/94/18/16/415941816.db2.gz RJMSKAJQTOMZJG-UONOGXRCSA-N 1 0 319.405 0.948 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000134131423 415953241 /nfs/dbraw/zinc/95/32/41/415953241.db2.gz GGQGPUIMDDBRAO-SNVBAGLBSA-N 1 0 317.411 0.648 10 0 DCAERO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000134052603 415953735 /nfs/dbraw/zinc/95/37/35/415953735.db2.gz CDPSNOOOCGVNFQ-UKRRQHHQSA-N 1 0 313.419 0.902 10 0 DCAERO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134784277 415958318 /nfs/dbraw/zinc/95/83/18/415958318.db2.gz LDZDZSBZAWFXND-CHWSQXEVSA-N 1 0 309.341 0.909 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)Cc2nnn(CC(F)(F)F)n2)[N@H+](C)C1 ZINC000345124614 416047910 /nfs/dbraw/zinc/04/79/10/416047910.db2.gz AQFZTWBRAFUYSX-UWVGGRQHSA-N 1 0 322.335 0.386 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)NC[C@@H]1CCC[C@H](O)C1 ZINC000173890917 416067532 /nfs/dbraw/zinc/06/75/32/416067532.db2.gz RYXLBBWXLNMTRZ-CABCVRRESA-N 1 0 313.442 0.949 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912032 416068850 /nfs/dbraw/zinc/06/88/50/416068850.db2.gz HQHJDWMBPNPVRY-KBPBESRZSA-N 1 0 324.469 0.386 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000170833762 416033572 /nfs/dbraw/zinc/03/35/72/416033572.db2.gz WIABDDGEAMZMEY-AWEZNQCLSA-N 1 0 322.384 0.901 10 0 DCAERO COCCNC(=O)c1ccc(N2CCC([NH+](C)C)CC2)nc1 ZINC000301241379 416079265 /nfs/dbraw/zinc/07/92/65/416079265.db2.gz OKSOLDBHBSEVIV-UHFFFAOYSA-N 1 0 306.410 0.988 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000174748019 416086653 /nfs/dbraw/zinc/08/66/53/416086653.db2.gz FQUNSBUWIVFEOE-HNNXBMFYSA-N 1 0 312.458 0.738 10 0 DCAERO O=CNc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000174869225 416088109 /nfs/dbraw/zinc/08/81/09/416088109.db2.gz UKKMBKRHFAUZMZ-OAHLLOKOSA-N 1 0 303.362 0.848 10 0 DCAERO CN1CCO[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000174880658 416090146 /nfs/dbraw/zinc/09/01/46/416090146.db2.gz IEWMRQVSNQSPOH-OAHLLOKOSA-N 1 0 309.385 0.834 10 0 DCAERO Cc1cnn(CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000175039083 416094181 /nfs/dbraw/zinc/09/41/81/416094181.db2.gz VKSGGHUIETUQDA-AWEZNQCLSA-N 1 0 322.457 0.374 10 0 DCAERO CCOC(=O)CN(C)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000175044372 416096141 /nfs/dbraw/zinc/09/61/41/416096141.db2.gz OBHXUJYYYPNHLM-ZIAGYGMSSA-N 1 0 311.426 0.567 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000178013636 416155912 /nfs/dbraw/zinc/15/59/12/416155912.db2.gz DTFBILUSPATBOZ-FRRDWIJNSA-N 1 0 312.414 0.193 10 0 DCAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000176445022 416124965 /nfs/dbraw/zinc/12/49/65/416124965.db2.gz SHXNAHTZBQOPNG-LLVKDONJSA-N 1 0 301.350 0.927 10 0 DCAERO C1=CC[NH+]([C@@H]2CCN(c3nccc(N[C@@H]4CCCOC4)n3)C2)C1 ZINC000328656179 416126051 /nfs/dbraw/zinc/12/60/51/416126051.db2.gz ZBSVWGHJTPTUFM-HUUCEWRRSA-N 1 0 315.421 1.518 10 0 DCAERO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178162460 416157363 /nfs/dbraw/zinc/15/73/63/416157363.db2.gz XVRSVDNCUCNZTD-NWDGAFQWSA-N 1 0 303.366 0.069 10 0 DCAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000329189361 416155089 /nfs/dbraw/zinc/15/50/89/416155089.db2.gz QRIOBULOCMXEJU-OLZOCXBDSA-N 1 0 305.382 0.579 10 0 DCAERO C[C@@H](CS(C)(=O)=O)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178689879 416169608 /nfs/dbraw/zinc/16/96/08/416169608.db2.gz IVLYDBFFFAZJBZ-HIFPTAJRSA-N 1 0 319.471 0.839 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000178800765 416172656 /nfs/dbraw/zinc/17/26/56/416172656.db2.gz VGYMRYHCHJYJEN-UHFFFAOYSA-N 1 0 307.398 0.784 10 0 DCAERO CN1C(=O)N(CC(=O)NC[C@H]2CCC[NH2+]2)C(=O)C12CCCCC2 ZINC000178767939 416172850 /nfs/dbraw/zinc/17/28/50/416172850.db2.gz IAFYWRUFQMMJRT-GFCCVEGCSA-N 1 0 322.409 0.452 10 0 DCAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000178922913 416177462 /nfs/dbraw/zinc/17/74/62/416177462.db2.gz DFKUYESPLKTEOG-SNVBAGLBSA-N 1 0 311.407 0.533 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000178932696 416177595 /nfs/dbraw/zinc/17/75/95/416177595.db2.gz PJJMFCZMNPTCAP-UHFFFAOYSA-N 1 0 317.393 0.674 10 0 DCAERO NC(=O)N[C@@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358053711 416180020 /nfs/dbraw/zinc/18/00/20/416180020.db2.gz AJDMNOVJRJMUQZ-CYBMUJFWSA-N 1 0 318.377 0.118 10 0 DCAERO CC[N@H+](CC(=O)NCc1cccnc1-n1cncn1)C1CC1 ZINC000179156971 416182167 /nfs/dbraw/zinc/18/21/67/416182167.db2.gz OPZBERKBEBQWNU-UHFFFAOYSA-N 1 0 300.366 0.763 10 0 DCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000358060332 416183258 /nfs/dbraw/zinc/18/32/58/416183258.db2.gz FJZSJPXDWBJMEF-QGZVFWFLSA-N 1 0 302.374 0.541 10 0 DCAERO Cc1cn2c(ncc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2=O)s1 ZINC000179923890 416193292 /nfs/dbraw/zinc/19/32/92/416193292.db2.gz MLGNUSLLQPPQKG-NSHDSACASA-N 1 0 318.402 0.985 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccn(C)n2)C1 ZINC000179900532 416194568 /nfs/dbraw/zinc/19/45/68/416194568.db2.gz SXFJLHPVQQSENI-ZDUSSCGKSA-N 1 0 309.414 0.305 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)NCC1CC1 ZINC000181611427 416210002 /nfs/dbraw/zinc/21/00/02/416210002.db2.gz SKSAWVVMZITQSO-CQSZACIVSA-N 1 0 310.442 0.932 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000182075520 416212821 /nfs/dbraw/zinc/21/28/21/416212821.db2.gz BMQQVMLUARXJCJ-UONOGXRCSA-N 1 0 306.410 0.143 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000182955827 416234829 /nfs/dbraw/zinc/23/48/29/416234829.db2.gz KJKWYMBLQAIFRK-NSHDSACASA-N 1 0 308.382 0.170 10 0 DCAERO C[C@H](CN1CCOCC1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182889275 416232155 /nfs/dbraw/zinc/23/21/55/416232155.db2.gz FHYOBYAQPASRBJ-MSOLQXFVSA-N 1 0 324.513 0.809 10 0 DCAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358462497 416240948 /nfs/dbraw/zinc/24/09/48/416240948.db2.gz RGOANGYBIYVZPF-MRXNPFEDSA-N 1 0 320.393 0.857 10 0 DCAERO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000185932184 416253927 /nfs/dbraw/zinc/25/39/27/416253927.db2.gz YDOCREMIQCHRHK-KCQAQPDRSA-N 1 0 300.399 0.273 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186280356 416256253 /nfs/dbraw/zinc/25/62/53/416256253.db2.gz NZQATKULDWPZIO-KRWDZBQOSA-N 1 0 313.401 0.996 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000186958775 416258570 /nfs/dbraw/zinc/25/85/70/416258570.db2.gz VTEPJPLOZJVKPW-ZDUSSCGKSA-N 1 0 321.421 0.936 10 0 DCAERO Cc1cc(N2CC[NH+](CCC(=O)N3CCOCC3)CC2)n[nH]1 ZINC000187225147 416261150 /nfs/dbraw/zinc/26/11/50/416261150.db2.gz DMWFJBOWHKSAIJ-UHFFFAOYSA-N 1 0 307.398 0.089 10 0 DCAERO Cc1cc(C)n2c(CN3CC[NH+](C[C@H](C)O)CC3)cnc2n1 ZINC000189838908 416271680 /nfs/dbraw/zinc/27/16/80/416271680.db2.gz FDWZIZAVEXFGQK-AWEZNQCLSA-N 1 0 303.410 0.845 10 0 DCAERO CCn1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000191989357 416295287 /nfs/dbraw/zinc/29/52/87/416295287.db2.gz LLGOEPIEGVWGNA-CQSZACIVSA-N 1 0 324.425 0.755 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CC[N@@H+]4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000247243291 416332538 /nfs/dbraw/zinc/33/25/38/416332538.db2.gz DOCINZLLLLYMGC-UONOGXRCSA-N 1 0 303.410 0.614 10 0 DCAERO [NH3+]CC1(C(=O)NC[C@@H]2CCCN2c2cccnn2)CCOCC1 ZINC000262363716 416336836 /nfs/dbraw/zinc/33/68/36/416336836.db2.gz VKTJMPOQMPNDON-ZDUSSCGKSA-N 1 0 319.409 0.317 10 0 DCAERO CC(C)[NH+](CCCNC(=O)C(=O)N(C)CCCO)C(C)C ZINC000359384735 416344671 /nfs/dbraw/zinc/34/46/71/416344671.db2.gz GXTSHKPTUFPTOP-UHFFFAOYSA-N 1 0 301.431 0.452 10 0 DCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000195179665 416325430 /nfs/dbraw/zinc/32/54/30/416325430.db2.gz UGQDVHDWZZWISA-CVEARBPZSA-N 1 0 300.443 0.961 10 0 DCAERO COCCCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000195202728 416325573 /nfs/dbraw/zinc/32/55/73/416325573.db2.gz CEMWYELUWIVVLM-CQSZACIVSA-N 1 0 301.431 0.949 10 0 DCAERO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)CN2CCCC2=O)C[C@H](C)O1 ZINC000195311651 416325750 /nfs/dbraw/zinc/32/57/50/416325750.db2.gz AXCYKONLHRANED-QLFBSQMISA-N 1 0 313.442 0.011 10 0 DCAERO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195311383 416325811 /nfs/dbraw/zinc/32/58/11/416325811.db2.gz PHGUSEMJJCRXNX-GFCCVEGCSA-N 1 0 320.393 0.158 10 0 DCAERO Cc1nc(C[C@H]2CCCN(CC(=O)NC(=O)NC3CC3)C2)no1 ZINC000195517843 416326593 /nfs/dbraw/zinc/32/65/93/416326593.db2.gz BHLCMFLJSBRNIS-LLVKDONJSA-N 1 0 321.381 0.621 10 0 DCAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000237882591 416328834 /nfs/dbraw/zinc/32/88/34/416328834.db2.gz YXTQARBZIHRBQU-NEPJUHHUSA-N 1 0 316.361 0.804 10 0 DCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000246198876 416331671 /nfs/dbraw/zinc/33/16/71/416331671.db2.gz XPIJMIRBEUIUIN-IRXDYDNUSA-N 1 0 311.470 0.894 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCS1(=O)=O ZINC000246200325 416331687 /nfs/dbraw/zinc/33/16/87/416331687.db2.gz BACPOGHUGKTCQI-FRRDWIJNSA-N 1 0 317.455 0.688 10 0 DCAERO Cc1cc(C[C@@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH]n1 ZINC000458545106 416479169 /nfs/dbraw/zinc/47/91/69/416479169.db2.gz FTPBDNQIHFQQME-BNOWGMLFSA-N 1 0 323.441 0.746 10 0 DCAERO Cc1nccnc1CCNC(=O)NCCNc1cc[nH+]cc1 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0.223 10 0 DCAERO Cc1nc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)sc1C ZINC000631924591 416805333 /nfs/dbraw/zinc/80/53/33/416805333.db2.gz YXGVMWKHCIAXRE-SNVBAGLBSA-N 1 0 305.425 0.168 10 0 DCAERO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000446785357 416948215 /nfs/dbraw/zinc/94/82/15/416948215.db2.gz PJNPPLZWQYJGOX-STQMWFEESA-N 1 0 301.383 0.428 10 0 DCAERO Cc1noc([C@H]2C[C@H](O)CN2C(=O)NCC2([NH+](C)C)CCC2)n1 ZINC000447835020 417032292 /nfs/dbraw/zinc/03/22/92/417032292.db2.gz SLCVFJPQLBPHCN-NWDGAFQWSA-N 1 0 323.397 0.680 10 0 DCAERO Ic1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000385343605 417090259 /nfs/dbraw/zinc/09/02/59/417090259.db2.gz YQVYBWQRGCVPLY-APPZFPTMSA-N 1 0 316.146 0.879 10 0 DCAERO CC(=O)c1cn(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000448932517 417110251 /nfs/dbraw/zinc/11/02/51/417110251.db2.gz JOMXLDYFEUQOIX-RYUDHWBXSA-N 1 0 307.398 0.860 10 0 DCAERO CCN1C[C@H](C)N(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@@H]1C ZINC000408041543 417137023 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304.350 0.656 10 0 DCAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1-c1ccc(F)cc1 ZINC000262337452 545983570 /nfs/dbraw/zinc/98/35/70/545983570.db2.gz SSRJVYFDVBXIPQ-IAQYHMDHSA-N 1 0 318.352 0.630 10 0 DCAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262380886 545985284 /nfs/dbraw/zinc/98/52/84/545985284.db2.gz XAMNKTMOFLXLEQ-GXFFZTMASA-N 1 0 301.346 0.559 10 0 DCAERO CC(=O)N1CCc2cc(NC(=O)COC3(C)C[NH2+]C3)ccc21 ZINC000317769957 546028742 /nfs/dbraw/zinc/02/87/42/546028742.db2.gz BFZMJQHQFJSMCM-UHFFFAOYSA-N 1 0 303.362 0.913 10 0 DCAERO COc1cccc(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000332774295 546059960 /nfs/dbraw/zinc/05/99/60/546059960.db2.gz QHFFIJBDZMSKSO-UONOGXRCSA-N 1 0 320.393 0.705 10 0 DCAERO O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332793519 546061468 /nfs/dbraw/zinc/06/14/68/546061468.db2.gz OMNLSZVJDFDSFL-XDQVBPFNSA-N 1 0 320.397 0.144 10 0 DCAERO O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333943003 546096183 /nfs/dbraw/zinc/09/61/83/546096183.db2.gz QNGZOXBXVRMSIJ-UONOGXRCSA-N 1 0 318.425 0.887 10 0 DCAERO CC(C)[C@H](C)C(=O)NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073316 547658830 /nfs/dbraw/zinc/65/88/30/547658830.db2.gz MOUZDVUYSGLBKO-SCRDCRAPSA-N 1 0 302.440 0.562 10 0 DCAERO CC(C)(C)OC(=O)N1CCN[C@H](c2cnnn2C2C[NH2+]C2)C1 ZINC000685952020 548748892 /nfs/dbraw/zinc/74/88/92/548748892.db2.gz PDDWHOXTBKKDHL-NSHDSACASA-N 1 0 308.386 0.304 10 0 DCAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697627 660516318 /nfs/dbraw/zinc/51/63/18/660516318.db2.gz HJKPGPKYIZQTOD-KBPBESRZSA-N 1 0 303.472 0.732 10 0 DCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC000888095261 661165833 /nfs/dbraw/zinc/16/58/33/661165833.db2.gz SZPKIOLJGPRDAB-KFZJALRRSA-N 1 0 320.437 0.938 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000178555218 661263238 /nfs/dbraw/zinc/26/32/38/661263238.db2.gz QUFKDDZWRUANTE-WXJAXGNASA-N 1 0 323.418 0.879 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc(F)c1F ZINC000178915569 657577781 /nfs/dbraw/zinc/57/77/81/657577781.db2.gz WSSITRRZIBDFBZ-SSDOTTSWSA-N 1 0 322.333 0.767 10 0 DCAERO O=S(=O)(N[C@H](C1CC1)[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000723969502 657777877 /nfs/dbraw/zinc/77/78/77/657777877.db2.gz QZYFYHAZHCPOOE-BFHYXJOUSA-N 1 0 302.440 0.863 10 0 DCAERO CC[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000723999532 657827791 /nfs/dbraw/zinc/82/77/91/657827791.db2.gz NMYSUFSDDIEEAV-AGIUHOORSA-N 1 0 306.428 0.099 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342791831 657916174 /nfs/dbraw/zinc/91/61/74/657916174.db2.gz UZYMPEILFCQRCC-PIGZVRMJSA-N 1 0 311.451 0.991 10 0 DCAERO Cc1nsc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000250839841 665589743 /nfs/dbraw/zinc/58/97/43/665589743.db2.gz RQACOMHUUTUDEE-VXGBXAGGSA-N 1 0 309.439 0.931 10 0 DCAERO CCn1cnc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000092910537 659536473 /nfs/dbraw/zinc/53/64/73/659536473.db2.gz VGINZOWCMYIBGB-UHFFFAOYSA-N 1 0 308.407 0.883 10 0 DCAERO CC(=O)N1CCN(C(=O)CC[NH2+]CCc2ccccc2)CC1 ZINC000243679212 659697288 /nfs/dbraw/zinc/69/72/88/659697288.db2.gz PFTZCJUEZCMZGK-UHFFFAOYSA-N 1 0 303.406 0.900 10 0 DCAERO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261653398 661349638 /nfs/dbraw/zinc/34/96/38/661349638.db2.gz FFOLRDKHLMGKFL-CYBMUJFWSA-N 1 0 311.426 0.457 10 0 DCAERO COC[C@@H]1C[C@H](OC)C[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000328929368 661428115 /nfs/dbraw/zinc/42/81/15/661428115.db2.gz HALJELMGKPLWCI-SOUVJXGZSA-N 1 0 312.410 0.502 10 0 DCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)O1 ZINC000248865442 661534287 /nfs/dbraw/zinc/53/42/87/661534287.db2.gz AWYYEEJYHJKSAN-DGAVXFQQSA-N 1 0 310.394 0.650 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000338678889 661757101 /nfs/dbraw/zinc/75/71/01/661757101.db2.gz YVDGWPGMTZUUPW-ZIAGYGMSSA-N 1 0 311.451 0.995 10 0 DCAERO COc1cc(CO)ccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000908096882 663733197 /nfs/dbraw/zinc/73/31/97/663733197.db2.gz NVYBNTBZDZIAKV-CABCVRRESA-N 1 0 320.389 0.733 10 0 DCAERO C/C=C/[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000908108489 663734078 /nfs/dbraw/zinc/73/40/78/663734078.db2.gz WUEFJRIEYOPHFI-GNGAWQMMSA-N 1 0 306.410 0.856 10 0 DCAERO Cc1cc2c(nc(N3CCOCC3)nc2N2CC[NH+](C)CC2)[nH]1 ZINC000223947798 664428311 /nfs/dbraw/zinc/42/83/11/664428311.db2.gz FVVZKDHNRHAQBL-UHFFFAOYSA-N 1 0 316.409 0.855 10 0 DCAERO CC[C@H]1CN(CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC000171573029 664610250 /nfs/dbraw/zinc/61/02/50/664610250.db2.gz SDIOPBDYLRSABV-CABCVRRESA-N 1 0 313.442 0.276 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452171741 666239363 /nfs/dbraw/zinc/23/93/63/666239363.db2.gz RQPBCHFMSDMKIC-FZMZJTMJSA-N 1 0 311.451 0.851 10 0 DCAERO CC(C)C[C@H](O)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702402385 666954603 /nfs/dbraw/zinc/95/46/03/666954603.db2.gz LCOBJOXKRQINCA-HOTGVXAUSA-N 1 0 307.438 0.969 10 0 DCAERO CN(Cc1cnccn1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735582328 667007914 /nfs/dbraw/zinc/00/79/14/667007914.db2.gz XIMDSBZAIGOEEM-UONOGXRCSA-N 1 0 305.382 0.481 10 0 DCAERO CN(Cc1cnccn1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735582326 667008475 /nfs/dbraw/zinc/00/84/75/667008475.db2.gz XIMDSBZAIGOEEM-KBPBESRZSA-N 1 0 305.382 0.481 10 0 DCAERO Cc1ccnc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1 ZINC000862937804 667096606 /nfs/dbraw/zinc/09/66/06/667096606.db2.gz HHSFULAKEKKDQU-NEPJUHHUSA-N 1 0 301.354 0.004 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708201180 667442379 /nfs/dbraw/zinc/44/23/79/667442379.db2.gz FLWHRBYWUXXBAY-RYUDHWBXSA-N 1 0 300.424 0.996 10 0 DCAERO C[C@@H]1CN(C(=O)c2cnn(C)c2Br)C[C@H]1C[NH3+] ZINC000708842798 667443869 /nfs/dbraw/zinc/44/38/69/667443869.db2.gz HOJWIYNWNNPJRR-HTQZYQBOSA-N 1 0 301.188 0.849 10 0 DCAERO COC[C@@]1(C(=O)N(C)CCOCc2ccccc2)C[NH2+]CCO1 ZINC000710726572 667446093 /nfs/dbraw/zinc/44/60/93/667446093.db2.gz QVCJYZBLBMRHBX-QGZVFWFLSA-N 1 0 322.405 0.667 10 0 DCAERO CN(CCCCCC[NH3+])C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000710803600 667446288 /nfs/dbraw/zinc/44/62/88/667446288.db2.gz ISINZWWYMPZUTE-LBPRGKRZSA-N 1 0 322.496 0.884 10 0 DCAERO COC[C@]1(C(=O)NCCOCc2ccccc2)C[NH2+]CCO1 ZINC000710851144 667446612 /nfs/dbraw/zinc/44/66/12/667446612.db2.gz KDSUXVAFAFXPMQ-INIZCTEOSA-N 1 0 308.378 0.324 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711627078 667512340 /nfs/dbraw/zinc/51/23/40/667512340.db2.gz UOXQGQKIBQHFKU-ONGXEEELSA-N 1 0 304.803 0.636 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711627068 667512362 /nfs/dbraw/zinc/51/23/62/667512362.db2.gz UOXQGQKIBQHFKU-KOLCDFICSA-N 1 0 304.803 0.636 10 0 DCAERO CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC000886082444 667730097 /nfs/dbraw/zinc/73/00/97/667730097.db2.gz BLATWZLZHWYBCY-KFWWJZLASA-N 1 0 311.426 0.077 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000742098302 667780067 /nfs/dbraw/zinc/78/00/67/667780067.db2.gz JGUQUNOCEQWJLD-UHFFFAOYSA-N 1 0 322.409 0.165 10 0 DCAERO C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000746309558 667871780 /nfs/dbraw/zinc/87/17/80/667871780.db2.gz MLCPAZBPYLKYDX-LLVKDONJSA-N 1 0 321.343 0.998 10 0 DCAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](CO)C2CCC2)o1 ZINC000717616149 667873573 /nfs/dbraw/zinc/87/35/73/667873573.db2.gz VQBFRCHYVYQUPL-LBPRGKRZSA-N 1 0 302.396 0.781 10 0 DCAERO CN(CCN1CC[NH2+]CC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000214398801 669656324 /nfs/dbraw/zinc/65/63/24/669656324.db2.gz YSSOSCZVMHJSQZ-AUWJEWJLSA-N 1 0 309.435 0.824 10 0 DCAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000794311059 669820116 /nfs/dbraw/zinc/82/01/16/669820116.db2.gz AOCWOOVSKDVREK-TYNCELHUSA-N 1 0 320.397 0.034 10 0 DCAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(C)OCCCO1 ZINC000192248137 670143623 /nfs/dbraw/zinc/14/36/23/670143623.db2.gz NHYWSRXBPCNDCO-UHFFFAOYSA-N 1 0 324.425 0.808 10 0 DCAERO CCO[C@@H]1CN(Cc2cn(C)nc2Br)C[C@H]1C[NH3+] ZINC000712437263 670148948 /nfs/dbraw/zinc/14/89/48/670148948.db2.gz WJVPDWXQFDIOCG-MWLCHTKSSA-N 1 0 317.231 0.978 10 0 DCAERO Cn1cc(CNC[C@](C)(O)C[NH+](C)C)c(Br)n1 ZINC000712495813 670149388 /nfs/dbraw/zinc/14/93/88/670149388.db2.gz JFHCHKCHDJMHPG-NSHDSACASA-N 1 0 305.220 0.585 10 0 DCAERO COCC1CC(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000713995416 670173337 /nfs/dbraw/zinc/17/33/37/670173337.db2.gz IBAFDWJSGYLYSC-UYSNPLJNSA-N 1 0 305.422 0.987 10 0 DCAERO O=C1C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CN1CC1CC1 ZINC000716790874 670272816 /nfs/dbraw/zinc/27/28/16/670272816.db2.gz CGBKPPJKFZUDDP-CHWSQXEVSA-N 1 0 300.424 0.554 10 0 DCAERO CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193408954 670279479 /nfs/dbraw/zinc/27/94/79/670279479.db2.gz TYLOYDGBWMMQFY-VXGBXAGGSA-N 1 0 300.428 0.815 10 0 DCAERO COCc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000193665851 670326360 /nfs/dbraw/zinc/32/63/60/670326360.db2.gz LPCQINCXDOHMBX-LBPRGKRZSA-N 1 0 323.393 0.886 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)c1ccn(CC(F)F)n1 ZINC000193825650 670361892 /nfs/dbraw/zinc/36/18/92/670361892.db2.gz GCNGRJAYNBJMSH-UHFFFAOYSA-N 1 0 316.352 0.990 10 0 DCAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(CN3CCCC3=O)CC2)C1 ZINC000117325449 671192906 /nfs/dbraw/zinc/19/29/06/671192906.db2.gz ZYDXCGKSOZHXEC-MRXNPFEDSA-N 1 0 324.469 0.293 10 0 DCAERO COCC[N@@H+]1CCN(CN2CC(=O)N(C(C)C)C2=O)C[C@H]1C ZINC000117322562 671192918 /nfs/dbraw/zinc/19/29/18/671192918.db2.gz JTQMVUCBVPRVIV-CYBMUJFWSA-N 1 0 312.414 0.269 10 0 DCAERO COCCCS(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720804863 685315768 /nfs/dbraw/zinc/31/57/68/685315768.db2.gz KLVBMMZYRAEVKF-IUCAKERBSA-N 1 0 304.334 0.422 10 0 DCAERO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720879644 685316512 /nfs/dbraw/zinc/31/65/12/685316512.db2.gz MBOXSYMNWGVBBJ-RRKCRQDMSA-N 1 0 307.238 0.875 10 0 DCAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000720792798 685314956 /nfs/dbraw/zinc/31/49/56/685314956.db2.gz FFXASWNWWQYAFM-PRJMDXOYSA-N 1 0 302.318 0.015 10 0 DCAERO CCCn1nccc1C[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000721231696 685318400 /nfs/dbraw/zinc/31/84/00/685318400.db2.gz WUTJIIHNMMXNGG-CYBMUJFWSA-N 1 0 301.412 0.586 10 0 DCAERO CCCN1C(=O)C(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000247196750 685170555 /nfs/dbraw/zinc/17/05/55/685170555.db2.gz VUCNYZGAAKYNDU-VXGBXAGGSA-N 1 0 308.382 0.313 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000249270944 685179064 /nfs/dbraw/zinc/17/90/64/685179064.db2.gz JKSXECHWDVCVEZ-VXGBXAGGSA-N 1 0 321.368 0.773 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CSCN1C(C)=O ZINC000253548914 685187668 /nfs/dbraw/zinc/18/76/68/685187668.db2.gz LUMLFNZBIMSZBB-HZSPNIEDSA-N 1 0 311.451 0.993 10 0 DCAERO CN1CC[N@H+](C)C[C@@H]1CNCc1nc(Br)c[nH]1 ZINC000379756339 685235506 /nfs/dbraw/zinc/23/55/06/685235506.db2.gz BFESCALAKUCFNM-VIFPVBQESA-N 1 0 302.220 0.508 10 0 DCAERO CCS(=O)(=O)NCC[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC000085937117 1175042231 /nfs/dbraw/zinc/04/22/31/1175042231.db2.gz BKSZMJGAJVOYEW-UHFFFAOYSA-N 1 0 317.455 0.354 10 0 DCAERO COC(CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)OC ZINC000096781027 1175898183 /nfs/dbraw/zinc/89/81/83/1175898183.db2.gz WVTPINKIUJIWFR-UHFFFAOYSA-N 1 0 308.382 0.182 10 0 DCAERO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCCCOC(C)C)C1 ZINC000156608104 1180557880 /nfs/dbraw/zinc/55/78/80/1180557880.db2.gz JMOIJKAVGICWMB-HNNXBMFYSA-N 1 0 313.442 0.718 10 0 DCAERO OC[C@H](O)CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404219748 774126769 /nfs/dbraw/zinc/12/67/69/774126769.db2.gz WPGIQBKMYPQYCI-IKGGRYGDSA-N 1 0 306.406 0.315 10 0 DCAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)CC2 ZINC000261841393 282125734 /nfs/dbraw/zinc/12/57/34/282125734.db2.gz AJKIMEYMRPNRAB-KBUPBQIOSA-N 1 0 305.426 0.648 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000174642737 529375380 /nfs/dbraw/zinc/37/53/80/529375380.db2.gz FKKRFKTWIGWNPB-MGPQQGTHSA-N 1 0 311.426 0.158 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000092331701 282217693 /nfs/dbraw/zinc/21/76/93/282217693.db2.gz PHFHVSQIVATJSJ-CRWXNKLISA-N 1 0 308.426 0.922 10 0 DCAERO COc1cccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1F ZINC000090170251 185284634 /nfs/dbraw/zinc/28/46/34/185284634.db2.gz UTIGQNQCFMPMBX-UHFFFAOYSA-N 1 0 323.368 0.680 10 0 DCAERO C[NH+]1CCN(CCNc2ncncc2Br)CC1 ZINC000090780826 185311818 /nfs/dbraw/zinc/31/18/18/185311818.db2.gz QORLCXKLPCYYKW-UHFFFAOYSA-N 1 0 300.204 0.898 10 0 DCAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181564097 199318151 /nfs/dbraw/zinc/31/81/51/199318151.db2.gz DAKHSXMYNWIDHU-GHMZBOCLSA-N 1 0 313.423 0.899 10 0 DCAERO NC(=O)NC(=O)COc1ccc(C[NH3+])cc1Br ZINC000070580006 190908447 /nfs/dbraw/zinc/90/84/47/190908447.db2.gz QETKEGIBFFODPL-UHFFFAOYSA-N 1 0 302.128 0.482 10 0 DCAERO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2cnc[nH]2)cc1 ZINC000072321564 191120416 /nfs/dbraw/zinc/12/04/16/191120416.db2.gz ZDBVGJPQCWSGKU-KLHDSHLOSA-N 1 0 303.362 0.786 10 0 DCAERO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171940451 198011823 /nfs/dbraw/zinc/01/18/23/198011823.db2.gz PQDFKTBQCOICLO-HZPDHXFCSA-N 1 0 314.389 0.981 10 0 DCAERO Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000172598135 198120967 /nfs/dbraw/zinc/12/09/67/198120967.db2.gz OTDXKSHGFHZTCW-GXTWGEPZSA-N 1 0 323.441 0.936 10 0 DCAERO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccon2)ncn1 ZINC000173410874 198211828 /nfs/dbraw/zinc/21/18/28/198211828.db2.gz HPRBROOMUFBEAY-SNVBAGLBSA-N 1 0 302.338 0.905 10 0 DCAERO O=C(CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)NC1CC1 ZINC000173974062 198274678 /nfs/dbraw/zinc/27/46/78/198274678.db2.gz FFLFNGCVULPZNC-AWEZNQCLSA-N 1 0 306.410 0.701 10 0 DCAERO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4ncnn4C3)C2=O)n1 ZINC000174085273 198288934 /nfs/dbraw/zinc/28/89/34/198288934.db2.gz VQIZYQIWHMMHCV-NWDGAFQWSA-N 1 0 315.381 0.112 10 0 DCAERO COc1ccc(-c2nc(CN3CC[C@H]([NH3+])C3)cc(=O)[nH]2)cc1 ZINC000073696073 191342702 /nfs/dbraw/zinc/34/27/02/191342702.db2.gz HEHJDHONXMHEKK-LBPRGKRZSA-N 1 0 300.362 0.979 10 0 DCAERO CN(C)S(=O)(=O)c1ccc2nc(N3CC[NH2+]CC3)cnc2c1 ZINC000073737564 191349430 /nfs/dbraw/zinc/34/94/30/191349430.db2.gz FZLATUHHTAFIDV-UHFFFAOYSA-N 1 0 321.406 0.290 10 0 DCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237912633 283332583 /nfs/dbraw/zinc/33/25/83/283332583.db2.gz NYAVYXATMLUTDF-GJZGRUSLSA-N 1 0 313.401 0.815 10 0 DCAERO [NH3+]C1(C(=O)NCCN2C(=O)Cc3ccccc32)CCOCC1 ZINC000261777597 283400363 /nfs/dbraw/zinc/40/03/63/283400363.db2.gz HBJQAENVGKHYCO-UHFFFAOYSA-N 1 0 303.362 0.200 10 0 DCAERO O=c1cc(CN2CC[C@](O)(C(F)(F)F)C2)nc2cc[n-]n21 ZINC000177277776 237210212 /nfs/dbraw/zinc/21/02/12/237210212.db2.gz UBQVAMGRWCGQFM-LLVKDONJSA-N 1 0 302.256 0.522 10 0 DCAERO COc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000187140702 200067290 /nfs/dbraw/zinc/06/72/90/200067290.db2.gz SNFWORFYXMFFLK-CHWSQXEVSA-N 1 0 307.394 0.546 10 0 DCAERO COC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)C1CCOCC1 ZINC000188224064 237367780 /nfs/dbraw/zinc/36/77/80/237367780.db2.gz KIRLIRHRKPWBFQ-ZDUSSCGKSA-N 1 0 305.440 0.842 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000161936360 291242735 /nfs/dbraw/zinc/24/27/35/291242735.db2.gz OLJIYKAEDUVRNR-LBPRGKRZSA-N 1 0 324.425 0.411 10 0 DCAERO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@](F)(CO)C1 ZINC000376412598 296109335 /nfs/dbraw/zinc/10/93/35/296109335.db2.gz INCYXENHNURABZ-GDBMZVCRSA-N 1 0 314.401 0.953 10 0 DCAERO C[C@@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000220687500 201579187 /nfs/dbraw/zinc/57/91/87/201579187.db2.gz XLDXOLXYCSCILX-CBBWQLFWSA-N 1 0 319.467 0.967 10 0 DCAERO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091310532 296121391 /nfs/dbraw/zinc/12/13/91/296121391.db2.gz UXKFGBHXSIRDSS-LLVKDONJSA-N 1 0 313.423 0.853 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000568619497 291437109 /nfs/dbraw/zinc/43/71/09/291437109.db2.gz CRONKEXCVVQHGO-LSDHHAIUSA-N 1 0 320.389 0.839 10 0 DCAERO O=C(N[C@@H]1CCc2ccccc2C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333856964 284108519 /nfs/dbraw/zinc/10/85/19/284108519.db2.gz YMGYFGJSYZCWNM-OAHLLOKOSA-N 1 0 301.390 0.928 10 0 DCAERO C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)C[C@H]1[NH+](C)C ZINC000274965955 212046620 /nfs/dbraw/zinc/04/66/20/212046620.db2.gz XGPLUGNSNHUWNJ-CHWSQXEVSA-N 1 0 318.425 0.141 10 0 DCAERO O=C(Nc1ccc(-n2cccn2)nc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188709507 284294903 /nfs/dbraw/zinc/29/49/03/284294903.db2.gz VQHLUSJLESBWCH-UHFFFAOYSA-N 1 0 309.333 0.888 10 0 DCAERO CCN1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2OC)CC1 ZINC000020189680 182195495 /nfs/dbraw/zinc/19/54/95/182195495.db2.gz DTMCCDXXYCGSQU-UHFFFAOYSA-N 1 0 313.423 0.480 10 0 DCAERO 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ZINC000262060689 220464352 /nfs/dbraw/zinc/46/43/52/220464352.db2.gz AUYINPQLPAEEEJ-IINYFYTJSA-N 1 0 304.325 0.322 10 0 DCAERO Cn1cc(C[N@@H+]2C[C@@H]3OCC[C@@H]3[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000248165786 257107369 /nfs/dbraw/zinc/10/73/69/257107369.db2.gz ZUHJMEDGILAKIA-OAGGEKHMSA-N 1 0 318.421 0.879 10 0 DCAERO Cc1cccc(C[N@H+]2C[C@H]3OCCN(CC(=O)N(C)C)[C@H]3C2)c1 ZINC000248030544 257111229 /nfs/dbraw/zinc/11/12/29/257111229.db2.gz TUMQZEJINDWXJH-DLBZAZTESA-N 1 0 317.433 0.968 10 0 DCAERO CN(C)C(=O)COC[C@@H]1CCOC12C[NH+](C1CCOCC1)C2 ZINC000247972397 257112922 /nfs/dbraw/zinc/11/29/22/257112922.db2.gz HWZBYVYHQGJVEP-ZDUSSCGKSA-N 1 0 312.410 0.361 10 0 DCAERO COCC[N@@H+]1C[C@@H]2OCC[C@@H]2[C@@H](C(=O)NCc2ccco2)C1 ZINC000247889851 257115366 /nfs/dbraw/zinc/11/53/66/257115366.db2.gz SVBHFMZALVIMNR-ILXRZTDVSA-N 1 0 308.378 0.879 10 0 DCAERO O=C([C@@H]1COC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21)N1CCCCO1 ZINC000247796070 257116961 /nfs/dbraw/zinc/11/69/61/257116961.db2.gz ROXOMTOWCWBGKY-CWRNSKLLSA-N 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/nfs/dbraw/zinc/73/84/11/395738411.db2.gz ZDRBEMTXWLTOPY-AWEZNQCLSA-N 1 0 323.368 0.727 10 0 DCAERO CC[NH+]1CCC(NC(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000044019724 395755035 /nfs/dbraw/zinc/75/50/35/395755035.db2.gz MMWMDDZUGLLSRI-UHFFFAOYSA-N 1 0 314.389 0.997 10 0 DCAERO COCCN1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1C ZINC000105902945 395781122 /nfs/dbraw/zinc/78/11/22/395781122.db2.gz OZPXWHXXHRMXNA-PMPSAXMXSA-N 1 0 316.442 0.195 10 0 DCAERO Cn1nccc1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000046942032 395782985 /nfs/dbraw/zinc/78/29/85/395782985.db2.gz KHXGBPGYIUPULV-UHFFFAOYSA-N 1 0 321.425 0.674 10 0 DCAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CNC(=O)C1 ZINC000194801877 395808343 /nfs/dbraw/zinc/80/83/43/395808343.db2.gz KDHWEQPBFRJSMI-LBPRGKRZSA-N 1 0 311.451 0.600 10 0 DCAERO O=C(c1ccc(-n2cnnn2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195086841 395816195 /nfs/dbraw/zinc/81/61/95/395816195.db2.gz DVTMLCOREZLQQX-HNNXBMFYSA-N 1 0 312.377 0.973 10 0 DCAERO COCC1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000112352542 395816411 /nfs/dbraw/zinc/81/64/11/395816411.db2.gz LIFBECRFJCCRDW-GFCCVEGCSA-N 1 0 311.426 0.470 10 0 DCAERO NS(=O)(=O)Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195450969 395827510 /nfs/dbraw/zinc/82/75/10/395827510.db2.gz UXWNKRMTGGBQAY-CQSZACIVSA-N 1 0 323.418 0.395 10 0 DCAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000113199046 395828328 /nfs/dbraw/zinc/82/83/28/395828328.db2.gz WESSMFGSEOJMQL-LBPRGKRZSA-N 1 0 324.425 0.698 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-n1cnnn1 ZINC000113222939 395828551 /nfs/dbraw/zinc/82/85/51/395828551.db2.gz UGXDTTVOCTZRME-CHWSQXEVSA-N 1 0 312.377 0.971 10 0 DCAERO CCN(CC)C(=O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509110 395830149 /nfs/dbraw/zinc/83/01/49/395830149.db2.gz KUAILHFJXPGRJT-UHFFFAOYSA-N 1 0 308.426 0.923 10 0 DCAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)ncn1 ZINC000116277751 395843332 /nfs/dbraw/zinc/84/33/32/395843332.db2.gz 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395910414 /nfs/dbraw/zinc/91/04/14/395910414.db2.gz MVXVJDPHIXAJHU-WCQYABFASA-N 1 0 317.455 0.162 10 0 DCAERO C[C@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCC[NH2+]1 ZINC000237747775 395918451 /nfs/dbraw/zinc/91/84/51/395918451.db2.gz LVWIWQGKVIWPEQ-CYBMUJFWSA-N 1 0 303.428 0.013 10 0 DCAERO O=S1(=O)CCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000134079616 395930878 /nfs/dbraw/zinc/93/08/78/395930878.db2.gz UMUUWSZWPMHTGB-YPMHNXCESA-N 1 0 303.380 0.324 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000132217897 395926474 /nfs/dbraw/zinc/92/64/74/395926474.db2.gz LSYMVDFQCUNUOH-QWHCGFSZSA-N 1 0 313.446 0.820 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000245400628 395927748 /nfs/dbraw/zinc/92/77/48/395927748.db2.gz YKNWZXWNVBQECP-KGLIPLIRSA-N 1 0 300.447 0.737 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000230851928 395882484 /nfs/dbraw/zinc/88/24/84/395882484.db2.gz GFTPZVGCZGEZPJ-VIFPVBQESA-N 1 0 306.819 0.966 10 0 DCAERO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000245538928 395931744 /nfs/dbraw/zinc/93/17/44/395931744.db2.gz NKLGNJOEQYGKQP-LSDHHAIUSA-N 1 0 312.435 0.908 10 0 DCAERO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1=O ZINC000245539167 395931797 /nfs/dbraw/zinc/93/17/97/395931797.db2.gz ZVLFHHKZIGRRDD-ZFWWWQNUSA-N 1 0 315.377 0.143 10 0 DCAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN2CC(=O)NC2=O)o1 ZINC000134704912 395934337 /nfs/dbraw/zinc/93/43/37/395934337.db2.gz ADEGASIZNPJRLR-UHFFFAOYSA-N 1 0 322.365 0.030 10 0 DCAERO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)C1 ZINC000246364470 395947853 /nfs/dbraw/zinc/94/78/53/395947853.db2.gz KPRDXMXKLCCRMM-UPJWGTAASA-N 1 0 319.471 0.838 10 0 DCAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246347886 395948007 /nfs/dbraw/zinc/94/80/07/395948007.db2.gz VRZYAUSYRTVCJG-HIFRSBDPSA-N 1 0 308.426 0.422 10 0 DCAERO CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000152052358 395999564 /nfs/dbraw/zinc/99/95/64/395999564.db2.gz MUDUECPJSXXXIQ-NSHDSACASA-N 1 0 316.379 0.829 10 0 DCAERO CN1CCO[C@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000136738431 395948535 /nfs/dbraw/zinc/94/85/35/395948535.db2.gz HQZUGLFBSXEPPU-SECBINFHSA-N 1 0 314.183 0.905 10 0 DCAERO O=C1OCC[C@@H]1CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000246563560 395952874 /nfs/dbraw/zinc/95/28/74/395952874.db2.gz BMEJXQHJDYOJCV-STQMWFEESA-N 1 0 316.423 0.440 10 0 DCAERO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000246591214 395953661 /nfs/dbraw/zinc/95/36/61/395953661.db2.gz WTVBZZNRKAWDQL-CZUORRHYSA-N 1 0 303.406 0.938 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)CC(C)C ZINC000139841548 395955347 /nfs/dbraw/zinc/95/53/47/395955347.db2.gz DIXXVMPQHPDCRL-UONOGXRCSA-N 1 0 301.431 0.803 10 0 DCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246867296 395959605 /nfs/dbraw/zinc/95/96/05/395959605.db2.gz NWEXTYZQMRNTQF-UONOGXRCSA-N 1 0 313.442 0.596 10 0 DCAERO CCOC(=O)C1CCN(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247065057 395965794 /nfs/dbraw/zinc/96/57/94/395965794.db2.gz GDPPLSLEAYGLGS-HNNXBMFYSA-N 1 0 323.437 0.568 10 0 DCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000247083348 395965821 /nfs/dbraw/zinc/96/58/21/395965821.db2.gz HDDHGHTVIKFBTG-PMPSAXMXSA-N 1 0 309.454 0.896 10 0 DCAERO CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247381743 395972146 /nfs/dbraw/zinc/97/21/46/395972146.db2.gz VZSODMCUPNRJBV-KBPBESRZSA-N 1 0 301.431 0.180 10 0 DCAERO CC[C@@H]1CN(CC(=O)NCc2cccnc2)CC[N@@H+]1C[C@H](C)O ZINC000247579110 395976676 /nfs/dbraw/zinc/97/66/76/395976676.db2.gz KZVHOIDZKOFWAW-GOEBONIOSA-N 1 0 320.437 0.475 10 0 DCAERO Cc1noc(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000151572847 395988351 /nfs/dbraw/zinc/98/83/51/395988351.db2.gz GJKDITXDHDFJKE-UHFFFAOYSA-N 1 0 311.386 0.019 10 0 DCAERO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000151610031 395988873 /nfs/dbraw/zinc/98/88/73/395988873.db2.gz 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CC[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+](C)C ZINC000154761885 396042181 /nfs/dbraw/zinc/04/21/81/396042181.db2.gz JWZKSVHUYIAXAX-GXFFZTMASA-N 1 0 313.423 0.851 10 0 DCAERO Cn1c(CN2CCO[C@H](C[NH+](C)C)C2)nc2ccccc2c1=O ZINC000155257885 396048628 /nfs/dbraw/zinc/04/86/28/396048628.db2.gz TWPAVGFFCFUQLZ-CYBMUJFWSA-N 1 0 316.405 0.696 10 0 DCAERO Cc1cccn2c(=O)cc(CN3CCO[C@@H](C[NH+](C)C)C3)nc12 ZINC000155378704 396050357 /nfs/dbraw/zinc/05/03/57/396050357.db2.gz QBOZOJHQKIIPMD-HNNXBMFYSA-N 1 0 316.405 0.765 10 0 DCAERO COc1ccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000155343948 396050435 /nfs/dbraw/zinc/05/04/35/396050435.db2.gz SVRMHSATECGFKI-OAHLLOKOSA-N 1 0 307.394 0.896 10 0 DCAERO [NH3+][C@H](C(=O)NCCC(=O)Nc1ccccc1)C1CCOCC1 ZINC000261703147 396058036 /nfs/dbraw/zinc/05/80/36/396058036.db2.gz IGNNFFLSMSQFDQ-HNNXBMFYSA-N 1 0 305.378 0.885 10 0 DCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000156271558 396061027 /nfs/dbraw/zinc/06/10/27/396061027.db2.gz 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IPIZHGAYEJEZTD-OLZOCXBDSA-N 1 0 306.428 0.053 10 0 DCAERO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000171883113 396127709 /nfs/dbraw/zinc/12/77/09/396127709.db2.gz TZMQNIPPZIKYLJ-HNNXBMFYSA-N 1 0 319.405 0.461 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262467873 396143524 /nfs/dbraw/zinc/14/35/24/396143524.db2.gz YJLZNEYYHMAMNS-MJBXVCDLSA-N 1 0 309.410 0.224 10 0 DCAERO CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173527810 396135359 /nfs/dbraw/zinc/13/53/59/396135359.db2.gz WAZMLKFGNYBCJG-DZGCQCFKSA-N 1 0 310.442 0.092 10 0 DCAERO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262398578 396136036 /nfs/dbraw/zinc/13/60/36/396136036.db2.gz QUOSDFGCKRGUGN-MJBXVCDLSA-N 1 0 322.453 0.186 10 0 DCAERO CC(C)NC(=O)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262436853 396139531 /nfs/dbraw/zinc/13/95/31/396139531.db2.gz GLELSKPCAJBLBI-DETPVDSQSA-N 1 0 311.426 0.550 10 0 DCAERO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)CN1CCOCC1 ZINC000175181544 396139746 /nfs/dbraw/zinc/13/97/46/396139746.db2.gz VSBRYEFIUDQEGX-CVEARBPZSA-N 1 0 322.453 0.610 10 0 DCAERO COC(=O)c1ccc(CCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261873267 396074416 /nfs/dbraw/zinc/07/44/16/396074416.db2.gz OKRHECFIVHMCRZ-UHFFFAOYSA-N 1 0 306.362 0.640 10 0 DCAERO CS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261875601 396075104 /nfs/dbraw/zinc/07/51/04/396075104.db2.gz UCNVHOSYZULEGV-CYBMUJFWSA-N 1 0 312.391 0.783 10 0 DCAERO COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261950322 396083209 /nfs/dbraw/zinc/08/32/09/396083209.db2.gz LMRXJNGGZCSXCJ-DZGCQCFKSA-N 1 0 305.378 0.157 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(C(=O)NCc2ccc(F)cc2)n1 ZINC000263231608 396207795 /nfs/dbraw/zinc/20/77/95/396207795.db2.gz NNAPJZVUHFMDNL-LBPRGKRZSA-N 1 0 319.340 0.715 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CNC(=O)c2ccccc2)n1 ZINC000263306168 396212899 /nfs/dbraw/zinc/21/28/99/396212899.db2.gz XYIPFCLGFSWQDE-GFCCVEGCSA-N 1 0 301.350 0.576 10 0 DCAERO Cn1nc(CC(=O)NC[C@@H]2CCC[NH2+]2)c2ccccc2c1=O ZINC000262541787 396153196 /nfs/dbraw/zinc/15/31/96/396153196.db2.gz VQZZTBZMABJUHX-NSHDSACASA-N 1 0 300.362 0.344 10 0 DCAERO CSCC[C@@H](NC(N)=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262579683 396158104 /nfs/dbraw/zinc/15/81/04/396158104.db2.gz IIHCPSYPMUGJRL-WDEREUQCSA-N 1 0 304.460 0.608 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000262586730 396159222 /nfs/dbraw/zinc/15/92/22/396159222.db2.gz PIGPIBMZXOTNRM-VXGBXAGGSA-N 1 0 303.428 0.044 10 0 DCAERO COc1cccc(C[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000263259905 396210528 /nfs/dbraw/zinc/21/05/28/396210528.db2.gz SHTOETLHSSNBRF-WBMJQRKESA-N 1 0 321.421 0.842 10 0 DCAERO CCc1cnc(N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)s1 ZINC000262642296 396167111 /nfs/dbraw/zinc/16/71/11/396167111.db2.gz JDLHDSWTDIKWIG-GFCCVEGCSA-N 1 0 310.423 0.343 10 0 DCAERO CCc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000177676620 396181275 /nfs/dbraw/zinc/18/12/75/396181275.db2.gz TURYPXZNYDPIEA-HNNXBMFYSA-N 1 0 319.405 0.977 10 0 DCAERO NC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177681488 396181432 /nfs/dbraw/zinc/18/14/32/396181432.db2.gz JUHYDFSNZRUHMB-CYBMUJFWSA-N 1 0 316.361 0.031 10 0 DCAERO Cc1cc(S(=O)(=O)NCCNC2=[NH+]CCCN2)c(C)s1 ZINC000262827873 396185690 /nfs/dbraw/zinc/18/56/90/396185690.db2.gz UMFIAIAPOGJRAA-UHFFFAOYSA-N 1 0 316.452 0.582 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1cc(F)ccc1F ZINC000262944304 396193096 /nfs/dbraw/zinc/19/30/96/396193096.db2.gz AOBVRHBTVLBTHH-AWEZNQCLSA-N 1 0 313.348 0.723 10 0 DCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)NCC(F)(F)F ZINC000079982353 396273071 /nfs/dbraw/zinc/27/30/71/396273071.db2.gz AIDQQBLTUCBBPS-VIFPVBQESA-N 1 0 312.336 0.694 10 0 DCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC(=O)NCC3CC3)CC[C@@H]21 ZINC000183781649 396274729 /nfs/dbraw/zinc/27/47/29/396274729.db2.gz ORKCBKCTXAEMCF-KBPBESRZSA-N 1 0 308.426 0.638 10 0 DCAERO O=C1CNC(=O)N1CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183800443 396275335 /nfs/dbraw/zinc/27/53/35/396275335.db2.gz KZUQXKTYVVCNEJ-UHFFFAOYSA-N 1 0 303.366 0.146 10 0 DCAERO O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1C[NH2+]C1 ZINC000263327619 396214235 /nfs/dbraw/zinc/21/42/35/396214235.db2.gz TWLJPTUTNWVBIL-AWEZNQCLSA-N 1 0 303.362 0.640 10 0 DCAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185013015 396314201 /nfs/dbraw/zinc/31/42/01/396314201.db2.gz NRICFEGHQQELBQ-CQSZACIVSA-N 1 0 319.409 0.964 10 0 DCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)N[C@@H]1CCCc2ccccc21 ZINC000184733566 396303788 /nfs/dbraw/zinc/30/37/88/396303788.db2.gz JEJWLPXZOZRBKH-BFYDXBDKSA-N 1 0 318.417 0.998 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(NC(=O)COC)C1 ZINC000185410495 396327557 /nfs/dbraw/zinc/32/75/57/396327557.db2.gz UWRNMFCOVPSIBU-ZDUSSCGKSA-N 1 0 312.414 0.017 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C)CC1 ZINC000185349254 396325086 /nfs/dbraw/zinc/32/50/86/396325086.db2.gz OYLVNOOPZJYKGA-HNNXBMFYSA-N 1 0 313.442 0.452 10 0 DCAERO COCC(=O)NC1CN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000185623172 396331932 /nfs/dbraw/zinc/33/19/32/396331932.db2.gz GHSRZCAPELALAP-LLVKDONJSA-N 1 0 314.430 0.119 10 0 DCAERO CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186967000 396360863 /nfs/dbraw/zinc/36/08/63/396360863.db2.gz SIDSGNYCVOIXNL-UHFFFAOYSA-N 1 0 309.410 0.180 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000186363951 396348475 /nfs/dbraw/zinc/34/84/75/396348475.db2.gz VWVITSHEQDNPGD-ZYHUDNBSSA-N 1 0 308.382 0.731 10 0 DCAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000186363968 396348603 /nfs/dbraw/zinc/34/86/03/396348603.db2.gz VWVITSHEQDNPGD-PWSUYJOCSA-N 1 0 308.382 0.731 10 0 DCAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000186357232 396348890 /nfs/dbraw/zinc/34/88/90/396348890.db2.gz BVHIUHWUMDIQPQ-XHSDSOJGSA-N 1 0 300.443 0.863 10 0 DCAERO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188864125 396388098 /nfs/dbraw/zinc/38/80/98/396388098.db2.gz KTWREGOELPULPR-AWEZNQCLSA-N 1 0 308.426 0.875 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188868746 396388114 /nfs/dbraw/zinc/38/81/14/396388114.db2.gz CKUTVQKEALTARJ-AWEZNQCLSA-N 1 0 308.426 0.781 10 0 DCAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC(CO)C1 ZINC000189033767 396389856 /nfs/dbraw/zinc/38/98/56/396389856.db2.gz GHZCEGCSSMPKKQ-CJNGLKHVSA-N 1 0 318.421 0.926 10 0 DCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)NC(=O)Nc1ccccc1 ZINC000189290207 396392437 /nfs/dbraw/zinc/39/24/37/396392437.db2.gz JTIYPSBJWMVXER-GFCCVEGCSA-N 1 0 318.377 0.935 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000190085529 396402266 /nfs/dbraw/zinc/40/22/66/396402266.db2.gz YBIRJZRNFHEARP-NWDGAFQWSA-N 1 0 318.377 0.019 10 0 DCAERO CNC(=O)CC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000191952581 396427785 /nfs/dbraw/zinc/42/77/85/396427785.db2.gz FVDKLGKHQYTPGT-UHFFFAOYSA-N 1 0 307.394 0.722 10 0 DCAERO CCOC(=O)c1ccc(C)c(S(=O)(=O)NCCC[NH3+])c1 ZINC000193229563 396446506 /nfs/dbraw/zinc/44/65/06/396446506.db2.gz GUXHDBRYJRAQLI-UHFFFAOYSA-N 1 0 300.380 0.799 10 0 DCAERO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000372746167 396542686 /nfs/dbraw/zinc/54/26/86/396542686.db2.gz UUIVBADWBCLSIY-AWEZNQCLSA-N 1 0 321.406 0.520 10 0 DCAERO C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC(=O)N1C ZINC000374475902 396667080 /nfs/dbraw/zinc/66/70/80/396667080.db2.gz NUUOLGLTWFOPFI-CQSZACIVSA-N 1 0 323.437 0.711 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000374879267 396694433 /nfs/dbraw/zinc/69/44/33/396694433.db2.gz IZXDWYSSRVPDCP-WOPDTQHZSA-N 1 0 304.412 0.151 10 0 DCAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000309738741 396759475 /nfs/dbraw/zinc/75/94/75/396759475.db2.gz RGZYBRACNGJOAR-HZPDHXFCSA-N 1 0 303.406 0.613 10 0 DCAERO CCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328632281 396827391 /nfs/dbraw/zinc/82/73/91/396827391.db2.gz 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158322869 /nfs/dbraw/zinc/32/28/69/158322869.db2.gz QDDACOSFMHXEFL-MCIONIFRSA-N 1 0 313.467 0.261 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000170858161 158376951 /nfs/dbraw/zinc/37/69/51/158376951.db2.gz RZMNHTCRUJOFBP-LLVKDONJSA-N 1 0 310.398 0.260 10 0 DCAERO CC(C)(O)C[NH+]1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000171147914 158381086 /nfs/dbraw/zinc/38/10/86/158381086.db2.gz DNBZEHZVTVEXII-UHFFFAOYSA-N 1 0 324.425 0.852 10 0 DCAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)c1 ZINC000171622045 158384282 /nfs/dbraw/zinc/38/42/82/158384282.db2.gz SVVJGBIVUNHVSY-CYBMUJFWSA-N 1 0 317.393 0.426 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171650435 158385880 /nfs/dbraw/zinc/38/58/80/158385880.db2.gz QEGBLFSLWNXFNZ-ZIAGYGMSSA-N 1 0 308.426 0.877 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCCNC1=O ZINC000171896200 158387387 /nfs/dbraw/zinc/38/73/87/158387387.db2.gz ITUILAAGPCHDQO-CHWSQXEVSA-N 1 0 312.414 0.065 10 0 DCAERO 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322.409 0.429 10 0 DCAERO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000329074017 159057978 /nfs/dbraw/zinc/05/79/78/159057978.db2.gz BCUKYCONXWGMJU-YOEHRIQHSA-N 1 0 321.421 0.199 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCN1C1CC[NH+](C)CC1 ZINC000329083961 159060385 /nfs/dbraw/zinc/06/03/85/159060385.db2.gz FMDNWSJENLCWCY-KGLIPLIRSA-N 1 0 322.453 0.980 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)CCO1 ZINC000329231523 159075271 /nfs/dbraw/zinc/07/52/71/159075271.db2.gz FGNPXTQOWPSOCQ-ZDUSSCGKSA-N 1 0 323.437 0.567 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)CCO1 ZINC000329262388 159077513 /nfs/dbraw/zinc/07/75/13/159077513.db2.gz ZKOQWVLTTINHJV-TZMCWYRMSA-N 1 0 309.410 0.319 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@H]2C1 ZINC000329596132 159105815 /nfs/dbraw/zinc/10/58/15/159105815.db2.gz CAPLNSQZFVSWOH-NWDGAFQWSA-N 1 0 307.398 0.578 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000329968718 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415582317 /nfs/dbraw/zinc/58/23/17/415582317.db2.gz XSTUJDUEIVTAJX-HNNXBMFYSA-N 1 0 304.442 0.460 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333217150 415585353 /nfs/dbraw/zinc/58/53/53/415585353.db2.gz VRYBHJMXHACWCO-APIJFGDWSA-N 1 0 315.483 0.730 10 0 DCAERO O=C(CN1CCC2(CC[NH2+]2)CC1)NC(=O)NC1CCCCC1 ZINC000333250509 415592731 /nfs/dbraw/zinc/59/27/31/415592731.db2.gz GSKHYKVJASRDAE-UHFFFAOYSA-N 1 0 308.426 0.973 10 0 DCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333270505 415598857 /nfs/dbraw/zinc/59/88/57/415598857.db2.gz CJZUMHLWMBNVHU-OXHZDVMGSA-N 1 0 302.440 0.956 10 0 DCAERO Cn1nccc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107281163 415662156 /nfs/dbraw/zinc/66/21/56/415662156.db2.gz NMZDWJMGAUYWFI-AWEZNQCLSA-N 1 0 305.426 0.662 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnccn2)CC1 ZINC000107281477 415665120 /nfs/dbraw/zinc/66/51/20/415665120.db2.gz DSRQDMSDWIYKNM-CQSZACIVSA-N 1 0 303.410 0.719 10 0 DCAERO CCOCC[N@@H+]1CCN(CCNS(=O)(=O)CC)C[C@@H]1CC ZINC000109328917 415683641 /nfs/dbraw/zinc/68/36/41/415683641.db2.gz SOCGEJAMSDHQBM-AWEZNQCLSA-N 1 0 321.487 0.358 10 0 DCAERO COCC1(CNC(=O)N2CCO[C@@H](C3CC3)C2)CC[NH2+]CC1 ZINC000333722231 415725174 /nfs/dbraw/zinc/72/51/74/415725174.db2.gz UUBPRFZECMIUDK-CQSZACIVSA-N 1 0 311.426 0.823 10 0 DCAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C[NH2+]C)C2)[C@@]12CCCO2 ZINC000333754187 415731268 /nfs/dbraw/zinc/73/12/68/415731268.db2.gz KHKUQEKCBCDIFE-AYDFFVQHSA-N 1 0 311.426 0.964 10 0 DCAERO C[C@@H](CN(C)CCN(C)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119722237 415751702 /nfs/dbraw/zinc/75/17/02/415751702.db2.gz RHVILYDQLNOPRZ-AWEZNQCLSA-N 1 0 319.515 0.625 10 0 DCAERO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000120110296 415758277 /nfs/dbraw/zinc/75/82/77/415758277.db2.gz GCBSHZFSVNONNG-NSHDSACASA-N 1 0 312.414 0.411 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000123005451 415839334 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HKXAHRCPVOYGHA-SNVBAGLBSA-N 1 0 324.347 0.791 10 0 DCAERO Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000177677066 416150053 /nfs/dbraw/zinc/15/00/53/416150053.db2.gz UDSXOJZZTQMLQQ-ZDUSSCGKSA-N 1 0 305.378 0.723 10 0 DCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000178542300 416166505 /nfs/dbraw/zinc/16/65/05/416166505.db2.gz SBSWZEBFLMMDDD-WCQYABFASA-N 1 0 311.451 0.885 10 0 DCAERO CCC[C@@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000178644933 416168375 /nfs/dbraw/zinc/16/83/75/416168375.db2.gz RILRTUNXAUSCGX-LBPRGKRZSA-N 1 0 305.444 0.211 10 0 DCAERO CCc1nsc(N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000178814944 416174697 /nfs/dbraw/zinc/17/46/97/416174697.db2.gz GWBUHMUUPCRWNZ-GHMZBOCLSA-N 1 0 309.439 0.877 10 0 DCAERO CN(C(=O)CC(C)(C)[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000178885958 416176043 /nfs/dbraw/zinc/17/60/43/416176043.db2.gz QIKCIVYUHGQGKO-UHFFFAOYSA-N 1 0 307.442 0.933 10 0 DCAERO CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000179114619 416182195 /nfs/dbraw/zinc/18/21/95/416182195.db2.gz SNQVCPFZVHXTPD-CQSZACIVSA-N 1 0 303.410 0.267 10 0 DCAERO CCCNC(=O)CN1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180988946 416203334 /nfs/dbraw/zinc/20/33/34/416203334.db2.gz OSKZEJWDPQUJBX-KRWDZBQOSA-N 1 0 324.469 0.625 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@H](CO)c2cnn(C)c2)CC1 ZINC000358195252 416209122 /nfs/dbraw/zinc/20/91/22/416209122.db2.gz LHKZDHQNKPYENO-CQSZACIVSA-N 1 0 307.398 0.405 10 0 DCAERO C[NH+](C)CCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182505899 416224486 /nfs/dbraw/zinc/22/44/86/416224486.db2.gz QLVRRGDDTMKUPZ-CYBMUJFWSA-N 1 0 305.382 0.438 10 0 DCAERO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000178453727 416165085 /nfs/dbraw/zinc/16/50/85/416165085.db2.gz RWZXQVWMFGSTIV-MRXNPFEDSA-N 1 0 302.422 0.282 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329362689 416165657 /nfs/dbraw/zinc/16/56/57/416165657.db2.gz HKHCUHWZZUWTHS-WBMJQRKESA-N 1 0 322.409 0.606 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](CO)C2CC2)C1 ZINC000358461795 416241638 /nfs/dbraw/zinc/24/16/38/416241638.db2.gz FSMJMKGVSDRHCQ-HUUCEWRRSA-N 1 0 313.442 0.661 10 0 DCAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](CO)C2CC2)C1 ZINC000358461794 416241779 /nfs/dbraw/zinc/24/17/79/416241779.db2.gz FSMJMKGVSDRHCQ-GJZGRUSLSA-N 1 0 313.442 0.661 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccn(C)n3)CC2)CCO1 ZINC000183460966 416242509 /nfs/dbraw/zinc/24/25/09/416242509.db2.gz QCRQJEOHJWYXLG-CYBMUJFWSA-N 1 0 306.410 0.674 10 0 DCAERO CCc1cccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000190051391 416273034 /nfs/dbraw/zinc/27/30/34/416273034.db2.gz IQQLREBYQUOBOL-CYBMUJFWSA-N 1 0 319.405 0.713 10 0 DCAERO CC(=O)NC1CN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000189954149 416273723 /nfs/dbraw/zinc/27/37/23/416273723.db2.gz QSKYNKCNBGJMRG-JHJVBQTASA-N 1 0 310.442 0.883 10 0 DCAERO Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190048033 416273822 /nfs/dbraw/zinc/27/38/22/416273822.db2.gz KUSPLMIOIHOGSS-GFCCVEGCSA-N 1 0 323.368 0.598 10 0 DCAERO CCc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000190027971 416274776 /nfs/dbraw/zinc/27/47/76/416274776.db2.gz MJAIGRXEFBDOID-ZDUSSCGKSA-N 1 0 319.405 0.713 10 0 DCAERO C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)CC[N@@H+]1CCO ZINC000190249522 416276749 /nfs/dbraw/zinc/27/67/49/416276749.db2.gz FJTVUYLQDYOUDE-AWEZNQCLSA-N 1 0 316.409 0.220 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000330788401 416239263 /nfs/dbraw/zinc/23/92/63/416239263.db2.gz QWVOTUDKNVVLAM-LSDHHAIUSA-N 1 0 311.426 0.567 10 0 DCAERO COCCn1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)n1 ZINC000358448420 416239634 /nfs/dbraw/zinc/23/96/34/416239634.db2.gz FKLLJRQUPZTXAD-UHFFFAOYSA-N 1 0 307.398 1.303 10 0 DCAERO CC(C)[NH2+]CCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000193491604 416317237 /nfs/dbraw/zinc/31/72/37/416317237.db2.gz FEILPIPOGWROHY-UHFFFAOYSA-N 1 0 303.472 0.179 10 0 DCAERO C[C@H](NC(=O)C(=O)N(C)Cc1cnccn1)C(C)(C)C[NH+](C)C ZINC000358836900 416282457 /nfs/dbraw/zinc/28/24/57/416282457.db2.gz WKRHTOUSFJBSHX-LBPRGKRZSA-N 1 0 321.425 0.528 10 0 DCAERO CC(=O)NC1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000191752573 416288618 /nfs/dbraw/zinc/28/86/18/416288618.db2.gz XFIRHGUCBUACCI-CQSZACIVSA-N 1 0 320.393 0.946 10 0 DCAERO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000192010578 416295738 /nfs/dbraw/zinc/29/57/38/416295738.db2.gz WZKSJDNXDLSHKF-DGCLKSJQSA-N 1 0 319.409 0.955 10 0 DCAERO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000192065133 416297800 /nfs/dbraw/zinc/29/78/00/416297800.db2.gz HPDUWJUEKRMCBF-LLVKDONJSA-N 1 0 307.398 0.813 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247472503 416333034 /nfs/dbraw/zinc/33/30/34/416333034.db2.gz RUBZSNBZYFUZEW-GRYCIOLGSA-N 1 0 301.412 0.052 10 0 DCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000262265884 416336449 /nfs/dbraw/zinc/33/64/49/416336449.db2.gz HGPSRLKPSYXKCF-RYUDHWBXSA-N 1 0 315.373 0.916 10 0 DCAERO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000262624348 416337016 /nfs/dbraw/zinc/33/70/16/416337016.db2.gz ZZVMXFFTGFWVTO-KBPBESRZSA-N 1 0 309.410 0.226 10 0 DCAERO COC(=O)[C@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000359589873 416352124 /nfs/dbraw/zinc/35/21/24/416352124.db2.gz IGNWJRNAAKETMK-KGLIPLIRSA-N 1 0 309.410 0.176 10 0 DCAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000359740848 416355862 /nfs/dbraw/zinc/35/58/62/416355862.db2.gz ALVPRBCGRCKWMS-WMLDXEAASA-N 1 0 323.437 0.836 10 0 DCAERO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1COCCN1 ZINC000238056603 416329818 /nfs/dbraw/zinc/32/98/18/416329818.db2.gz WBHIGPNXKCWNIR-MRXNPFEDSA-N 1 0 319.405 0.123 10 0 DCAERO C[C@@H](CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000246108774 416331625 /nfs/dbraw/zinc/33/16/25/416331625.db2.gz JKLRESDPYNHMHN-YCPHGPKFSA-N 1 0 324.469 0.831 10 0 DCAERO Cc1cnn(CC[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618452 416478074 /nfs/dbraw/zinc/47/80/74/416478074.db2.gz WTHQALQYLSPETA-HNNXBMFYSA-N 1 0 304.398 0.957 10 0 DCAERO C[C@H](CCNC(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCCCC1 ZINC000458654273 416486451 /nfs/dbraw/zinc/48/64/51/416486451.db2.gz OPRJZOIZTPSXSN-ZIAGYGMSSA-N 1 0 324.429 0.203 10 0 DCAERO NC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000536485905 416542201 /nfs/dbraw/zinc/54/22/01/416542201.db2.gz NLFCUSSQMXDHBQ-GFCCVEGCSA-N 1 0 322.434 0.766 10 0 DCAERO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000364951093 416597309 /nfs/dbraw/zinc/59/73/09/416597309.db2.gz PYCYZJAKDKWFKK-VXGBXAGGSA-N 1 0 323.359 0.714 10 0 DCAERO C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1[NH+](C)C ZINC000607972599 416647165 /nfs/dbraw/zinc/64/71/65/416647165.db2.gz PFFWSTMUYCRIBX-RSAASHCRSA-N 1 0 322.409 0.115 10 0 DCAERO CCc1nc(C(C)(C)NC(=O)NCCOCC[NH+](C)C)no1 ZINC000442584990 416697678 /nfs/dbraw/zinc/69/76/78/416697678.db2.gz OXSMSABAYPEEJR-UHFFFAOYSA-N 1 0 313.402 0.745 10 0 DCAERO CC(C)[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCS1 ZINC000631924537 416803510 /nfs/dbraw/zinc/80/35/10/416803510.db2.gz YAHUKTNWWNXLSI-VXGBXAGGSA-N 1 0 308.469 0.378 10 0 DCAERO c1csc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000623652569 416863020 /nfs/dbraw/zinc/86/30/20/416863020.db2.gz KFBVMBGUFGIKCK-JTQLQIEISA-N 1 0 301.379 0.949 10 0 DCAERO c1nnc2ccc(N3CC[C@H]([NH2+]Cc4cc5n(n4)CCC5)C3)nn12 ZINC000623651813 416865828 /nfs/dbraw/zinc/86/58/28/416865828.db2.gz WCLVNJBFSJFBTE-LBPRGKRZSA-N 1 0 324.392 0.636 10 0 DCAERO CO[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000631952994 416829210 /nfs/dbraw/zinc/82/92/10/416829210.db2.gz ZXFMASJRFJLTEQ-OLZOCXBDSA-N 1 0 306.428 0.099 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000446993731 416957460 /nfs/dbraw/zinc/95/74/60/416957460.db2.gz LIZAWENCARNPCX-UHFFFAOYSA-N 1 0 306.341 0.927 10 0 DCAERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000624394447 417026647 /nfs/dbraw/zinc/02/66/47/417026647.db2.gz FWAQSISCTRWARF-UHFFFAOYSA-N 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Cn1cc(Br)c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000662830414 417917631 /nfs/dbraw/zinc/91/76/31/417917631.db2.gz DFQRNVJYLYEJAG-YFKPBYRVSA-N 1 0 315.093 0.802 10 0 DCAERO c1cc(N2CC(NC3CC[NH+](C[C@H]4CCCO4)CC3)C2)ncn1 ZINC000631748861 417933721 /nfs/dbraw/zinc/93/37/21/417933721.db2.gz KYZFYCAQSCYSBF-MRXNPFEDSA-N 1 0 317.437 0.898 10 0 DCAERO Cn1c(CN2CC[NH+](CC(C)(C)O)CC2)nnc1C1CCC1 ZINC000181243504 545903198 /nfs/dbraw/zinc/90/31/98/545903198.db2.gz UJVBXUJSZRCQPL-UHFFFAOYSA-N 1 0 307.442 0.971 10 0 DCAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000193396504 287629409 /nfs/dbraw/zinc/62/94/09/287629409.db2.gz SHNQBPMBBUUVBN-GHMZBOCLSA-N 1 0 312.391 0.734 10 0 DCAERO CCC[C@H](C(=O)N1CCC(NS(=O)(=O)CC)CC1)[NH+](C)C ZINC000179494023 261112794 /nfs/dbraw/zinc/11/27/94/261112794.db2.gz TTXHKNXEQYNCHM-CYBMUJFWSA-N 1 0 319.471 0.647 10 0 DCAERO CNC(=O)[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000183665080 261116677 /nfs/dbraw/zinc/11/66/77/261116677.db2.gz 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/nfs/dbraw/zinc/13/96/45/261139645.db2.gz SQHZPOSXMDLGPL-AWEZNQCLSA-N 1 0 309.414 0.419 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000194731439 261147773 /nfs/dbraw/zinc/14/77/73/261147773.db2.gz XKPMFDWAXDPJKV-RWMBFGLXSA-N 1 0 307.394 0.372 10 0 DCAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194883947 261149290 /nfs/dbraw/zinc/14/92/90/261149290.db2.gz KSFWQZUQKBWQKA-ZDUSSCGKSA-N 1 0 307.369 0.852 10 0 DCAERO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCN1CCO ZINC000250121728 261166758 /nfs/dbraw/zinc/16/67/58/261166758.db2.gz VKLXFUFNANBSSW-RDJZCZTQSA-N 1 0 319.449 0.684 10 0 DCAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC000362758278 262068633 /nfs/dbraw/zinc/06/86/33/262068633.db2.gz VFWVFGSATFYWCR-AWEZNQCLSA-N 1 0 310.442 0.981 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000358653598 271063164 /nfs/dbraw/zinc/06/31/64/271063164.db2.gz UYEVJQMIGRUSCF-AWEZNQCLSA-N 1 0 320.437 0.949 10 0 DCAERO C[N@@H+]1CCN(CCNC(=O)NC[C@@H](CO)C2CC2)CC1(C)C ZINC000359098929 271094638 /nfs/dbraw/zinc/09/46/38/271094638.db2.gz GSGWRZZVNBGRKF-AWEZNQCLSA-N 1 0 312.458 0.330 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359602506 271128478 /nfs/dbraw/zinc/12/84/78/271128478.db2.gz UVTSEDQEDBQZNQ-HNNXBMFYSA-N 1 0 311.426 0.424 10 0 DCAERO CC[NH+](CC)CC(=O)N1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359602507 271129643 /nfs/dbraw/zinc/12/96/43/271129643.db2.gz UVTSEDQEDBQZNQ-OAHLLOKOSA-N 1 0 311.426 0.424 10 0 DCAERO CC(=O)[C@](C)(O)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000450615472 271876382 /nfs/dbraw/zinc/87/63/82/271876382.db2.gz PMQMMSSAURICIT-MRXNPFEDSA-N 1 0 304.346 0.554 10 0 DCAERO CO[C@H]1COCC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000459009946 271982304 /nfs/dbraw/zinc/98/23/04/271982304.db2.gz PIMUUITVEBYEHG-OCCSQVGLSA-N 1 0 308.382 0.266 10 0 DCAERO COC(=O)C(C)(C)N1CC[NH+](C[C@@H](O)COCC(C)C)CC1 ZINC000494432164 272222246 /nfs/dbraw/zinc/22/22/46/272222246.db2.gz 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/nfs/dbraw/zinc/01/63/62/277016362.db2.gz RUKUWGPVFBLPGJ-CYBMUJFWSA-N 1 0 309.410 0.944 10 0 DCAERO CC(=O)N[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C)cc1 ZINC000262334614 277054122 /nfs/dbraw/zinc/05/41/22/277054122.db2.gz SLWNIHVZNHRTIO-OAGGEKHMSA-N 1 0 319.405 0.259 10 0 DCAERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333577427 277245732 /nfs/dbraw/zinc/24/57/32/277245732.db2.gz NEGTUXICMABYGU-RGCMKSIDSA-N 1 0 322.453 0.931 10 0 DCAERO C[NH2+]CCNC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000237051306 277271337 /nfs/dbraw/zinc/27/13/37/277271337.db2.gz BFUQXIMUVCDFQU-JTQLQIEISA-N 1 0 302.371 0.714 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC(C)CC2)[N@H+](C)C1 ZINC000408049089 277347510 /nfs/dbraw/zinc/34/75/10/277347510.db2.gz VJBRMFQEJWJCAD-KBPBESRZSA-N 1 0 311.426 0.422 10 0 DCAERO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246892910 277368657 /nfs/dbraw/zinc/36/86/57/277368657.db2.gz NDERJNFUIYDWEF-QLFBSQMISA-N 1 0 323.437 0.424 10 0 DCAERO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254655 277417565 /nfs/dbraw/zinc/41/75/65/277417565.db2.gz QTXWNCLBPAUCQO-SNVBAGLBSA-N 1 0 316.379 0.713 10 0 DCAERO CS(=O)(=O)N1CC[C@@H](C[N@H+](CCO)C2CCCCC2)C1 ZINC000338277797 278111455 /nfs/dbraw/zinc/11/14/55/278111455.db2.gz HKFWHRRNQFUSCP-ZDUSSCGKSA-N 1 0 304.456 0.895 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496451 278322280 /nfs/dbraw/zinc/32/22/80/278322280.db2.gz GXTGBSIEGPMEMV-OSMZGAPFSA-N 1 0 318.377 0.392 10 0 DCAERO C[C@H]1CCN(C(=O)c2cnc3sccn3c2=O)[C@@H](C[NH3+])C1 ZINC000261778807 278364384 /nfs/dbraw/zinc/36/43/84/278364384.db2.gz KXXNTZBCWICJFH-VHSXEESVSA-N 1 0 306.391 0.955 10 0 DCAERO C[C@H]1COCC[C@@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000195343915 278458362 /nfs/dbraw/zinc/45/83/62/278458362.db2.gz BKCWTKDOESNVNA-HOTGVXAUSA-N 1 0 309.454 0.899 10 0 DCAERO CC1=C(C(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C)n2ncnc2N1C ZINC000195221087 278483182 /nfs/dbraw/zinc/48/31/82/278483182.db2.gz QQYFYDBQWNEHJF-VXGBXAGGSA-N 1 0 304.398 0.725 10 0 DCAERO C[C@@H]1CCN(C(=O)CNC(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000261697851 278530731 /nfs/dbraw/zinc/53/07/31/278530731.db2.gz FHCNAPHJVFLRCA-UKRRQHHQSA-N 1 0 303.406 0.931 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cnc2ccccn2c1=O ZINC000155227204 288081519 /nfs/dbraw/zinc/08/15/19/288081519.db2.gz OCYARKTYQSGWCI-VXGBXAGGSA-N 1 0 300.362 0.859 10 0 DCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(O)CCOCC1 ZINC000171425696 279127214 /nfs/dbraw/zinc/12/72/14/279127214.db2.gz VNGROPVUUCKZIS-CYBMUJFWSA-N 1 0 301.431 0.803 10 0 DCAERO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H]([NH+]3CC=CC3)C1)CC2 ZINC000174635461 279139787 /nfs/dbraw/zinc/13/97/87/279139787.db2.gz ULTBYOQHXUJABI-KBPBESRZSA-N 1 0 316.409 0.557 10 0 DCAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCC(=O)OC(C)(C)C ZINC000185343760 279168495 /nfs/dbraw/zinc/16/84/95/279168495.db2.gz LNFCDPZVWHTQCF-GFCCVEGCSA-N 1 0 302.415 0.783 10 0 DCAERO CC[NH+]1CCC(N(C)S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408237466 279258175 /nfs/dbraw/zinc/25/81/75/279258175.db2.gz RFBPQERWECQQPK-CHWSQXEVSA-N 1 0 319.471 0.757 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000177274591 288137754 /nfs/dbraw/zinc/13/77/54/288137754.db2.gz APEUGZXHFJNKIM-HZPDHXFCSA-N 1 0 309.454 0.897 10 0 DCAERO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCCC2(C1)OCCO2 ZINC000179437135 280132109 /nfs/dbraw/zinc/13/21/09/280132109.db2.gz GKRBKQMQRMIRAL-OAHLLOKOSA-N 1 0 324.421 0.995 10 0 DCAERO O=C(c1ccccc1O)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188388928 280213741 /nfs/dbraw/zinc/21/37/41/280213741.db2.gz SSUOLNFECFJMHK-WCQYABFASA-N 1 0 321.352 0.377 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CCSCC1 ZINC000552437622 288274910 /nfs/dbraw/zinc/27/49/10/288274910.db2.gz MXKWDLWWUZKRDM-UHFFFAOYSA-N 1 0 301.456 0.656 10 0 DCAERO CC1(C)CN(C(=O)CS(=O)(=O)C2CCCC2)CC[C@@H]1[NH3+] ZINC000261662654 281165100 /nfs/dbraw/zinc/16/51/00/281165100.db2.gz 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CCS(=O)(=O)CCNC(=O)NCCN1CCCC[C@@H]1C ZINC000069224152 665487214 /nfs/dbraw/zinc/48/72/14/665487214.db2.gz PFGSWEAKBLOTRV-LBPRGKRZSA-N 1 0 305.444 0.595 10 0 DCAERO CS(=O)(=O)Nc1ccc(OCCNC2=[NH+]CCCN2)cc1 ZINC000262303633 657516135 /nfs/dbraw/zinc/51/61/35/657516135.db2.gz BXVWRUIXAQYLNF-UHFFFAOYSA-N 1 0 312.395 0.376 10 0 DCAERO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000052553794 657715834 /nfs/dbraw/zinc/71/58/34/657715834.db2.gz DWKFSQHEAHRFJQ-HNNXBMFYSA-N 1 0 314.389 1.000 10 0 DCAERO C[C@@](O)(C[NH2+][C@H]1CCS(=O)(=O)C1)C(F)(F)C(F)(F)F ZINC000724109825 657969116 /nfs/dbraw/zinc/96/91/16/657969116.db2.gz PFEMHMDOQGPETG-NKWVEPMBSA-N 1 0 311.272 0.712 10 0 DCAERO CCn1cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)nc1C ZINC000050265633 658187298 /nfs/dbraw/zinc/18/72/98/658187298.db2.gz NAZZCDYPJOWVMN-SNVBAGLBSA-N 1 0 300.428 0.878 10 0 DCAERO O[C@@H](C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)COCc1ccccc1 ZINC000724624358 658741967 /nfs/dbraw/zinc/74/19/67/658741967.db2.gz 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/nfs/dbraw/zinc/97/85/90/665978590.db2.gz VFSCMAFJNUPJTA-NSHDSACASA-N 1 0 312.391 0.893 10 0 DCAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CCC(N)=O ZINC000908108503 663734084 /nfs/dbraw/zinc/73/40/84/663734084.db2.gz XHQMRYYUKGCZTL-BLLLJJGKSA-N 1 0 321.425 0.527 10 0 DCAERO C[NH+](C)CCCNC(=O)c1cnc(-n2cnnc2)c(Cl)c1 ZINC000223064337 664399319 /nfs/dbraw/zinc/39/93/19/664399319.db2.gz XMMHZTOEOJOIJB-UHFFFAOYSA-N 1 0 308.773 0.997 10 0 DCAERO CC[NH+](CC)CCNC(=O)CCn1ncc2c1c(C)nn2C ZINC000223860476 664425588 /nfs/dbraw/zinc/42/55/88/664425588.db2.gz MVVKPDHRNKDDNJ-UHFFFAOYSA-N 1 0 306.414 0.926 10 0 DCAERO C[NH2+][C@@H](C)CNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000312336253 664692984 /nfs/dbraw/zinc/69/29/84/664692984.db2.gz JYSOSMQENLFMGV-JTQLQIEISA-N 1 0 300.380 0.501 10 0 DCAERO CC1([C@@H]2CCC[N@H+](C[C@H](O)CN3CCCC3=O)C2)OCCO1 ZINC000183852852 666125203 /nfs/dbraw/zinc/12/52/03/666125203.db2.gz UBCDRNSFBFDZRY-KGLIPLIRSA-N 1 0 312.410 0.445 10 0 DCAERO CC[S@](=O)CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000735113646 666955134 /nfs/dbraw/zinc/95/51/34/666955134.db2.gz VFXGFYLHWXICJJ-NRFANRHFSA-N 1 0 310.423 0.682 10 0 DCAERO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702846435 667011089 /nfs/dbraw/zinc/01/10/89/667011089.db2.gz QNLIFHMUSRAHCH-CHWSQXEVSA-N 1 0 310.398 0.738 10 0 DCAERO CC(C)OCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709820269 667445792 /nfs/dbraw/zinc/44/57/92/667445792.db2.gz RWNAHHUKVZOGGP-NXEZZACHSA-N 1 0 318.361 0.810 10 0 DCAERO C[C@H]([NH2+][C@H]1CCNC1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711032717 667448340 /nfs/dbraw/zinc/44/83/40/667448340.db2.gz GYBTWTQJEWYNAY-SRVKXCTJSA-N 1 0 313.398 0.489 10 0 DCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000886075687 667728910 /nfs/dbraw/zinc/72/89/10/667728910.db2.gz WQNFOINPDBZGMP-LOWVWBTDSA-N 1 0 306.366 0.554 10 0 DCAERO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886088803 667730704 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CS(=O)(=O)N1CCC([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715469466 670210401 /nfs/dbraw/zinc/21/04/01/670210401.db2.gz GDKVCPWNYHOKCY-ZIAGYGMSSA-N 1 0 302.440 0.958 10 0 DCAERO C[C@@H]1[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CCS1(=O)=O ZINC000715366045 670211351 /nfs/dbraw/zinc/21/13/51/670211351.db2.gz JEKBPPWLCDSDGT-HKUMRIAESA-N 1 0 300.424 0.458 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc(Br)cn1 ZINC000111751130 670506738 /nfs/dbraw/zinc/50/67/38/670506738.db2.gz DKZLPTSVQKCOGE-UHFFFAOYSA-N 1 0 314.187 0.107 10 0 DCAERO [NH3+][C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1C(F)(F)F ZINC000717035939 670947085 /nfs/dbraw/zinc/94/70/85/670947085.db2.gz QACSWSPKZHWBMW-NXEZZACHSA-N 1 0 315.361 0.233 10 0 DCAERO COCC[N@@H+]1CCN(CN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000117323320 671192756 /nfs/dbraw/zinc/19/27/56/671192756.db2.gz SPGLPBODGFZVHC-CYBMUJFWSA-N 1 0 317.389 0.893 10 0 DCAERO COCC[C@H]([NH3+])C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000390134847 685259652 /nfs/dbraw/zinc/25/96/52/685259652.db2.gz 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/nfs/dbraw/zinc/31/25/15/685312515.db2.gz ITUXNURHOBEQAF-UHFFFAOYSA-N 1 0 305.247 0.180 10 0 DCAERO Cn1nccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720808558 685315180 /nfs/dbraw/zinc/31/51/80/685315180.db2.gz XDTYQIVBJHCBSZ-JGVFFNPUSA-N 1 0 312.317 0.178 10 0 DCAERO CCn1cc([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cn1 ZINC000721226954 685317955 /nfs/dbraw/zinc/31/79/55/685317955.db2.gz CJSRJCHJMQCFGU-YPMHNXCESA-N 1 0 301.412 0.757 10 0 DCAERO Cc1sc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1C ZINC000722596353 685319430 /nfs/dbraw/zinc/31/94/30/685319430.db2.gz ACVVILDLRMABIC-GFCCVEGCSA-N 1 0 317.480 0.937 10 0 DCAERO COCC[C@H]([NH3+])C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000052792521 685060735 /nfs/dbraw/zinc/06/07/35/685060735.db2.gz CCTKYULTYYCQEP-VHSXEESVSA-N 1 0 300.380 0.832 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000249553051 685181890 /nfs/dbraw/zinc/18/18/90/685181890.db2.gz ISOYMGUJXULRLH-IAQYHMDHSA-N 1 0 300.349 0.997 10 0 DCAERO 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LHXINFWBCMDWCT-YPMHNXCESA-N 1 0 305.382 0.604 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)c1cnoc1-c1cnn(C)c1 ZINC000189120203 1187871628 /nfs/dbraw/zinc/87/16/28/1187871628.db2.gz CEEMRUXNZYUECW-UHFFFAOYSA-N 1 0 321.381 0.773 10 0 DCAERO C[NH+](C)C1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000189371542 1187892723 /nfs/dbraw/zinc/89/27/23/1187892723.db2.gz ZZYAVBOBNIICGL-UHFFFAOYSA-N 1 0 301.350 0.484 10 0 DCAERO O[C@@H](C[NH2+]CC[C@@]1(O)CCOC1)COCc1cccs1 ZINC000404215367 1190189964 /nfs/dbraw/zinc/18/99/64/1190189964.db2.gz SWHDUVXVLBOTCC-GXTWGEPZSA-N 1 0 301.408 0.757 10 0 DCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401803518 774066314 /nfs/dbraw/zinc/06/63/14/774066314.db2.gz OXLZJTXUQIBFDK-XQHKEYJVSA-N 1 0 300.399 0.981 10 0 DCAERO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([NH+]3CC=CC3)C1)CC2 ZINC000174635450 282121057 /nfs/dbraw/zinc/12/10/57/282121057.db2.gz ULTBYOQHXUJABI-KGLIPLIRSA-N 1 0 316.409 0.557 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000408419858 282137471 /nfs/dbraw/zinc/13/74/71/282137471.db2.gz PEZSQIJINOIKMG-NWDGAFQWSA-N 1 0 308.386 0.085 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000174093081 529701435 /nfs/dbraw/zinc/70/14/35/529701435.db2.gz SCSHCPKOOLFWDZ-GJZGRUSLSA-N 1 0 312.410 0.546 10 0 DCAERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CC(N)=O)c1ccccc1O2 ZINC000266827176 282724014 /nfs/dbraw/zinc/72/40/14/282724014.db2.gz KYBWAEHMVBARKB-CYBMUJFWSA-N 1 0 317.389 0.966 10 0 DCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000171983549 198020841 /nfs/dbraw/zinc/02/08/41/198020841.db2.gz LXRKSGBOOWNJQE-XJKSGUPXSA-N 1 0 320.437 1.000 10 0 DCAERO CC[C@H]1CN(C(=O)NCCn2cc(C)cn2)CC[N@@H+]1CCOC ZINC000172293072 198073362 /nfs/dbraw/zinc/07/33/62/198073362.db2.gz CZZUTCROHIIWFK-HNNXBMFYSA-N 1 0 323.441 0.944 10 0 DCAERO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ncnn4C3)C2=O)n1 ZINC000174085249 198289279 /nfs/dbraw/zinc/28/92/79/198289279.db2.gz VQIZYQIWHMMHCV-VXGBXAGGSA-N 1 0 315.381 0.112 10 0 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/nfs/dbraw/zinc/05/32/27/199053227.db2.gz YEPBDRWUBFQQEE-CQSZACIVSA-N 1 0 317.393 0.426 10 0 DCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245576901 283363938 /nfs/dbraw/zinc/36/39/38/283363938.db2.gz BESNPNGTYZMLCR-GVXVVHGQSA-N 1 0 322.409 0.306 10 0 DCAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1nc2ccccn2c1=O ZINC000155473278 237042355 /nfs/dbraw/zinc/04/23/55/237042355.db2.gz SUMUBMVEQDMKHM-VXGBXAGGSA-N 1 0 303.366 0.047 10 0 DCAERO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCN2CCCC2=O)C1(C)C ZINC000187186913 200074443 /nfs/dbraw/zinc/07/44/43/200074443.db2.gz GZJKWNAAJGQGRF-LRDDRELGSA-N 1 0 311.426 0.648 10 0 DCAERO O=S(=O)(C[C@H]1CCCCO1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000178589717 237230533 /nfs/dbraw/zinc/23/05/33/237230533.db2.gz ZVMWTGZDMZKGRR-UONOGXRCSA-N 1 0 320.455 0.322 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816722 237325015 /nfs/dbraw/zinc/32/50/15/237325015.db2.gz NXKPJRITUUQXQU-AWEZNQCLSA-N 1 0 316.467 0.278 10 0 DCAERO COc1cnccc1[C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000187496650 237349111 /nfs/dbraw/zinc/34/91/11/237349111.db2.gz DVNPZFCFCDIBGJ-ABAIWWIYSA-N 1 0 310.398 0.763 10 0 DCAERO CCOC(=O)[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H](C)CC ZINC000188636117 200279045 /nfs/dbraw/zinc/27/90/45/200279045.db2.gz QNSMNWMLRHMDKE-BXKDBHETSA-N 1 0 308.382 0.763 10 0 DCAERO CCC[C@H](O)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000154492887 291214348 /nfs/dbraw/zinc/21/43/48/291214348.db2.gz GXNSAFRAIVNAIX-AWEZNQCLSA-N 1 0 306.410 0.724 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000164135150 291246977 /nfs/dbraw/zinc/24/69/77/291246977.db2.gz QQFVMEKTQOYJJY-LLVKDONJSA-N 1 0 322.413 0.328 10 0 DCAERO CN(C)c1ncc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000164121414 291247001 /nfs/dbraw/zinc/24/70/01/291247001.db2.gz OUCXUQQUCGKMAR-UHFFFAOYSA-N 1 0 322.413 0.185 10 0 DCAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000423666538 240235631 /nfs/dbraw/zinc/23/56/31/240235631.db2.gz JYCLSGXJWWGGLK-WPRPVWTQSA-N 1 0 314.183 0.559 10 0 DCAERO Cn1ccnc1[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000275350249 212285886 /nfs/dbraw/zinc/28/58/86/212285886.db2.gz IBGYEUDISZHSIL-KGLIPLIRSA-N 1 0 320.441 0.512 10 0 DCAERO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542317 193070364 /nfs/dbraw/zinc/07/03/64/193070364.db2.gz OTUWQLHEXPNGQQ-AVGNSLFASA-N 1 0 317.455 0.434 10 0 DCAERO CCN1CC[C@@]2(CN(c3cccnn3)CC[N@@H+]2C)CCC1=O ZINC000091604162 193078746 /nfs/dbraw/zinc/07/87/46/193078746.db2.gz SYXPESCNEFAQJD-MRXNPFEDSA-N 1 0 303.410 1.000 10 0 DCAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000262624356 283863090 /nfs/dbraw/zinc/86/30/90/283863090.db2.gz ZZVMXFFTGFWVTO-UONOGXRCSA-N 1 0 309.410 0.226 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457737870 241031723 /nfs/dbraw/zinc/03/17/23/241031723.db2.gz LOZKTCJQSKYAOW-UHFFFAOYSA-N 1 0 308.378 0.826 10 0 DCAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175114852 284239873 /nfs/dbraw/zinc/23/98/73/284239873.db2.gz UYWWSSPDPCYISW-STQMWFEESA-N 1 0 302.382 0.249 10 0 DCAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000571967089 291541476 /nfs/dbraw/zinc/54/14/76/291541476.db2.gz LLEAAJRQVUUFOQ-KXNHARMFSA-N 1 0 306.428 0.033 10 0 DCAERO CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000020189115 182195625 /nfs/dbraw/zinc/19/56/25/182195625.db2.gz RRTRXUACMLZIMI-UHFFFAOYSA-N 1 0 315.370 0.137 10 0 DCAERO CC[C@@H](C)[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000104686362 194025499 /nfs/dbraw/zinc/02/54/99/194025499.db2.gz AHPLZXZTFYMHEU-LLVKDONJSA-N 1 0 307.398 0.554 10 0 DCAERO CCc1nc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cs1 ZINC000104795523 194040014 /nfs/dbraw/zinc/04/00/14/194040014.db2.gz YBHZSUZXVIWMJL-GFCCVEGCSA-N 1 0 312.439 0.878 10 0 DCAERO C[C@@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)[N@H+](C)C1CC1 ZINC000105267608 194091088 /nfs/dbraw/zinc/09/10/88/194091088.db2.gz MKCPDUINQSQOTH-LBPRGKRZSA-N 1 0 310.442 0.979 10 0 DCAERO 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FMMPZITZQUBMOE-CHWSQXEVSA-N 1 0 308.444 0.035 10 0 DCAERO C[C@@H](C(=O)N1CCc2sccc2C1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333817251 252766718 /nfs/dbraw/zinc/76/67/18/252766718.db2.gz GVLKPLNKKRQTMA-DRZSPHRISA-N 1 0 309.435 0.286 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000245420692 285236482 /nfs/dbraw/zinc/23/64/82/285236482.db2.gz NCWWBTUMDPIYFV-HUUCEWRRSA-N 1 0 312.458 0.833 10 0 DCAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCC[C@H](C(=O)NC4CC4)[C@H]3C2)cn1 ZINC000248163739 257107176 /nfs/dbraw/zinc/10/71/76/257107176.db2.gz YWQITGQFPGOVQH-XHSDSOJGSA-N 1 0 318.421 0.926 10 0 DCAERO COCCO[C@@H]1CC[N@H+]([C@H]2CCOC2)[C@@H]1Cc1cnn(C)c1 ZINC000248147591 257108493 /nfs/dbraw/zinc/10/84/93/257108493.db2.gz SHHRFJPECMNSBP-ARFHVFGLSA-N 1 0 309.410 0.857 10 0 DCAERO Cn1cccc1C(=O)N1C[C@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC000247990198 257111995 /nfs/dbraw/zinc/11/19/95/257111995.db2.gz LHDCCCYTQXEDBC-LSDHHAIUSA-N 1 0 306.410 0.112 10 0 DCAERO COCC[N@@H+]1C[C@@H]2OCC[C@@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000247894674 257115225 /nfs/dbraw/zinc/11/52/25/257115225.db2.gz UMZIAYRTBUEGNL-PMPSAXMXSA-N 1 0 319.405 0.681 10 0 DCAERO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H]2CCCO[C@@H]12)c1ccno1 ZINC000247431381 257119377 /nfs/dbraw/zinc/11/93/77/257119377.db2.gz UPZYMIGPFFCLMH-XFMPKHEZSA-N 1 0 321.377 0.673 10 0 DCAERO O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248734073 285353586 /nfs/dbraw/zinc/35/35/86/285353586.db2.gz QNJKODSRLPQJLE-WMZOPIPTSA-N 1 0 318.417 0.811 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc4nnc(C(F)F)n4n3)[C@@H]2C1 ZINC000284452341 131081339 /nfs/dbraw/zinc/08/13/39/131081339.db2.gz CXXPMBKZXXWPBO-ZJUUUORDSA-N 1 0 324.335 0.971 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(c3ccc4nnc(C(F)F)n4n3)[C@@H]2C1 ZINC000284452338 131081974 /nfs/dbraw/zinc/08/19/74/131081974.db2.gz CXXPMBKZXXWPBO-NXEZZACHSA-N 1 0 324.335 0.971 10 0 DCAERO COCc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262326454 285490251 /nfs/dbraw/zinc/49/02/51/285490251.db2.gz RWMOLTRCNOEKGZ-MFKMUULPSA-N 1 0 304.346 0.889 10 0 DCAERO Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)n2ncnc2n1 ZINC000085689346 395701580 /nfs/dbraw/zinc/70/15/80/395701580.db2.gz BSVGWQGECWWAQP-ZIAGYGMSSA-N 1 0 316.409 0.858 10 0 DCAERO CCNC(=O)C[N@H+](CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085784723 395701962 /nfs/dbraw/zinc/70/19/62/395701962.db2.gz ZAFJBMFFUVSNTG-LBPRGKRZSA-N 1 0 305.444 0.116 10 0 DCAERO C[C@H](CN1CCOCC1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000091587557 395726546 /nfs/dbraw/zinc/72/65/46/395726546.db2.gz XPIJMIRBEUIUIN-IAGOWNOFSA-N 1 0 311.470 0.894 10 0 DCAERO CC[NH+](CC)CCOC(=S)NC[C@H]1CCS(=O)(=O)C1 ZINC000040166441 395732950 /nfs/dbraw/zinc/73/29/50/395732950.db2.gz QQQSTKRLAJKVAC-LLVKDONJSA-N 1 0 308.469 0.654 10 0 DCAERO CCCO[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000108493743 395790124 /nfs/dbraw/zinc/79/01/24/395790124.db2.gz SDRQRANFYFLNIJ-JKSUJKDBSA-N 1 0 300.443 0.961 10 0 DCAERO c1cc(NCCCC[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000100718115 395763635 /nfs/dbraw/zinc/76/36/35/395763635.db2.gz DNPRKYXQGGVKCL-UHFFFAOYSA-N 1 0 321.425 0.838 10 0 DCAERO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C[C@@H](C)O1 ZINC000102648540 395770757 /nfs/dbraw/zinc/77/07/57/395770757.db2.gz ONVYCMCCYPCTMW-NFAWXSAZSA-N 1 0 323.437 0.613 10 0 DCAERO COc1ccc(CNC(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1 ZINC000193590114 395773007 /nfs/dbraw/zinc/77/30/07/395773007.db2.gz KBWLFOAUTTTYHE-IAQYHMDHSA-N 1 0 305.378 0.426 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc2ccccc2c1=O ZINC000194748232 395807027 /nfs/dbraw/zinc/80/70/27/395807027.db2.gz KWWJMXHNKNYLKJ-LBPRGKRZSA-N 1 0 300.362 0.607 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000111353299 395808532 /nfs/dbraw/zinc/80/85/32/395808532.db2.gz VGEDIMDTUVTFPV-MJBXVCDLSA-N 1 0 319.471 0.804 10 0 DCAERO COC(=O)CC[N@H+](CC(C)C)C[C@@H](O)CN1CCCC1=O ZINC000111685735 395812131 /nfs/dbraw/zinc/81/21/31/395812131.db2.gz FEDCJKXTSPLKEY-CYBMUJFWSA-N 1 0 300.399 0.491 10 0 DCAERO CC[C@H]1CN(C[C@H](O)CN2CCCC2=O)CC[N@@H+]1CCOC ZINC000111690415 395812451 /nfs/dbraw/zinc/81/24/51/395812451.db2.gz TWPQZGTUAQHFGA-GJZGRUSLSA-N 1 0 313.442 0.012 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@@H](C)OC)C2)CC1 ZINC000195230447 395821918 /nfs/dbraw/zinc/82/19/18/395821918.db2.gz NCVUVCLCSOBLLL-KGLIPLIRSA-N 1 0 319.471 0.063 10 0 DCAERO Cc1nc(C)c(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(=O)[nH]1 ZINC000195322211 395824365 /nfs/dbraw/zinc/82/43/65/395824365.db2.gz KISZTDXBPLLEAM-ZDUSSCGKSA-N 1 0 304.394 0.626 10 0 DCAERO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)C(C)(C)C ZINC000114473539 395834891 /nfs/dbraw/zinc/83/48/91/395834891.db2.gz PWRQVGGCPRMYMH-LLVKDONJSA-N 1 0 307.460 0.408 10 0 DCAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116790015 395846119 /nfs/dbraw/zinc/84/61/19/395846119.db2.gz DZBFDFYWVBPUKN-LBPRGKRZSA-N 1 0 308.382 0.009 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCO1 ZINC000116796132 395846213 /nfs/dbraw/zinc/84/62/13/395846213.db2.gz UWNLYPSSVKSIFX-QRQCRPRQSA-N 1 0 324.446 0.968 10 0 DCAERO CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116790911 395846406 /nfs/dbraw/zinc/84/64/06/395846406.db2.gz QFRODCNBRJPRAO-HNNXBMFYSA-N 1 0 319.405 0.791 10 0 DCAERO CN(C(=O)CN1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887959 395848033 /nfs/dbraw/zinc/84/80/33/395848033.db2.gz ZKOHEOSVIUMCLL-LBPRGKRZSA-N 1 0 311.407 0.273 10 0 DCAERO CC[C@@H]1CN(C(=O)CCc2cnn(C)c2)CC[N@@H+]1CCOC ZINC000117307957 395852325 /nfs/dbraw/zinc/85/23/25/395852325.db2.gz ALKSQVZGFOHJCJ-OAHLLOKOSA-N 1 0 308.426 0.922 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000245424150 395929167 /nfs/dbraw/zinc/92/91/67/395929167.db2.gz CAZJKEPBSOCTHJ-UONOGXRCSA-N 1 0 311.426 0.424 10 0 DCAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(c2cccnn2)CC1 ZINC000123867128 395898515 /nfs/dbraw/zinc/89/85/15/395898515.db2.gz PBIJJUBBLNYWGU-INIZCTEOSA-N 1 0 315.421 1.000 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000124100432 395900160 /nfs/dbraw/zinc/90/01/60/395900160.db2.gz QHKBMNLKABHRGT-GFCCVEGCSA-N 1 0 303.366 0.455 10 0 DCAERO COCC[NH2+]CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000237150256 395904730 /nfs/dbraw/zinc/90/47/30/395904730.db2.gz DNPDULFFIRGDEG-JTQLQIEISA-N 1 0 312.395 0.309 10 0 DCAERO COCC[NH2+]CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000237232249 395908070 /nfs/dbraw/zinc/90/80/70/395908070.db2.gz QQCYAMXDQWPHAG-NSHDSACASA-N 1 0 313.348 0.896 10 0 DCAERO Cn1c(=O)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n(C)c1=O ZINC000273462125 395923289 /nfs/dbraw/zinc/92/32/89/395923289.db2.gz ZSUJKKGBVFLYSN-OLZOCXBDSA-N 1 0 309.410 0.313 10 0 DCAERO C[NH+](C)CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000244160064 395924186 /nfs/dbraw/zinc/92/41/86/395924186.db2.gz UXKFUARCLXZUHO-UHFFFAOYSA-N 1 0 318.465 0.872 10 0 DCAERO C[NH+](C)C[C@H](NC(=O)CN1CSCC1=O)c1ccccc1 ZINC000052555760 395865439 /nfs/dbraw/zinc/86/54/39/395865439.db2.gz 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ZINC000057205116 395940833 /nfs/dbraw/zinc/94/08/33/395940833.db2.gz XWZVLCJRZGOWBS-OAHLLOKOSA-N 1 0 320.437 0.985 10 0 DCAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000246191490 395943401 /nfs/dbraw/zinc/94/34/01/395943401.db2.gz VNEYRDJBGPUHLE-KFWWJZLASA-N 1 0 300.443 0.815 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246431380 395949979 /nfs/dbraw/zinc/94/99/79/395949979.db2.gz NDIZUHSZMBDONJ-DGCLKSJQSA-N 1 0 320.393 0.874 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)NCC(F)(F)F ZINC000246622377 395954104 /nfs/dbraw/zinc/95/41/04/395954104.db2.gz JZTBUKYDBPVPKG-BBBLOLIVSA-N 1 0 307.316 0.702 10 0 DCAERO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246791135 395958229 /nfs/dbraw/zinc/95/82/29/395958229.db2.gz AJUVFWXCGBQNSP-NFAWXSAZSA-N 1 0 306.410 0.893 10 0 DCAERO COC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc1OC ZINC000274664233 395966125 /nfs/dbraw/zinc/96/61/25/395966125.db2.gz JSFLFAHEUWKUBU-RYUDHWBXSA-N 1 0 323.393 0.768 10 0 DCAERO COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000247149999 395967650 /nfs/dbraw/zinc/96/76/50/395967650.db2.gz KAMACRXKINGWQF-KBPBESRZSA-N 1 0 313.442 0.574 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000247135941 395967894 /nfs/dbraw/zinc/96/78/94/395967894.db2.gz VWWDQOHBVWXFBK-OCCSQVGLSA-N 1 0 302.378 0.507 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000247434182 395973040 /nfs/dbraw/zinc/97/30/40/395973040.db2.gz OXYPRPAUXDHSHQ-STQMWFEESA-N 1 0 309.410 0.714 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000247482745 395974456 /nfs/dbraw/zinc/97/44/56/395974456.db2.gz SWEKSJXKIWDLBD-RYUDHWBXSA-N 1 0 324.425 0.506 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253821 395982795 /nfs/dbraw/zinc/98/27/95/395982795.db2.gz PQTPLSDVVRNAFD-GHMZBOCLSA-N 1 0 316.365 0.762 10 0 DCAERO 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TUOIEMFRMJIGNR-UHFFFAOYSA-N 1 0 305.378 0.589 10 0 DCAERO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000249149760 396003925 /nfs/dbraw/zinc/00/39/25/396003925.db2.gz HAOSDFFRBUNKLH-AAEUAGOBSA-N 1 0 318.377 0.724 10 0 DCAERO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n(C)n1 ZINC000249252939 396004625 /nfs/dbraw/zinc/00/46/25/396004625.db2.gz YCYQTWANOLNULY-NEPJUHHUSA-N 1 0 305.382 0.362 10 0 DCAERO COC(=O)c1ncn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000152434660 396008668 /nfs/dbraw/zinc/00/86/68/396008668.db2.gz XDGVJSTWIKZMSH-CQSZACIVSA-N 1 0 316.361 0.484 10 0 DCAERO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000250366308 396014647 /nfs/dbraw/zinc/01/46/47/396014647.db2.gz KCKCQLWFWIACTG-VXGBXAGGSA-N 1 0 304.412 0.153 10 0 DCAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000261836241 396070921 /nfs/dbraw/zinc/07/09/21/396070921.db2.gz KKPWRCNLNLUXHY-CABCVRRESA-N 1 0 323.437 0.474 10 0 DCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000261972438 396085985 /nfs/dbraw/zinc/08/59/85/396085985.db2.gz ZDAISAAQQANBET-KOFHJDLBSA-N 1 0 323.437 0.504 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000261989478 396087711 /nfs/dbraw/zinc/08/77/11/396087711.db2.gz MRRFIYRXTFKIFM-VHSXEESVSA-N 1 0 323.315 0.020 10 0 DCAERO [NH3+][C@H](C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)C1CCOCC1 ZINC000262015533 396089872 /nfs/dbraw/zinc/08/98/72/396089872.db2.gz OLSPRCBUWGUTHG-BBRMVZONSA-N 1 0 323.437 0.790 10 0 DCAERO CC(=O)N1CCC([C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CO)CC1 ZINC000169789043 396093329 /nfs/dbraw/zinc/09/33/29/396093329.db2.gz RZOFDOUGWMWCSJ-RDJZCZTQSA-N 1 0 310.438 0.964 10 0 DCAERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170873695 396099746 /nfs/dbraw/zinc/09/97/46/396099746.db2.gz QBOPIRZUWAZYMI-GFCCVEGCSA-N 1 0 312.391 0.798 10 0 DCAERO CC[NH2+]CCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303095 396101248 /nfs/dbraw/zinc/10/12/48/396101248.db2.gz KMRMGIAXBZCILI-UHFFFAOYSA-N 1 0 314.407 0.680 10 0 DCAERO COCc1cc(N2CCC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070451976 396102287 /nfs/dbraw/zinc/10/22/87/396102287.db2.gz OJYAKOWLEHSKKF-UHFFFAOYSA-N 1 0 300.366 0.880 10 0 DCAERO COc1ccc(CN2CC[C@H](NC(=O)C3C[NH2+]C3)C2=O)cc1 ZINC000262159203 396105628 /nfs/dbraw/zinc/10/56/28/396105628.db2.gz AUHLMNHDWYHYBZ-AWEZNQCLSA-N 1 0 303.362 0.132 10 0 DCAERO Cc1cnn(C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CCOCC3)CCO2)c1 ZINC000262161737 396105822 /nfs/dbraw/zinc/10/58/22/396105822.db2.gz XYHOJWFWBQHYPM-CABCVRRESA-N 1 0 322.409 0.173 10 0 DCAERO Cn1c2ccc(NC(=O)[C@H]([NH3+])C3CCOCC3)cc2oc1=O ZINC000262168521 396106345 /nfs/dbraw/zinc/10/63/45/396106345.db2.gz YLAWYOKWTPWACI-CYBMUJFWSA-N 1 0 305.334 0.824 10 0 DCAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000071189443 396110800 /nfs/dbraw/zinc/11/08/00/396110800.db2.gz ZRVWAZJPAGSPOX-SECBINFHSA-N 1 0 306.819 0.646 10 0 DCAERO Cc1noc(CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000171237729 396111640 /nfs/dbraw/zinc/11/16/40/396111640.db2.gz KLMCYKCPMCUVHT-GFCCVEGCSA-N 1 0 311.386 0.067 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000171604377 396119588 /nfs/dbraw/zinc/11/95/88/396119588.db2.gz UPIMMJJDWVXBIQ-CYBMUJFWSA-N 1 0 322.413 0.582 10 0 DCAERO CS(=O)(=O)C1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000262301174 396120565 /nfs/dbraw/zinc/12/05/65/396120565.db2.gz ZZYXTBBWVBLVRC-KGLIPLIRSA-N 1 0 322.430 0.826 10 0 DCAERO CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262323283 396123831 /nfs/dbraw/zinc/12/38/31/396123831.db2.gz DAWXYLVZDVSFDR-SOUVJXGZSA-N 1 0 316.442 0.635 10 0 DCAERO O=C(Nc1ccc2c(c1)C(=O)NC2=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807679 396125201 /nfs/dbraw/zinc/12/52/01/396125201.db2.gz LXPBECAJHOGHKI-NSHDSACASA-N 1 0 314.345 0.882 10 0 DCAERO Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC000278466589 396126464 /nfs/dbraw/zinc/12/64/64/396126464.db2.gz SSPCJMHPDNIAJF-ZIAGYGMSSA-N 1 0 305.426 0.908 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1c(F)cc(F)cc1F ZINC000262343208 396127687 /nfs/dbraw/zinc/12/76/87/396127687.db2.gz ULZQBKUNFXNBQG-UHFFFAOYSA-N 1 0 315.295 0.608 10 0 DCAERO Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000262352926 396129371 /nfs/dbraw/zinc/12/93/71/396129371.db2.gz JJCYRKGVLSBFDL-GJZGRUSLSA-N 1 0 305.426 0.567 10 0 DCAERO CN(C)C(=O)C1(CNC(=O)C2(C[NH3+])CCOCC2)CCCC1 ZINC000262379667 396132792 /nfs/dbraw/zinc/13/27/92/396132792.db2.gz WWMUVAOIMSEFII-UHFFFAOYSA-N 1 0 311.426 0.507 10 0 DCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(CCc2ccccc2)CC1 ZINC000262431663 396139410 /nfs/dbraw/zinc/13/94/10/396139410.db2.gz RTKOFNNYMPDGFL-HZPDHXFCSA-N 1 0 303.406 0.096 10 0 DCAERO CC[NH2+][C@H](C)CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262439300 396140306 /nfs/dbraw/zinc/14/03/06/396140306.db2.gz HFUJJQHDGCSRNC-LLVKDONJSA-N 1 0 302.378 0.590 10 0 DCAERO O=C(CNC1=[NH+]CCCN1)N1CCN(c2ccccc2)CC1 ZINC000261869450 396074187 /nfs/dbraw/zinc/07/41/87/396074187.db2.gz OPKSKATZBPWRBE-UHFFFAOYSA-N 1 0 301.394 0.274 10 0 DCAERO CCn1nc(C(=O)NC[C@H]([NH3+])C2CC2)c(=O)c2ccccc21 ZINC000261898397 396077383 /nfs/dbraw/zinc/07/73/83/396077383.db2.gz DJXVIAFIDNWJKA-LBPRGKRZSA-N 1 0 300.362 0.884 10 0 DCAERO C[C@@H]1CN(C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000261940928 396081990 /nfs/dbraw/zinc/08/19/90/396081990.db2.gz XKJWCEFMRDQIPN-BETUJISGSA-N 1 0 313.442 0.498 10 0 DCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188006 396205030 /nfs/dbraw/zinc/20/50/30/396205030.db2.gz HOZJZIIUVLMYEI-DGCLKSJQSA-N 1 0 316.361 0.475 10 0 DCAERO CSc1cc2c(cc1CNC[C@@H]1C[NH2+]C[C@@H]1O)OCCO2 ZINC000263189049 396205184 /nfs/dbraw/zinc/20/51/84/396205184.db2.gz HQZBSTXWIIHBCW-NEPJUHHUSA-N 1 0 310.419 0.850 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000262547756 396153732 /nfs/dbraw/zinc/15/37/32/396153732.db2.gz RYIPFLAOTKKGSS-JJRVBVJISA-N 1 0 307.438 0.826 10 0 DCAERO CCc1n[nH]c(=O)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1CC ZINC000176574288 396157635 /nfs/dbraw/zinc/15/76/35/396157635.db2.gz UXAKVDCNFHWFSV-LLVKDONJSA-N 1 0 304.394 0.815 10 0 DCAERO Cc1nn(C)c2ncc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc12 ZINC000263262199 396210568 /nfs/dbraw/zinc/21/05/68/396210568.db2.gz RCPVHVNZJUZMIK-GFCCVEGCSA-N 1 0 313.365 0.903 10 0 DCAERO CSC[C@@H](CCO)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262699608 396174554 /nfs/dbraw/zinc/17/45/54/396174554.db2.gz BWBOFLUXGRLKQA-VXGBXAGGSA-N 1 0 312.439 0.651 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccnn3)CC2)CC[N@@H+]1C ZINC000279450108 396176788 /nfs/dbraw/zinc/17/67/88/396176788.db2.gz OAAPSVAIXNRTME-KBPBESRZSA-N 1 0 303.410 0.856 10 0 DCAERO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000177613597 396179395 /nfs/dbraw/zinc/17/93/95/396179395.db2.gz KFSNWANFMSJFQK-JSGCOSHPSA-N 1 0 304.394 0.405 10 0 DCAERO Cc1c(F)cccc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177679502 396180989 /nfs/dbraw/zinc/18/09/89/396180989.db2.gz YVNXGRTUKWRHKZ-GFCCVEGCSA-N 1 0 323.368 0.862 10 0 DCAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000262777450 396181530 /nfs/dbraw/zinc/18/15/30/396181530.db2.gz OCRRYPAVKDLKIY-QWRGUYRKSA-N 1 0 312.391 0.734 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262793756 396183252 /nfs/dbraw/zinc/18/32/52/396183252.db2.gz DIBHXODHNWDKLQ-WDEREUQCSA-N 1 0 312.801 0.794 10 0 DCAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000075649932 396184472 /nfs/dbraw/zinc/18/44/72/396184472.db2.gz PRMKNBXWIXHMRT-GFCCVEGCSA-N 1 0 300.362 0.861 10 0 DCAERO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263297845 396211810 /nfs/dbraw/zinc/21/18/10/396211810.db2.gz WQGKCOKTVZRMRG-GXSJLCMTSA-N 1 0 322.331 0.340 10 0 DCAERO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000075961078 396190315 /nfs/dbraw/zinc/19/03/15/396190315.db2.gz PCJLEKMNGSQGTO-HOTGVXAUSA-N 1 0 308.422 0.815 10 0 DCAERO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178287926 396193180 /nfs/dbraw/zinc/19/31/80/396193180.db2.gz FSVOKYFKBYZIFO-AWEZNQCLSA-N 1 0 322.409 0.677 10 0 DCAERO COc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263171390 396204399 /nfs/dbraw/zinc/20/43/99/396204399.db2.gz FUKKKDUCXKYZSB-QWRGUYRKSA-N 1 0 302.321 0.967 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnn(-c3ccccc3)n2)n1 ZINC000263173539 396204410 /nfs/dbraw/zinc/20/44/10/396204410.db2.gz GANSAFYGHUCLIM-ZDUSSCGKSA-N 1 0 311.349 0.893 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(-n3cnnn3)cc2)n1 ZINC000263173505 396204607 /nfs/dbraw/zinc/20/46/07/396204607.db2.gz FZXVBHPEBQYLMW-LBPRGKRZSA-N 1 0 312.337 0.288 10 0 DCAERO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181523583 396239655 /nfs/dbraw/zinc/23/96/55/396239655.db2.gz KSJCCAHPMWAERP-MDZLAQPJSA-N 1 0 322.409 0.354 10 0 DCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cccn2)CC1 ZINC000181769183 396242164 /nfs/dbraw/zinc/24/21/64/396242164.db2.gz XYESHTLPKOJZPP-CQSZACIVSA-N 1 0 323.441 0.617 10 0 DCAERO COc1cc(N2CC[NH+](CCCN3CCOCC3)CC2)ncn1 ZINC000184061678 396282418 /nfs/dbraw/zinc/28/24/18/396282418.db2.gz MGXABFKFFDXUJN-UHFFFAOYSA-N 1 0 321.425 0.330 10 0 DCAERO OCC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CCCCC1 ZINC000183716305 396273912 /nfs/dbraw/zinc/27/39/12/396273912.db2.gz LOJATQBEGSVRDO-HOTGVXAUSA-N 1 0 300.443 0.600 10 0 DCAERO COc1cccc(OCCN2CCN(C(=O)C3C[NH2+]C3)CC2)c1 ZINC000263321863 396213281 /nfs/dbraw/zinc/21/32/81/396213281.db2.gz ROEOETPTPFKXGH-UHFFFAOYSA-N 1 0 319.405 0.438 10 0 DCAERO CCNC(=O)COc1ccc(CNC(=O)C2C[NH2+]C2)cc1OC ZINC000263312963 396213708 /nfs/dbraw/zinc/21/37/08/396213708.db2.gz PRAJSZBVOHLGCJ-UHFFFAOYSA-N 1 0 321.377 0.046 10 0 DCAERO O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000263329774 396214394 /nfs/dbraw/zinc/21/43/94/396214394.db2.gz UPCNNGHJXBCTRZ-UHFFFAOYSA-N 1 0 322.840 0.798 10 0 DCAERO CCc1ncc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000178941455 396215372 /nfs/dbraw/zinc/21/53/72/396215372.db2.gz BDPNXYDJRBRTSP-LBPRGKRZSA-N 1 0 303.366 0.284 10 0 DCAERO Cc1nc(C)c(C(=O)NC[C@](C)(O)CN2CCOCC2)nc1C ZINC000184315550 396290237 /nfs/dbraw/zinc/29/02/37/396290237.db2.gz XAYIELSLMGZQBL-INIZCTEOSA-N 1 0 322.409 0.215 10 0 DCAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000184396062 396293430 /nfs/dbraw/zinc/29/34/30/396293430.db2.gz VCBZFXQZKGPZDQ-LSDHHAIUSA-N 1 0 319.453 0.903 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000184693319 396302272 /nfs/dbraw/zinc/30/22/72/396302272.db2.gz LNSCVUWQDCLEOQ-OAHLLOKOSA-N 1 0 314.474 0.816 10 0 DCAERO CCOc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184727025 396303512 /nfs/dbraw/zinc/30/35/12/396303512.db2.gz GENMLESDAQYLNG-ZIAGYGMSSA-N 1 0 308.378 0.841 10 0 DCAERO CCn1cc(CN2CCCN(C(=O)CC(=O)NC)CC2)cn1 ZINC000185378376 396325903 /nfs/dbraw/zinc/32/59/03/396325903.db2.gz ODISTYXZTLGPHD-UHFFFAOYSA-N 1 0 307.398 0.073 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@]2(C)C(N)=O)CC1 ZINC000185924355 396336885 /nfs/dbraw/zinc/33/68/85/396336885.db2.gz DJFLQICCYXCQLX-QGZVFWFLSA-N 1 0 324.469 0.705 10 0 DCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187089936 396362784 /nfs/dbraw/zinc/36/27/84/396362784.db2.gz XADDAMWERIYTMJ-KGLIPLIRSA-N 1 0 312.458 0.879 10 0 DCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187089950 396362936 /nfs/dbraw/zinc/36/29/36/396362936.db2.gz XADDAMWERIYTMJ-UONOGXRCSA-N 1 0 312.458 0.879 10 0 DCAERO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000187354213 396368144 /nfs/dbraw/zinc/36/81/44/396368144.db2.gz DLPMRPDNXPPNKW-LBPRGKRZSA-N 1 0 310.402 0.035 10 0 DCAERO C[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CCO ZINC000187649413 396372379 /nfs/dbraw/zinc/37/23/79/396372379.db2.gz PMXRSQDUSKPCRM-CYBMUJFWSA-N 1 0 317.389 0.281 10 0 DCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000188455348 396382552 /nfs/dbraw/zinc/38/25/52/396382552.db2.gz PDUXJYJWNTYMSY-UONOGXRCSA-N 1 0 311.401 0.938 10 0 DCAERO O=C(COc1ccccc1)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188646769 396384374 /nfs/dbraw/zinc/38/43/74/396384374.db2.gz QFNBOCALCVBRTR-UHFFFAOYSA-N 1 0 317.389 0.488 10 0 DCAERO NC(=O)[C@@]1(O)CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000286285258 396386064 /nfs/dbraw/zinc/38/60/64/396386064.db2.gz SSFJYXVMYIUJOK-WMLDXEAASA-N 1 0 317.389 0.319 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000189326015 396393323 /nfs/dbraw/zinc/39/33/23/396393323.db2.gz CTOZHJGXRHWBCV-HEHGZKQESA-N 1 0 317.389 0.564 10 0 DCAERO COc1ccc(COCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc1 ZINC000189320332 396393436 /nfs/dbraw/zinc/39/34/36/396393436.db2.gz GCUPUKVWAQRMOD-LSDHHAIUSA-N 1 0 308.378 0.705 10 0 DCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000189714148 396397692 /nfs/dbraw/zinc/39/76/92/396397692.db2.gz UGUNPHMQYIPIJV-KBPBESRZSA-N 1 0 318.439 0.292 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190019182 396401588 /nfs/dbraw/zinc/40/15/88/396401588.db2.gz FEOJOEMTWIKHPZ-CYBMUJFWSA-N 1 0 319.409 0.754 10 0 DCAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000190211231 396402979 /nfs/dbraw/zinc/40/29/79/396402979.db2.gz OZSYEDYOSGFNKZ-LBPRGKRZSA-N 1 0 308.426 0.638 10 0 DCAERO CCc1nnc(C2CC[NH+](CCN3C(=O)CNC3=O)CC2)[nH]1 ZINC000190647535 396409473 /nfs/dbraw/zinc/40/94/73/396409473.db2.gz GKUNLFXNQOXOPH-UHFFFAOYSA-N 1 0 306.370 0.098 10 0 DCAERO COCCN1CCC[N@H+](CCC(=O)NC2CCCC2)CC1=O ZINC000190773428 396411255 /nfs/dbraw/zinc/41/12/55/396411255.db2.gz UYPPNIAYAUARDG-UHFFFAOYSA-N 1 0 311.426 0.616 10 0 DCAERO CN1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000191949100 396427893 /nfs/dbraw/zinc/42/78/93/396427893.db2.gz UJWBIELEKYUDDZ-UHFFFAOYSA-N 1 0 308.426 0.735 10 0 DCAERO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccnn1C ZINC000192250833 396430729 /nfs/dbraw/zinc/43/07/29/396430729.db2.gz JHGKCASCGZOUJC-LLVKDONJSA-N 1 0 308.407 0.961 10 0 DCAERO O=C(NC1CN(S(=O)(=O)CC[NH+]2CCCC2)C1)C1CCC1 ZINC000192884925 396439692 /nfs/dbraw/zinc/43/96/92/396439692.db2.gz HSPRSXXBVPKOEZ-UHFFFAOYSA-N 1 0 315.439 0.013 10 0 DCAERO O=C(N1CCC[N@@H+](C2CCOCC2)CC1)[C@]1(O)CCSC1 ZINC000372315812 396506590 /nfs/dbraw/zinc/50/65/90/396506590.db2.gz HSVPDANKMUGVFP-HNNXBMFYSA-N 1 0 314.451 0.568 10 0 DCAERO COC(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000594793962 396516677 /nfs/dbraw/zinc/51/66/77/396516677.db2.gz XNFRGWGHDLQPRK-LLVKDONJSA-N 1 0 306.428 0.732 10 0 DCAERO CC(=O)N1CCC(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000528755304 396564837 /nfs/dbraw/zinc/56/48/37/396564837.db2.gz GMOQVAJHQSONOF-YWDSYVAPSA-N 1 0 311.426 0.515 10 0 DCAERO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561009481 396628405 /nfs/dbraw/zinc/62/84/05/396628405.db2.gz GYSRTSIWJKDHLM-UHFFFAOYSA-N 1 0 317.393 0.977 10 0 DCAERO CC[C@H]1CN(c2ncccc2C(=O)NC)CC[N@@H+]1CCOC ZINC000301419690 396716539 /nfs/dbraw/zinc/71/65/39/396716539.db2.gz 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/nfs/dbraw/zinc/81/54/11/396815411.db2.gz FUXFWYSHGWFAOO-UHFFFAOYSA-N 1 0 303.204 0.780 10 0 DCAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000564847596 396882471 /nfs/dbraw/zinc/88/24/71/396882471.db2.gz OHCHFPOXUQLSCO-WFASDCNBSA-N 1 0 318.377 0.899 10 0 DCAERO CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333793819 396932640 /nfs/dbraw/zinc/93/26/40/396932640.db2.gz GPYOJDKZXIXVOW-NEPJUHHUSA-N 1 0 303.428 0.347 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCSC[C@H]2CCO)C1 ZINC000336821039 396938987 /nfs/dbraw/zinc/93/89/87/396938987.db2.gz GGZZGRSQYMBNOF-CHWSQXEVSA-N 1 0 322.496 0.458 10 0 DCAERO O=C([C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1)N1CCCC1 ZINC000601073339 397001163 /nfs/dbraw/zinc/00/11/63/397001163.db2.gz SPNNGKUNTYNIPT-ZDUSSCGKSA-N 1 0 322.409 0.263 10 0 DCAERO COC[C@@H]([NH3+])Cc1cn(CC(=O)NCc2ccccc2)nn1 ZINC000630588348 397054862 /nfs/dbraw/zinc/05/48/62/397054862.db2.gz CURVIYIOZCERBQ-ZDUSSCGKSA-N 1 0 303.366 0.111 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364068393 397179152 /nfs/dbraw/zinc/17/91/52/397179152.db2.gz BRNRFMWFJDQRAR-ZNMIVQPWSA-N 1 0 309.410 0.055 10 0 DCAERO NC(=O)c1cccc(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612970581 397166636 /nfs/dbraw/zinc/16/66/36/397166636.db2.gz KDFZDTTYRMXEIO-CQSZACIVSA-N 1 0 316.405 0.769 10 0 DCAERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000379940709 397268254 /nfs/dbraw/zinc/26/82/54/397268254.db2.gz AWBMTFFZRNOEGU-VXNVDRBHSA-N 1 0 300.340 0.168 10 0 DCAERO CC(C)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccs1 ZINC000394256178 397308503 /nfs/dbraw/zinc/30/85/03/397308503.db2.gz IHSXOAMKLZNAOO-NSHDSACASA-N 1 0 318.464 0.934 10 0 DCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCC3CC3)CC2)CCO1 ZINC000407951167 397333074 /nfs/dbraw/zinc/33/30/74/397333074.db2.gz BLXGQEAVRUDSHY-LBPRGKRZSA-N 1 0 309.410 0.224 10 0 DCAERO CNS(=O)(=O)CCC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000407950378 397333357 /nfs/dbraw/zinc/33/33/57/397333357.db2.gz DDXNPUBIZXQZNL-CYBMUJFWSA-N 1 0 319.471 0.111 10 0 DCAERO COC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C ZINC000407970245 397341653 /nfs/dbraw/zinc/34/16/53/397341653.db2.gz ZGDJOHOTBIJAFP-DVOMOZLQSA-N 1 0 309.410 0.034 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000408183020 397348955 /nfs/dbraw/zinc/34/89/55/397348955.db2.gz OTRJNRCLOZXBLV-UHFFFAOYSA-N 1 0 306.428 0.055 10 0 DCAERO CC(=O)c1ncc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000614071409 397376618 /nfs/dbraw/zinc/37/66/18/397376618.db2.gz QXAXCYTYEXNHSR-AWEZNQCLSA-N 1 0 311.407 0.874 10 0 DCAERO CC(=O)N1CC[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000621461348 397388298 /nfs/dbraw/zinc/38/82/98/397388298.db2.gz HMFYMAZSNYAJMB-CYBMUJFWSA-N 1 0 301.350 0.754 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000578294809 397415241 /nfs/dbraw/zinc/41/52/41/397415241.db2.gz WAZJNMCNLBJYMJ-LBPRGKRZSA-N 1 0 321.425 0.940 10 0 DCAERO CCNC(=O)C1(CNC(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000488261019 397488139 /nfs/dbraw/zinc/48/81/39/397488139.db2.gz FDMJAUXWSZGTFX-UHFFFAOYSA-N 1 0 319.409 0.521 10 0 DCAERO Cc1nnc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)[nH]1 ZINC000605422544 397664445 /nfs/dbraw/zinc/66/44/45/397664445.db2.gz HPNXIAIJLINKEG-OAHLLOKOSA-N 1 0 314.393 0.457 10 0 DCAERO NC(=O)C[C@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000607728152 397704985 /nfs/dbraw/zinc/70/49/85/397704985.db2.gz JZKIYKMVVRUZNV-GFCCVEGCSA-N 1 0 322.409 0.581 10 0 DCAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000608784500 397755498 /nfs/dbraw/zinc/75/54/98/397755498.db2.gz BECOSQJFMWKCCL-SOUVJXGZSA-N 1 0 315.410 0.961 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)[N@H+](C)C1 ZINC000329129986 286083575 /nfs/dbraw/zinc/08/35/75/286083575.db2.gz OCBGLPZUQYBMAT-ZQNQSHIBSA-N 1 0 312.410 0.094 10 0 DCAERO CO[C@H]1C[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)N(C(C)=O)C1 ZINC000329445121 286103712 /nfs/dbraw/zinc/10/37/12/286103712.db2.gz KTXRVCINPGLAKM-LZWOXQAQSA-N 1 0 309.410 0.176 10 0 DCAERO C[NH+](C)C[C@H](NC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000047618241 158004462 /nfs/dbraw/zinc/00/44/62/158004462.db2.gz OCUANEIXXBAITJ-INIZCTEOSA-N 1 0 320.437 0.921 10 0 DCAERO CN1N=C(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1=O ZINC000049073783 158009789 /nfs/dbraw/zinc/00/97/89/158009789.db2.gz RRKMGSUTXCTHFY-UHFFFAOYSA-N 1 0 306.410 0.929 10 0 DCAERO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000056967404 158024222 /nfs/dbraw/zinc/02/42/22/158024222.db2.gz GODVUUPTXAROPO-ZDUSSCGKSA-N 1 0 309.435 0.959 10 0 DCAERO CCN(CC)S(=O)(=O)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000073178121 158053789 /nfs/dbraw/zinc/05/37/89/158053789.db2.gz GFIFYCXEKWZOHC-UHFFFAOYSA-N 1 0 317.455 0.355 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)N3CCC[N@@H+](C)CC3)nc2n1 ZINC000075874980 158063018 /nfs/dbraw/zinc/06/30/18/158063018.db2.gz KMTBQIFSPJLXKR-UHFFFAOYSA-N 1 0 302.382 0.448 10 0 DCAERO CCCCNC(=O)NC(=O)CN1CC[NH+]([C@H](CC)CO)CC1 ZINC000075962907 158063419 /nfs/dbraw/zinc/06/34/19/158063419.db2.gz MZZZXPKQKXQPMT-CYBMUJFWSA-N 1 0 314.430 0.001 10 0 DCAERO NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085372815 158090364 /nfs/dbraw/zinc/09/03/64/158090364.db2.gz XBWOCRSFUMGDIF-STQMWFEESA-N 1 0 311.407 0.120 10 0 DCAERO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC1CC(O)C1 ZINC000091490477 158108164 /nfs/dbraw/zinc/10/81/64/158108164.db2.gz XLNNHHOYCREPGJ-UHFFFAOYSA-N 1 0 314.407 0.416 10 0 DCAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000093701169 158120839 /nfs/dbraw/zinc/12/08/39/158120839.db2.gz CMVIUOCARIPPNU-ZIAGYGMSSA-N 1 0 304.456 0.895 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000093701196 158121121 /nfs/dbraw/zinc/12/11/21/158121121.db2.gz OMYMEYZVORQTKK-UONOGXRCSA-N 1 0 304.456 0.895 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000105807663 158130621 /nfs/dbraw/zinc/13/06/21/158130621.db2.gz BVAWFWBSSVCROZ-CQSZACIVSA-N 1 0 314.393 0.941 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)N(C)C(C)C)C2)CC1 ZINC000106894136 158134131 /nfs/dbraw/zinc/13/41/31/158134131.db2.gz DUQWEPJGIOENIB-AWEZNQCLSA-N 1 0 318.487 0.283 10 0 DCAERO CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113613971 158148612 /nfs/dbraw/zinc/14/86/12/158148612.db2.gz CUHOQHQAUHEQOZ-RYUDHWBXSA-N 1 0 303.428 0.299 10 0 DCAERO CN(C)C(=O)C1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000113631324 158149060 /nfs/dbraw/zinc/14/90/60/158149060.db2.gz IJHFSXVBFKMUNN-ZDUSSCGKSA-N 1 0 310.442 0.981 10 0 DCAERO CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788639 158167302 /nfs/dbraw/zinc/16/73/02/158167302.db2.gz KNMYNCIRRSFOHQ-VXGBXAGGSA-N 1 0 300.403 0.003 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117468555 158172209 /nfs/dbraw/zinc/17/22/09/158172209.db2.gz LSHSEPZOWLLWQD-AWEZNQCLSA-N 1 0 300.447 0.690 10 0 DCAERO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000118106298 158176165 /nfs/dbraw/zinc/17/61/65/158176165.db2.gz NCYCTIRQTBNYAS-ZDUSSCGKSA-N 1 0 318.377 0.195 10 0 DCAERO Cn1ccnc1C[C@H]1CCCN(C(=O)CSCC(N)=O)C1 ZINC000120686831 158202671 /nfs/dbraw/zinc/20/26/71/158202671.db2.gz HKCIUPMFPIOGIQ-LLVKDONJSA-N 1 0 310.423 0.420 10 0 DCAERO C[N@H+](C[C@H](O)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000121482894 158211754 /nfs/dbraw/zinc/21/17/54/158211754.db2.gz KPMVNDZLBOOKAT-VIFPVBQESA-N 1 0 304.334 0.265 10 0 DCAERO COCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000122794743 158223714 /nfs/dbraw/zinc/22/37/14/158223714.db2.gz JJUPSQICDQHSMC-MGPQQGTHSA-N 1 0 311.426 0.422 10 0 DCAERO CC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000123654291 158233172 /nfs/dbraw/zinc/23/31/72/158233172.db2.gz UKXDGCIKTZXNNO-UHFFFAOYSA-N 1 0 320.798 0.999 10 0 DCAERO COc1ccc([C@H]2C[C@@H](C)N(C(=O)CNC(=O)C[NH3+])C2)cc1 ZINC000124962475 158249256 /nfs/dbraw/zinc/24/92/56/158249256.db2.gz RXNMXTGAKDQYHS-YPMHNXCESA-N 1 0 305.378 0.475 10 0 DCAERO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000125931339 158260760 /nfs/dbraw/zinc/26/07/60/158260760.db2.gz PTPULPKHYWYQPH-GJZGRUSLSA-N 1 0 301.390 0.556 10 0 DCAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000125930731 158261072 /nfs/dbraw/zinc/26/10/72/158261072.db2.gz PTPULPKHYWYQPH-HUUCEWRRSA-N 1 0 301.390 0.556 10 0 DCAERO Cn1cnnc1SCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127397137 158273057 /nfs/dbraw/zinc/27/30/57/158273057.db2.gz QTNKARBITRPHAI-LBPRGKRZSA-N 1 0 309.439 0.852 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000133768698 158321628 /nfs/dbraw/zinc/32/16/28/158321628.db2.gz XTKBJVAAWLMIAO-AWEZNQCLSA-N 1 0 311.407 0.452 10 0 DCAERO C[NH2+][C@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000134199048 158323924 /nfs/dbraw/zinc/32/39/24/158323924.db2.gz ZMZGOUKARPTIIW-LBPRGKRZSA-N 1 0 302.382 0.494 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000136662277 158342659 /nfs/dbraw/zinc/34/26/59/158342659.db2.gz MPHVSGBOZVYVEI-LBPRGKRZSA-N 1 0 312.414 0.050 10 0 DCAERO [NH3+][C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000137471630 158346523 /nfs/dbraw/zinc/34/65/23/158346523.db2.gz OULVFXAVIMQEAY-NSHDSACASA-N 1 0 305.403 0.979 10 0 DCAERO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000162755577 158362218 /nfs/dbraw/zinc/36/22/18/158362218.db2.gz CDGMBQRDWNZQCC-QRQYBIJMSA-N 1 0 316.467 0.951 10 0 DCAERO COCC[NH2+]CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000167972486 158370936 /nfs/dbraw/zinc/37/09/36/158370936.db2.gz VDRHZXZSYXJMJC-INIZCTEOSA-N 1 0 321.421 0.100 10 0 DCAERO Cn1ccnc1CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000171600293 158383948 /nfs/dbraw/zinc/38/39/48/158383948.db2.gz DWIUSLUEIZLFKK-UHFFFAOYSA-N 1 0 300.428 0.353 10 0 DCAERO CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171641949 158385736 /nfs/dbraw/zinc/38/57/36/158385736.db2.gz QYKAGCQDCAWGRP-LSDHHAIUSA-N 1 0 323.437 0.568 10 0 DCAERO CCOC(=O)N1CCN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171643331 158385870 /nfs/dbraw/zinc/38/58/70/158385870.db2.gz SLSPKLDUMRQSRJ-CQSZACIVSA-N 1 0 324.425 0.067 10 0 DCAERO Cc1c([C@@H](C)NC(=O)NCC2CC[NH+](CCO)CC2)cnn1C ZINC000171901953 158388868 /nfs/dbraw/zinc/38/88/68/158388868.db2.gz RZSRVJRIAFWXBJ-GFCCVEGCSA-N 1 0 323.441 0.793 10 0 DCAERO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2 ZINC000172040727 158390268 /nfs/dbraw/zinc/39/02/68/158390268.db2.gz XCOVQMJXOVWHNO-RYUDHWBXSA-N 1 0 306.414 0.501 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000172537833 158395680 /nfs/dbraw/zinc/39/56/80/158395680.db2.gz YPUONMPQENWNEQ-UHFFFAOYSA-N 1 0 316.405 0.898 10 0 DCAERO O=C(CNC(=O)c1ccccn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000172536422 158395700 /nfs/dbraw/zinc/39/57/00/158395700.db2.gz AHSVLNAKTMVEOM-CYBMUJFWSA-N 1 0 302.378 0.508 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000172542219 158395913 /nfs/dbraw/zinc/39/59/13/158395913.db2.gz GAEXXOUAKGQRKZ-CQSZACIVSA-N 1 0 322.453 0.236 10 0 DCAERO CCc1nnc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C ZINC000172659230 158397350 /nfs/dbraw/zinc/39/73/50/158397350.db2.gz LZCOJVJOKUCPGM-ZDUSSCGKSA-N 1 0 320.441 0.116 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000174813235 158420527 /nfs/dbraw/zinc/42/05/27/158420527.db2.gz YQZJEAHDZYYHLW-HNNXBMFYSA-N 1 0 306.406 0.817 10 0 DCAERO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000179184453 158469946 /nfs/dbraw/zinc/46/99/46/158469946.db2.gz FASBAEQUVXIGQJ-DZGCQCFKSA-N 1 0 303.406 0.883 10 0 DCAERO C[C@@H](C[NH+]1CCC(Cn2cncn2)CC1)CS(C)(=O)=O ZINC000186243760 158528541 /nfs/dbraw/zinc/52/85/41/158528541.db2.gz VTRXKHNMCBKFMD-LBPRGKRZSA-N 1 0 300.428 0.671 10 0 DCAERO C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000230848029 158625323 /nfs/dbraw/zinc/62/53/23/158625323.db2.gz LFHHQPYOORSYMI-BDAKNGLRSA-N 1 0 306.819 0.740 10 0 DCAERO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCO2)n1 ZINC000261619128 158723246 /nfs/dbraw/zinc/72/32/46/158723246.db2.gz AOGZDMZWIDRPEM-RBSFLKMASA-N 1 0 321.425 0.497 10 0 DCAERO [NH3+][C@H](C(=O)NCCC(=O)N1CCCCCC1)C1CCOCC1 ZINC000261840213 158743754 /nfs/dbraw/zinc/74/37/54/158743754.db2.gz QPHFQPHJHKOFDJ-HNNXBMFYSA-N 1 0 311.426 0.649 10 0 DCAERO NC(=O)CNC(=O)c1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261834096 158743808 /nfs/dbraw/zinc/74/38/08/158743808.db2.gz JZSIPXKSTUWXQN-NSHDSACASA-N 1 0 318.377 0.230 10 0 DCAERO COC(=O)COc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261869719 158747552 /nfs/dbraw/zinc/74/75/52/158747552.db2.gz NZIPRIQEILHERD-UHFFFAOYSA-N 1 0 308.334 0.685 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@@H]1N1CCOCC1 ZINC000261891140 158750263 /nfs/dbraw/zinc/75/02/63/158750263.db2.gz CBIOUDZMJJQWBG-KFWWJZLASA-N 1 0 307.438 0.555 10 0 DCAERO CC1(C)CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC[C@H]1[NH3+] ZINC000261951255 158757350 /nfs/dbraw/zinc/75/73/50/158757350.db2.gz YZNWNPJSHLSMPT-VHSXEESVSA-N 1 0 321.343 0.983 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc(Br)c1 ZINC000262068212 158769131 /nfs/dbraw/zinc/76/91/31/158769131.db2.gz BJAXOIMEGXRHKT-SFYZADRCSA-N 1 0 305.197 0.821 10 0 DCAERO [NH3+]CC1(C(=O)NC[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000262077393 158770651 /nfs/dbraw/zinc/77/06/51/158770651.db2.gz GRUQAFUHHAFQSX-GFCCVEGCSA-N 1 0 306.362 0.698 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCC2)c(F)c1 ZINC000262115033 158774182 /nfs/dbraw/zinc/77/41/82/158774182.db2.gz FOFTUHAGRJEAIG-DOMZBBRYSA-N 1 0 307.369 0.736 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000262150377 158779304 /nfs/dbraw/zinc/77/93/04/158779304.db2.gz HQSVHCDAVJADCS-MWLCHTKSSA-N 1 0 304.268 0.895 10 0 DCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000262148493 158779394 /nfs/dbraw/zinc/77/93/94/158779394.db2.gz HPKZBWRGZMCSBQ-MNOVXSKESA-N 1 0 310.350 0.023 10 0 DCAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262209225 158785136 /nfs/dbraw/zinc/78/51/36/158785136.db2.gz IRYNYNXASFNSOF-UEEZHKSASA-N 1 0 317.389 0.591 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000262218876 158786627 /nfs/dbraw/zinc/78/66/27/158786627.db2.gz JJRGVXQXEVEEPO-TZMCWYRMSA-N 1 0 303.362 0.345 10 0 DCAERO CSc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1NC(C)=O ZINC000262253800 158790844 /nfs/dbraw/zinc/79/08/44/158790844.db2.gz LSPZPNJMJSEHGJ-YPMHNXCESA-N 1 0 323.418 0.677 10 0 DCAERO COc1ccc(OC)c2c1CN(C(=O)[C@@H](C)C1C[NH2+]C1)C[C@H]2O ZINC000262288589 158792918 /nfs/dbraw/zinc/79/29/18/158792918.db2.gz YFXNSQJTKJMWBO-GXFFZTMASA-N 1 0 320.389 0.935 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000262294753 158793536 /nfs/dbraw/zinc/79/35/36/158793536.db2.gz NGJLQCLWTVJOPX-INIZCTEOSA-N 1 0 322.405 0.972 10 0 DCAERO Cc1ccccc1C1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC000262405402 158810227 /nfs/dbraw/zinc/81/02/27/158810227.db2.gz YWBIBTCJLTZYBS-ZBFHGGJFSA-N 1 0 318.417 0.740 10 0 DCAERO Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000262478146 158816631 /nfs/dbraw/zinc/81/66/31/158816631.db2.gz XQFAVIXXKBSLTP-SCRDCRAPSA-N 1 0 321.425 0.971 10 0 DCAERO CCOc1c(OC)cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263243112 158865007 /nfs/dbraw/zinc/86/50/07/158865007.db2.gz OXJIGUJFZHYUDN-OLZOCXBDSA-N 1 0 310.394 0.772 10 0 DCAERO Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328649485 159017613 /nfs/dbraw/zinc/01/76/13/159017613.db2.gz ASQRLEIOEPNBJP-GFCCVEGCSA-N 1 0 304.398 0.336 10 0 DCAERO CC(C)C1([NH2+][C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328800791 159030929 /nfs/dbraw/zinc/03/09/29/159030929.db2.gz YTGLUUXTDCOTNG-VXGBXAGGSA-N 1 0 302.440 0.799 10 0 DCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000328985049 159049992 /nfs/dbraw/zinc/04/99/92/159049992.db2.gz SZSAJUFCLWWHBW-JHJVBQTASA-N 1 0 321.425 0.213 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)[N@H+](C)C1 ZINC000329102449 159061767 /nfs/dbraw/zinc/06/17/67/159061767.db2.gz CYPWAJSMGAMKDV-AGIUHOORSA-N 1 0 320.393 0.982 10 0 DCAERO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329274108 159078334 /nfs/dbraw/zinc/07/83/34/159078334.db2.gz KHNHDSZALVBUAK-CHWSQXEVSA-N 1 0 302.440 0.959 10 0 DCAERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000329375633 159086766 /nfs/dbraw/zinc/08/67/66/159086766.db2.gz NYIXKLBNMMIUGI-CQSZACIVSA-N 1 0 309.410 0.180 10 0 DCAERO C[C@@H]1OCCC[C@@H]1c1nc(CC(=O)N2CCN(C)CC2)no1 ZINC000329674321 159110765 /nfs/dbraw/zinc/11/07/65/159110765.db2.gz OLZUPPFVCZTFHG-RYUDHWBXSA-N 1 0 308.382 0.669 10 0 DCAERO CC1CCN(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000329765621 159118529 /nfs/dbraw/zinc/11/85/29/159118529.db2.gz XDXHAMGATJTKBD-AWEZNQCLSA-N 1 0 317.455 0.416 10 0 DCAERO C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+]2CCC1CC2)n1cccn1 ZINC000329891685 159126630 /nfs/dbraw/zinc/12/66/30/159126630.db2.gz IFKGSTCZNUSFDC-ZDUSSCGKSA-N 1 0 319.409 0.209 10 0 DCAERO C[NH+](C)CCOC1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000330019944 159136314 /nfs/dbraw/zinc/13/63/14/159136314.db2.gz VVTFKPCEPXSTSU-UHFFFAOYSA-N 1 0 317.393 0.912 10 0 DCAERO C[C@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)N1CCOCC1 ZINC000330186608 159148881 /nfs/dbraw/zinc/14/88/81/159148881.db2.gz SEFGQMMLCZESCW-GDBMZVCRSA-N 1 0 319.405 0.920 10 0 DCAERO Cc1n[nH]cc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000330308228 159158459 /nfs/dbraw/zinc/15/84/59/159158459.db2.gz SQINYIGSFLXIMF-HIFRSBDPSA-N 1 0 302.382 0.822 10 0 DCAERO COC(=O)[C@@H]1CC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000368619121 159406229 /nfs/dbraw/zinc/40/62/29/159406229.db2.gz NNZMLLRVTNSRFR-NWANDNLSSA-N 1 0 324.421 0.803 10 0 DCAERO CC[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000407990363 160004558 /nfs/dbraw/zinc/00/45/58/160004558.db2.gz NOYAAPTWDNWNPE-KGLIPLIRSA-N 1 0 319.471 0.494 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)[N@H+](C)C1 ZINC000408036807 160018613 /nfs/dbraw/zinc/01/86/13/160018613.db2.gz XHQSKRZSFSYTBP-RDBSUJKOSA-N 1 0 311.426 0.469 10 0 DCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049892 160023718 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/nfs/dbraw/zinc/12/44/02/416124402.db2.gz SFKUGPBDVVRNGB-ZDUSSCGKSA-N 1 0 306.410 0.846 10 0 DCAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCN2CCOC2=O)[C@@H](C)C1 ZINC000176583049 416129608 /nfs/dbraw/zinc/12/96/08/416129608.db2.gz WTLBXJGXFJDVEZ-STQMWFEESA-N 1 0 312.414 0.857 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000176714372 416133392 /nfs/dbraw/zinc/13/33/92/416133392.db2.gz NDRKZAYWQDUKPD-LBPRGKRZSA-N 1 0 305.444 0.068 10 0 DCAERO CCN1CCO[C@@H](C(=O)NC[C@H](O)c2ccccc2OC)C1 ZINC000177657219 416149441 /nfs/dbraw/zinc/14/94/41/416149441.db2.gz GLKGEWFVGPUECB-DZGCQCFKSA-N 1 0 308.378 0.566 10 0 DCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cn[nH]c1 ZINC000357918803 416153146 /nfs/dbraw/zinc/15/31/46/416153146.db2.gz MSFIAPFKZNDERW-CYBMUJFWSA-N 1 0 308.430 0.277 10 0 DCAERO Cn1cnc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000178727099 416170574 /nfs/dbraw/zinc/17/05/74/416170574.db2.gz MSHOEOSXQBYBEY-CQSZACIVSA-N 1 0 305.426 0.662 10 0 DCAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]2CN3CCN2CC3)s1 ZINC000178732219 416171239 /nfs/dbraw/zinc/17/12/39/416171239.db2.gz CXZFVAVOSLIGJU-VXGBXAGGSA-N 1 0 324.450 0.889 10 0 DCAERO CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]1c1cccnc1 ZINC000178751743 416172943 /nfs/dbraw/zinc/17/29/43/416172943.db2.gz LVXWXIGWHPJYPS-KCQAQPDRSA-N 1 0 302.378 0.469 10 0 DCAERO CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000178840935 416174112 /nfs/dbraw/zinc/17/41/12/416174112.db2.gz DOKNJNGSGFCGFT-LBPRGKRZSA-N 1 0 307.398 0.642 10 0 DCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329520683 416174181 /nfs/dbraw/zinc/17/41/81/416174181.db2.gz FLQMBBAVMQYNEM-BARDWOONSA-N 1 0 323.437 0.707 10 0 DCAERO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000358058197 416181129 /nfs/dbraw/zinc/18/11/29/416181129.db2.gz BYQZMBQYZIZXEE-HNNXBMFYSA-N 1 0 308.382 0.004 10 0 DCAERO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000358056352 416181827 /nfs/dbraw/zinc/18/18/27/416181827.db2.gz AZXNIGWKMPOFDX-OAHLLOKOSA-N 1 0 302.334 0.533 10 0 DCAERO Cn1c(CN2CC[C@H](N3CCOCC3)C2)nnc1C1CCC1 ZINC000181386559 416206877 /nfs/dbraw/zinc/20/68/77/416206877.db2.gz WQWKVXUCJUCXFP-AWEZNQCLSA-N 1 0 305.426 0.989 10 0 DCAERO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358198506 416210383 /nfs/dbraw/zinc/21/03/83/416210383.db2.gz NIMBEQMDYKYLMS-ZDUSSCGKSA-N 1 0 318.826 0.993 10 0 DCAERO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000182037332 416212765 /nfs/dbraw/zinc/21/27/65/416212765.db2.gz VTMXWVUWIKGJOZ-CYBMUJFWSA-N 1 0 320.437 0.877 10 0 DCAERO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358329606 416223497 /nfs/dbraw/zinc/22/34/97/416223497.db2.gz WEQMRJADXBQMNF-DNDYEEKYSA-N 1 0 323.437 0.349 10 0 DCAERO C[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1CO ZINC000189501641 416266719 /nfs/dbraw/zinc/26/67/19/416266719.db2.gz QGLLALVGZNBNPV-HIFRSBDPSA-N 1 0 318.421 0.676 10 0 DCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(F)(F)CN ZINC000190204123 416276372 /nfs/dbraw/zinc/27/63/72/416276372.db2.gz NVOWUQFTEGYPQK-CYBMUJFWSA-N 1 0 311.332 0.670 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000183144308 416235894 /nfs/dbraw/zinc/23/58/94/416235894.db2.gz IZEACOGYFWYGBS-UHFFFAOYSA-N 1 0 312.391 0.812 10 0 DCAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183161526 416237157 /nfs/dbraw/zinc/23/71/57/416237157.db2.gz CSSPIWMCNZTFOO-NSHDSACASA-N 1 0 301.350 0.979 10 0 DCAERO CN1CCN(c2ncc(C[NH2+]CC3(C)OCCCO3)cn2)CC1 ZINC000192247893 416303691 /nfs/dbraw/zinc/30/36/91/416303691.db2.gz HRZIQGNVVUUFCC-UHFFFAOYSA-N 1 0 321.425 0.471 10 0 DCAERO CCC[NH+]1CCC(CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000190438215 416279232 /nfs/dbraw/zinc/27/92/32/416279232.db2.gz OOBYHQHEHSQNHH-UONOGXRCSA-N 1 0 315.458 0.882 10 0 DCAERO COCC[N@@H+]1CCN(Cc2nnnn2CC(F)(F)F)C[C@@H]1C ZINC000190866331 416282835 /nfs/dbraw/zinc/28/28/35/416282835.db2.gz FLKBRGSVGVBRCC-JTQLQIEISA-N 1 0 322.335 0.388 10 0 DCAERO CC(=O)NC1CN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000191731552 416289229 /nfs/dbraw/zinc/28/92/29/416289229.db2.gz BMECOWVYQTVGRL-QGZVFWFLSA-N 1 0 303.406 0.226 10 0 DCAERO C[NH+](C)C[C@](C)(O)CNC(=O)c1snnc1C(C)(C)C ZINC000191961240 416293285 /nfs/dbraw/zinc/29/32/85/416293285.db2.gz QUUYVNJFCHGXTH-CYBMUJFWSA-N 1 0 300.428 0.878 10 0 DCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000247440484 416332714 /nfs/dbraw/zinc/33/27/14/416332714.db2.gz RYOPFROOIRTSQV-RBSFLKMASA-N 1 0 312.458 0.735 10 0 DCAERO CC(=O)N1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247558381 416332990 /nfs/dbraw/zinc/33/29/90/416332990.db2.gz ZWMTWLSBUQSCHS-DOMZBBRYSA-N 1 0 308.426 0.875 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248869788 416333835 /nfs/dbraw/zinc/33/38/35/416333835.db2.gz BMSLENKTZRRWAE-XUXIUFHCSA-N 1 0 302.440 0.910 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000253549110 416334707 /nfs/dbraw/zinc/33/47/07/416334707.db2.gz OFLPPWOGJLNDNX-MCIONIFRSA-N 1 0 308.426 0.862 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1cncc(Br)c1 ZINC000261561557 416335670 /nfs/dbraw/zinc/33/56/70/416335670.db2.gz FXPRJWRRANMUKC-UHFFFAOYSA-N 1 0 313.199 0.712 10 0 DCAERO CC(C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261846885 416336058 /nfs/dbraw/zinc/33/60/58/416336058.db2.gz RAYUFMUNEDSKKI-LSDHHAIUSA-N 1 0 313.442 0.213 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262441422 416336822 /nfs/dbraw/zinc/33/68/22/416336822.db2.gz UWDUNXYXYHFFEL-HUUCEWRRSA-N 1 0 319.430 0.911 10 0 DCAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)CN1CCOCC1=O)c1ccco1 ZINC000359546909 416350321 /nfs/dbraw/zinc/35/03/21/416350321.db2.gz QVGIUADFNVYDLG-STQMWFEESA-N 1 0 323.393 0.684 10 0 DCAERO COC(=O)[C@@H](C1CC1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000359579093 416351507 /nfs/dbraw/zinc/35/15/07/416351507.db2.gz DPOVPPGNCZYYAL-MRXNPFEDSA-N 1 0 323.437 0.568 10 0 DCAERO C[C@H](O)C1CCN(CC(O)C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000194510219 416323532 /nfs/dbraw/zinc/32/35/32/416323532.db2.gz KKJPLUJOWDJWDY-KBPBESRZSA-N 1 0 314.470 0.533 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)C[C@@H]3CSCC[NH2+]3)C2)cn1 ZINC000237690621 416328580 /nfs/dbraw/zinc/32/85/80/416328580.db2.gz KYAJKUATFWNLHV-QWHCGFSZSA-N 1 0 323.466 0.600 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2c(cnn2C)c1O ZINC000245609924 416331307 /nfs/dbraw/zinc/33/13/07/416331307.db2.gz NQVVPYQZKMHIBI-MNOVXSKESA-N 1 0 315.377 0.983 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000245894693 416331455 /nfs/dbraw/zinc/33/14/55/416331455.db2.gz PPOBJZBRXBCONK-UPJWGTAASA-N 1 0 304.398 0.991 10 0 DCAERO Cc1ccc(N2CCC[N@@H+]([C@H]3CCCCNC3=O)CC2)nn1 ZINC000245928728 416331467 /nfs/dbraw/zinc/33/14/67/416331467.db2.gz ULTXIZQWLBXHET-AWEZNQCLSA-N 1 0 303.410 0.966 10 0 DCAERO CC(C)c1nn(C)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000361679484 416474224 /nfs/dbraw/zinc/47/42/24/416474224.db2.gz WHAMUIWKZZHSNA-UHFFFAOYSA-N 1 0 307.398 0.692 10 0 DCAERO Cn1cc(OCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cn1 ZINC000583764961 416481833 /nfs/dbraw/zinc/48/18/33/416481833.db2.gz GPWBJPZSSUDNJZ-UHFFFAOYSA-N 1 0 318.381 0.901 10 0 DCAERO CCNC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000535757506 416528534 /nfs/dbraw/zinc/52/85/34/416528534.db2.gz MLBHTNKCGQVYSA-NEPJUHHUSA-N 1 0 314.455 0.344 10 0 DCAERO CC(C)[NH+](CCNC(=O)[C@](C)(O)Cn1ccccc1=O)C(C)C ZINC000436296724 416554478 /nfs/dbraw/zinc/55/44/78/416554478.db2.gz KRBYAJUTANFGRG-QGZVFWFLSA-N 1 0 323.437 0.834 10 0 DCAERO C[C@@H](CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)[NH+](C)C ZINC000459049133 416519887 /nfs/dbraw/zinc/51/98/87/416519887.db2.gz YQFRBMOFLXZJJV-BFHYXJOUSA-N 1 0 313.442 0.803 10 0 DCAERO CS(=O)(=O)NCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000365072782 416598514 /nfs/dbraw/zinc/59/85/14/416598514.db2.gz RTYFLUZWOLDPLT-HNNXBMFYSA-N 1 0 312.435 0.605 10 0 DCAERO NC(=O)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000368569736 416669555 /nfs/dbraw/zinc/66/95/55/416669555.db2.gz ODSUTCAKXOXMMB-GJZGRUSLSA-N 1 0 318.421 0.218 10 0 DCAERO COC(=O)[C@@H]1CC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000368619120 416675330 /nfs/dbraw/zinc/67/53/30/416675330.db2.gz NNZMLLRVTNSRFR-BPLDGKMQSA-N 1 0 324.421 0.803 10 0 DCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)CCCO)CC1 ZINC000442108596 416685948 /nfs/dbraw/zinc/68/59/48/416685948.db2.gz BAJXIPUMVQUYKL-AWEZNQCLSA-N 1 0 300.447 0.284 10 0 DCAERO Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000369074387 416721966 /nfs/dbraw/zinc/72/19/66/416721966.db2.gz FZNZIJQQHHHOPW-CQSZACIVSA-N 1 0 319.453 0.546 10 0 DCAERO O=C(Cc1cccc(O)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369087324 416722103 /nfs/dbraw/zinc/72/21/03/416722103.db2.gz GWKGADNJSPESLR-CVEARBPZSA-N 1 0 304.390 0.992 10 0 DCAERO CC(=O)N1CCC(NC(=O)CN2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832371 416757072 /nfs/dbraw/zinc/75/70/72/416757072.db2.gz DRGCLXSPYBEDMK-CQSZACIVSA-N 1 0 310.442 0.317 10 0 DCAERO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CCO2 ZINC000558702494 416788851 /nfs/dbraw/zinc/78/88/51/416788851.db2.gz QNUQZXAVGOGBBV-VGWMRTNUSA-N 1 0 315.410 0.423 10 0 DCAERO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000445916490 416906301 /nfs/dbraw/zinc/90/63/01/416906301.db2.gz WVFITYRTICCYEP-UHFFFAOYSA-N 1 0 305.378 0.970 10 0 DCAERO O=C(Cn1cnnn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371531093 416918674 /nfs/dbraw/zinc/91/86/74/416918674.db2.gz RYOQBMAIFDXTGA-AWEZNQCLSA-N 1 0 306.414 0.788 10 0 DCAERO [NH3+]C1(CNS(=O)(=O)c2cc(F)ccc2F)CCOCC1 ZINC000624386750 417024385 /nfs/dbraw/zinc/02/43/85/417024385.db2.gz VYOCRBBTRRUKLO-UHFFFAOYSA-N 1 0 306.334 0.751 10 0 DCAERO CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375558528 417005747 /nfs/dbraw/zinc/00/57/47/417005747.db2.gz RSINSDBDGXRGNO-MJBXVCDLSA-N 1 0 312.458 0.878 10 0 DCAERO Nc1nc(C2CC2)ncc1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000376733294 417037812 /nfs/dbraw/zinc/03/78/12/417037812.db2.gz HWMYEQDOHSHJRC-LBPRGKRZSA-N 1 0 317.393 0.529 10 0 DCAERO C[NH+](C)CCCCNC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000522171150 417052824 /nfs/dbraw/zinc/05/28/24/417052824.db2.gz RNQASYPPKBAAJM-UHFFFAOYSA-N 1 0 313.423 0.335 10 0 DCAERO CC(=O)N[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000448599859 417086668 /nfs/dbraw/zinc/08/66/68/417086668.db2.gz ADESCUILEAQLBM-CQSZACIVSA-N 1 0 312.458 0.243 10 0 DCAERO CCO[C@@H]1CN(S(=O)(=O)c2c(C)n[nH]c2C)C[C@H]1C[NH3+] ZINC000405861511 417122808 /nfs/dbraw/zinc/12/28/08/417122808.db2.gz NSRBYIBXIRTOME-GHMZBOCLSA-N 1 0 302.400 0.011 10 0 DCAERO CNC(=O)NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408047100 417137135 /nfs/dbraw/zinc/13/71/35/417137135.db2.gz ZADZALWRKHVXTA-YNEHKIRRSA-N 1 0 313.398 0.084 10 0 DCAERO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000408142849 417143469 /nfs/dbraw/zinc/14/34/69/417143469.db2.gz YMAXFGDTNSRUCY-AVGNSLFASA-N 1 0 317.455 0.255 10 0 DCAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC12COC2 ZINC000449357481 417146325 /nfs/dbraw/zinc/14/63/25/417146325.db2.gz DMBQUHTVBAIZIT-AWEZNQCLSA-N 1 0 318.373 0.797 10 0 DCAERO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000408374520 417156020 /nfs/dbraw/zinc/15/60/20/417156020.db2.gz LRKHHFUFAILQGT-KBPBESRZSA-N 1 0 307.398 0.217 10 0 DCAERO CC(=O)N1CCC[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000525994544 417168347 /nfs/dbraw/zinc/16/83/47/417168347.db2.gz JPWZPEDZKVCKMC-AWEZNQCLSA-N 1 0 319.409 0.473 10 0 DCAERO CC(C)c1nc(N(C)C)nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000450792927 417269394 /nfs/dbraw/zinc/26/93/94/417269394.db2.gz LCKYWXFENZPMOU-BETUJISGSA-N 1 0 322.457 0.952 10 0 DCAERO CCS(=O)(=O)C1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621668524 417288008 /nfs/dbraw/zinc/28/80/08/417288008.db2.gz HQEMFGCZMXXGQN-LBPRGKRZSA-N 1 0 302.440 0.850 10 0 DCAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000528056646 417299053 /nfs/dbraw/zinc/29/90/53/417299053.db2.gz JOKZGBNNZKAQMJ-RYUDHWBXSA-N 1 0 305.444 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/nfs/dbraw/zinc/39/36/39/287393639.db2.gz LWSZVZCJLFIHDU-UONOGXRCSA-N 1 0 322.471 0.520 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000532424322 417677633 /nfs/dbraw/zinc/67/76/33/417677633.db2.gz GIRMRZGKNAKVCC-HIFRSBDPSA-N 1 0 310.442 0.979 10 0 DCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000639940421 417764531 /nfs/dbraw/zinc/76/45/31/417764531.db2.gz CAZGWHQGTHIHEF-UPJWGTAASA-N 1 0 318.373 0.489 10 0 DCAERO COc1cccc([C@@H](CNC(=O)[C@@H]2CNC(=O)C2)[NH+](C)C)c1 ZINC000194860628 261148815 /nfs/dbraw/zinc/14/88/15/261148815.db2.gz WKNITMMEVNPHLD-GXTWGEPZSA-N 1 0 305.378 0.550 10 0 DCAERO COc1cccc(OC)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262756025 261167241 /nfs/dbraw/zinc/16/72/41/261167241.db2.gz HYFMZEJMNHEJSE-WDEREUQCSA-N 1 0 314.407 0.980 10 0 DCAERO CO[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000358824122 261703499 /nfs/dbraw/zinc/70/34/99/261703499.db2.gz JSNSFXLREDCSMW-JHJVBQTASA-N 1 0 313.442 0.763 10 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/nfs/dbraw/zinc/44/25/29/534442529.db2.gz RLAIOUWDZCROOA-KPWCQOOUSA-N 1 0 321.421 0.713 10 0 DCAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000247073292 521668205 /nfs/dbraw/zinc/66/82/05/521668205.db2.gz GQQKRZHASZOBRD-LSDHHAIUSA-N 1 0 320.441 0.468 10 0 DCAERO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000262649334 522491712 /nfs/dbraw/zinc/49/17/12/522491712.db2.gz WUUQJIBMXACAFY-VHSXEESVSA-N 1 0 303.370 0.033 10 0 DCAERO CCc1ncc(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)cn1 ZINC000127702357 522562901 /nfs/dbraw/zinc/56/29/01/522562901.db2.gz VGPZLAKONGFROI-NSHDSACASA-N 1 0 307.398 0.824 10 0 DCAERO CN1CCN(c2ncc(C[N@H+](C)C[C@@H]3CCCO3)cn2)CC1 ZINC000128071432 523495568 /nfs/dbraw/zinc/49/55/68/523495568.db2.gz XXPYXPBTMBKOHZ-HNNXBMFYSA-N 1 0 305.426 0.839 10 0 DCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000246961626 524107672 /nfs/dbraw/zinc/10/76/72/524107672.db2.gz PPWXJKGOXXEJKP-OLZOCXBDSA-N 1 0 319.409 0.753 10 0 DCAERO COc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CCC[NH2+]2)cc1O ZINC000262105713 524139122 /nfs/dbraw/zinc/13/91/22/524139122.db2.gz FJYXYZCUKGGALO-OLZOCXBDSA-N 1 0 308.378 0.420 10 0 DCAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccnc1 ZINC000158184295 524558717 /nfs/dbraw/zinc/55/87/17/524558717.db2.gz WQPHYFILWPEXNJ-JSGCOSHPSA-N 1 0 304.394 0.610 10 0 DCAERO C[C@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246934825 524570206 /nfs/dbraw/zinc/57/02/06/524570206.db2.gz DVKLKQGSXBCOQB-HZSPNIEDSA-N 1 0 313.442 0.803 10 0 DCAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000156868169 524673813 /nfs/dbraw/zinc/67/38/13/524673813.db2.gz KNSGBBOMEQEKPM-AWEZNQCLSA-N 1 0 303.406 0.816 10 0 DCAERO C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000186483236 524950500 /nfs/dbraw/zinc/95/05/00/524950500.db2.gz XXQQWONQQLHVEH-NHYWBVRUSA-N 1 0 318.377 0.346 10 0 DCAERO C[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000158019069 524988528 /nfs/dbraw/zinc/98/85/28/524988528.db2.gz BCURDJWKFXOLFS-LLVKDONJSA-N 1 0 324.812 0.770 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190084148 525066962 /nfs/dbraw/zinc/06/69/62/525066962.db2.gz NNVOGPFEIHLDCR-NWDGAFQWSA-N 1 0 318.377 0.724 10 0 DCAERO C[C@@H](NC(N)=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262477860 525389103 /nfs/dbraw/zinc/38/91/03/525389103.db2.gz ZAPXTFWRZLHKKG-BXKDBHETSA-N 1 0 310.785 0.870 10 0 DCAERO Cc1nc(C)c(CCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000155664093 526708560 /nfs/dbraw/zinc/70/85/60/526708560.db2.gz HUDUUXMRHFJCHF-PHIMTYICSA-N 1 0 306.410 0.870 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)C1 ZINC000189171616 527001548 /nfs/dbraw/zinc/00/15/48/527001548.db2.gz KZPDZGBZSAADJL-GJZGRUSLSA-N 1 0 323.437 0.601 10 0 DCAERO CC1(CNS(=O)(=O)c2cccc(C(N)=O)c2)CC[NH2+]CC1 ZINC000193377600 527986343 /nfs/dbraw/zinc/98/63/43/527986343.db2.gz GTYOTNPYDFLJCT-UHFFFAOYSA-N 1 0 311.407 0.454 10 0 DCAERO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000157557836 528895010 /nfs/dbraw/zinc/89/50/10/528895010.db2.gz ICNVACTVVWHZOU-AWEZNQCLSA-N 1 0 300.447 0.689 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000175334849 529069235 /nfs/dbraw/zinc/06/92/35/529069235.db2.gz JJALGZLKXSPWTH-LLVKDONJSA-N 1 0 316.427 0.530 10 0 DCAERO CC[NH2+][C@H](CCn1cc(I)cn1)C(N)=O ZINC000070678728 545663236 /nfs/dbraw/zinc/66/32/36/545663236.db2.gz HEMQBHHJULVNGN-MRVPVSSYSA-N 1 0 322.150 0.341 10 0 DCAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)n1cc(I)cn1 ZINC000082802674 545696933 /nfs/dbraw/zinc/69/69/33/545696933.db2.gz WEIBBGJMODKMEY-RCOVLWMOSA-N 1 0 322.150 0.642 10 0 DCAERO O[C@@H]1CCCC[C@H]1[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120985193 545746367 /nfs/dbraw/zinc/74/63/67/545746367.db2.gz GPCJEVFHGASAEM-CHWSQXEVSA-N 1 0 302.382 0.550 10 0 DCAERO CCC[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)[NH+](C)C ZINC000161560545 545866648 /nfs/dbraw/zinc/86/66/48/545866648.db2.gz JAFUKBCKFPZWSO-RYUDHWBXSA-N 1 0 305.444 0.257 10 0 DCAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-n2cncn2)cc1 ZINC000181874660 545904573 /nfs/dbraw/zinc/90/45/73/545904573.db2.gz VSURFXYJNMKXEF-NSHDSACASA-N 1 0 309.395 0.597 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193399865 545931455 /nfs/dbraw/zinc/93/14/55/545931455.db2.gz SRDZJTPCDPCAKH-KBUPBQIOSA-N 1 0 309.410 0.053 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CC[C@H]1CCCO1 ZINC000246369309 545964563 /nfs/dbraw/zinc/96/45/63/545964563.db2.gz JAMXJMORHVJCCA-ZIAGYGMSSA-N 1 0 320.455 0.586 10 0 DCAERO CN(C)C(=O)CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261674693 545976764 /nfs/dbraw/zinc/97/67/64/545976764.db2.gz GIGRMKWCVXXSET-UONOGXRCSA-N 1 0 310.442 0.126 10 0 DCAERO Cc1nc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nn1-c1ccc(F)cc1 ZINC000262078633 545978313 /nfs/dbraw/zinc/97/83/13/545978313.db2.gz CHLVZNYCIPZGDF-GWCFXTLKSA-N 1 0 319.340 0.025 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccn1Cc1cccs1 ZINC000262092718 545978602 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O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262325250 545983914 /nfs/dbraw/zinc/98/39/14/545983914.db2.gz RTEXABTZJIFKEA-ZYHUDNBSSA-N 1 0 302.296 0.944 10 0 DCAERO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262363755 545984411 /nfs/dbraw/zinc/98/44/11/545984411.db2.gz VLMTZDHIAIZWTI-JQWIXIFHSA-N 1 0 318.295 0.824 10 0 DCAERO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2)n1 ZINC000262350222 545984512 /nfs/dbraw/zinc/98/45/12/545984512.db2.gz UKMIQXIEJNCWIE-GDBMZVCRSA-N 1 0 314.389 0.799 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000262417600 545985224 /nfs/dbraw/zinc/98/52/24/545985224.db2.gz ZTTFOLQQFZHSSZ-GXFFZTMASA-N 1 0 304.325 0.526 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262382377 545985237 /nfs/dbraw/zinc/98/52/37/545985237.db2.gz XEMXEGOBVKFCAF-HIFRSBDPSA-N 1 0 308.426 0.395 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000262417604 545985676 /nfs/dbraw/zinc/98/56/76/545985676.db2.gz ZTTFOLQQFZHSSZ-ZWNOBZJWSA-N 1 0 304.325 0.526 10 0 DCAERO CC(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000322127723 546034564 /nfs/dbraw/zinc/03/45/64/546034564.db2.gz SSHKGIGDSVIKRY-HZPDHXFCSA-N 1 0 322.453 0.141 10 0 DCAERO C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332790263 546061344 /nfs/dbraw/zinc/06/13/44/546061344.db2.gz WFIZUZRTZZOTOZ-UONOGXRCSA-N 1 0 306.414 0.936 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000333137778 546072937 /nfs/dbraw/zinc/07/29/37/546072937.db2.gz BVIPXXOPZPMZCO-NEPJUHHUSA-N 1 0 304.398 0.307 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1N1CCOCC1 ZINC000333677160 546088399 /nfs/dbraw/zinc/08/83/99/546088399.db2.gz OERFKZBXTDPSFJ-KLHDSHLOSA-N 1 0 324.469 0.737 10 0 DCAERO CC[NH2+][C@H](C(N)=O)[C@@H](C)n1cc(I)cn1 ZINC000710700664 548748990 /nfs/dbraw/zinc/74/89/90/548748990.db2.gz FGEHSNOBKPVFHH-SVRRBLITSA-N 1 0 322.150 0.512 10 0 DCAERO CC(C)(C)OC(=O)[C@H]1CCN(C2CC[NH2+]CC2)S1(=O)=O ZINC000725273218 548750175 /nfs/dbraw/zinc/75/01/75/548750175.db2.gz XRQOJKWVUHCLEV-LLVKDONJSA-N 1 0 304.412 0.484 10 0 DCAERO [NH3+]C[C@@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000178526954 661104591 /nfs/dbraw/zinc/10/45/91/661104591.db2.gz NMESREULGAHXTB-KRWDZBQOSA-N 1 0 316.449 0.611 10 0 DCAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC000888095470 661166786 /nfs/dbraw/zinc/16/67/86/661166786.db2.gz YZUGHQGQILHHEH-LUYZLQTOSA-N 1 0 321.425 0.333 10 0 DCAERO COCCN1CC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722503557 661283325 /nfs/dbraw/zinc/28/33/25/661283325.db2.gz WCUCOQZZPYHUIG-QWHCGFSZSA-N 1 0 315.414 0.848 10 0 DCAERO C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)S(C)(=O)=O ZINC000724097242 657959615 /nfs/dbraw/zinc/95/96/15/657959615.db2.gz UXRLPEVQKOKQGV-BQBZGAKWSA-N 1 0 313.288 0.958 10 0 DCAERO CN1CCOC[C@@H]1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724100094 657963031 /nfs/dbraw/zinc/96/30/31/657963031.db2.gz BTFAPKRPSKQTCG-IUCAKERBSA-N 1 0 306.275 0.855 10 0 DCAERO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000725040538 658042596 /nfs/dbraw/zinc/04/25/96/658042596.db2.gz CTFUXDUBVOBWIV-SNVBAGLBSA-N 1 0 315.464 0.498 10 0 DCAERO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262398966 658133775 /nfs/dbraw/zinc/13/37/75/658133775.db2.gz YKPUQIPXVGGIRB-SMDDNHRTSA-N 1 0 319.405 0.981 10 0 DCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724603949 658651386 /nfs/dbraw/zinc/65/13/86/658651386.db2.gz LDJSCBVDFPIAGJ-ITGHMWBKSA-N 1 0 303.424 0.736 10 0 DCAERO CCn1nccc1CC[N@@H+]1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000888077616 658720529 /nfs/dbraw/zinc/72/05/29/658720529.db2.gz LQAPTKMUEKBNLX-MRXNPFEDSA-N 1 0 318.425 0.644 10 0 DCAERO COc1ccc(OC)c([C@H](C)NS(=O)(=O)C2C[NH2+]C2)c1 ZINC000722213153 659367028 /nfs/dbraw/zinc/36/70/28/659367028.db2.gz PKGVFAMBCODLQW-VIFPVBQESA-N 1 0 300.380 0.656 10 0 DCAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000261729611 661579751 /nfs/dbraw/zinc/57/97/51/661579751.db2.gz FPVKGUAJGSXZBF-MRRJBJDNSA-N 1 0 321.421 0.352 10 0 DCAERO [NH3+][C@H](C(=O)NCCCN1CCCCCC1=O)C1CCOCC1 ZINC000261733763 661583530 /nfs/dbraw/zinc/58/35/30/661583530.db2.gz CYKYEKMJVIFJGU-HNNXBMFYSA-N 1 0 311.426 0.649 10 0 DCAERO CN(CC(=O)N(C)Cc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000261539626 662856542 /nfs/dbraw/zinc/85/65/42/662856542.db2.gz CWRKZVHNUGDQHE-UHFFFAOYSA-N 1 0 318.421 0.009 10 0 DCAERO Cc1nn(C)c(Cl)c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000729684520 662907273 /nfs/dbraw/zinc/90/72/73/662907273.db2.gz YANFPRJMCGQLHR-UHFFFAOYSA-N 1 0 320.846 0.897 10 0 DCAERO Cc1ccc2nnc(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c1 ZINC000911075084 663979735 /nfs/dbraw/zinc/97/97/35/663979735.db2.gz MMSIXFVBTPAZMO-CHWSQXEVSA-N 1 0 315.377 0.517 10 0 DCAERO C(c1nc([C@H]2CN3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578155 664536365 /nfs/dbraw/zinc/53/63/65/664536365.db2.gz XHQMTUXBQUBGFX-QJPTWQEYSA-N 1 0 310.423 0.853 10 0 DCAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000227694532 664537167 /nfs/dbraw/zinc/53/71/67/664537167.db2.gz GMYSURMLHYTAFJ-FRRDWIJNSA-N 1 0 307.460 0.694 10 0 DCAERO CNS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000230982187 664625470 /nfs/dbraw/zinc/62/54/70/664625470.db2.gz NRGWRXPSTZBGML-LLVKDONJSA-N 1 0 321.443 0.525 10 0 DCAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000173763203 664631235 /nfs/dbraw/zinc/63/12/35/664631235.db2.gz JIZTWWFRWQEFOT-GJZGRUSLSA-N 1 0 312.435 0.960 10 0 DCAERO [NH3+][C@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)C1CCOCC1 ZINC000261609456 664711317 /nfs/dbraw/zinc/71/13/17/664711317.db2.gz BBYNOZGCFXEMLU-INIZCTEOSA-N 1 0 319.405 0.795 10 0 DCAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000261543401 665399239 /nfs/dbraw/zinc/39/92/39/665399239.db2.gz HRMYWUPUZOBLAR-HZPDHXFCSA-N 1 0 303.406 0.756 10 0 DCAERO CO[C@H](CNC(=O)NCCNc1cc[nH+]cc1)C(F)(F)F ZINC000733663445 666793683 /nfs/dbraw/zinc/79/36/83/666793683.db2.gz YIALWYNBFPHKTQ-SNVBAGLBSA-N 1 0 306.288 0.792 10 0 DCAERO CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000702404426 666954619 /nfs/dbraw/zinc/95/46/19/666954619.db2.gz ZHDUHVOWLHXTJL-OCCSQVGLSA-N 1 0 307.394 0.514 10 0 DCAERO O=S(=O)(c1ccccc1NC[C@H]1C[NH2+]C[C@@H]1O)C(F)F ZINC000702858793 667005357 /nfs/dbraw/zinc/00/53/57/667005357.db2.gz JEDHWFZZOOPBJT-SCZZXKLOSA-N 1 0 306.334 0.675 10 0 DCAERO O=C(/C=C/c1ccc(Br)o1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702843004 667009814 /nfs/dbraw/zinc/00/98/14/667009814.db2.gz ZCSVZFFLCKGXSM-ZBIIHGBJSA-N 1 0 315.167 0.752 10 0 DCAERO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702846058 667010626 /nfs/dbraw/zinc/01/06/26/667010626.db2.gz PLTJQMIVZBFHCU-WCQYABFASA-N 1 0 310.398 0.738 10 0 DCAERO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cccc2c1OCO2 ZINC000708352507 667442634 /nfs/dbraw/zinc/44/26/34/667442634.db2.gz GCUTWYXJSBTDKC-UHFFFAOYSA-N 1 0 300.380 0.833 10 0 DCAERO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000709258744 667444947 /nfs/dbraw/zinc/44/49/47/667444947.db2.gz INVJTVBMWVTSAB-SNVBAGLBSA-N 1 0 317.231 0.729 10 0 DCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000709204712 667445000 /nfs/dbraw/zinc/44/50/00/667445000.db2.gz SYILQJQKSPFPNY-SDDRHHMPSA-N 1 0 304.412 0.009 10 0 DCAERO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)CS1 ZINC000709741267 667445039 /nfs/dbraw/zinc/44/50/39/667445039.db2.gz KFNVOHFSLILLTB-NEPJUHHUSA-N 1 0 308.469 0.522 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H](c2nccs2)C1 ZINC000710609567 667446978 /nfs/dbraw/zinc/44/69/78/667446978.db2.gz DWZVYCVEMOMIGA-MNOVXSKESA-N 1 0 317.436 0.251 10 0 DCAERO C[C@@H]1OCC[C@]1(O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710946218 667447325 /nfs/dbraw/zinc/44/73/25/667447325.db2.gz LOVBJSFIKNKHQP-NHYWBVRUSA-N 1 0 300.399 0.983 10 0 DCAERO Cn1nnc(CN2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)n1 ZINC000886062961 667728005 /nfs/dbraw/zinc/72/80/05/667728005.db2.gz CLFKFDQMMJDCFA-AWEZNQCLSA-N 1 0 317.397 0.320 10 0 DCAERO Cn1ccnc1[C@H]1[C@H](NC(=O)C[NH+](C)C)CCC(=O)N1C1CC1 ZINC000886095468 667731286 /nfs/dbraw/zinc/73/12/86/667731286.db2.gz XLDPIJWYLVOXFC-IUODEOHRSA-N 1 0 319.409 0.292 10 0 DCAERO CO[C@@H]1C[N@H+](Cc2nc(C)ccc2O)C[C@H]1c1cn(C)nn1 ZINC000886093748 667731726 /nfs/dbraw/zinc/73/17/26/667731726.db2.gz GHZHTNGTQQBZBM-XHDPSFHLSA-N 1 0 303.366 0.839 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccns2)C[C@H]1C(F)(F)F ZINC000717683176 667876008 /nfs/dbraw/zinc/87/60/08/667876008.db2.gz KMVVJFXWWKXIIY-NKWVEPMBSA-N 1 0 315.342 0.901 10 0 DCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccns2)C[C@@H]1C(F)(F)F ZINC000717683175 667876091 /nfs/dbraw/zinc/87/60/91/667876091.db2.gz KMVVJFXWWKXIIY-BQBZGAKWSA-N 1 0 315.342 0.901 10 0 DCAERO Cn1nccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717086548 668575924 /nfs/dbraw/zinc/57/59/24/668575924.db2.gz WFILEGYTVDLNGT-JGVFFNPUSA-N 1 0 312.317 0.320 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000042481274 669828435 /nfs/dbraw/zinc/82/84/35/669828435.db2.gz VMBRSMRCSSICBI-VXGBXAGGSA-N 1 0 322.496 0.753 10 0 DCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480460 670149681 /nfs/dbraw/zinc/14/96/81/670149681.db2.gz WFMVZSXJGDUEQL-CBAPKCEASA-N 1 0 301.188 0.939 10 0 DCAERO C[C@@]1(C(F)(F)F)CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000712798656 670150931 /nfs/dbraw/zinc/15/09/31/670150931.db2.gz YKSRRXGLWCKSGY-UWVGGRQHSA-N 1 0 316.345 0.721 10 0 DCAERO CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000713948398 670171959 /nfs/dbraw/zinc/17/19/59/670171959.db2.gz HXOVVBBNFMACFE-FZMZJTMJSA-N 1 0 302.440 0.658 10 0 DCAERO COC(=O)Cc1csc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)n1 ZINC000715106345 670203545 /nfs/dbraw/zinc/20/35/45/670203545.db2.gz IVIHQNBAUSUOTA-XPUUQOCRSA-N 1 0 305.306 0.637 10 0 DCAERO C[NH+](C)C[C@@H](CO)Nc1ncc(I)cn1 ZINC000716736156 670272008 /nfs/dbraw/zinc/27/20/08/670272008.db2.gz PTDUKXRMGFWWHW-QMMMGPOBSA-N 1 0 322.150 0.416 10 0 DCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)OCC(F)(F)F ZINC000193627527 670319008 /nfs/dbraw/zinc/31/90/08/670319008.db2.gz AQXUSKONPVVOTM-BDAKNGLRSA-N 1 0 311.304 0.922 10 0 DCAERO [NH3+][C@@H]1CN(CCN2CCCS2(=O)=O)CC[C@@H]1C(F)(F)F ZINC000717035959 670947227 /nfs/dbraw/zinc/94/72/27/670947227.db2.gz QACSWSPKZHWBMW-VHSXEESVSA-N 1 0 315.361 0.233 10 0 DCAERO O[C@@]1(Cc2nc(C3CC3)no2)CCC[N@H+](CCn2cncn2)C1 ZINC000818252724 670997365 /nfs/dbraw/zinc/99/73/65/670997365.db2.gz BSSOYEXZIZTTOL-OAHLLOKOSA-N 1 0 318.381 0.608 10 0 DCAERO C[C@](O)(C[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000818325180 671004301 /nfs/dbraw/zinc/00/43/01/671004301.db2.gz WZMREXLRHKFTCI-BBRMVZONSA-N 1 0 315.377 0.532 10 0 DCAERO NC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000818324787 671004389 /nfs/dbraw/zinc/00/43/89/671004389.db2.gz OOEGPTRQMFFJRF-TZMCWYRMSA-N 1 0 319.340 0.497 10 0 DCAERO CC(C)(C)S(=O)(=O)CCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000718733723 685305185 /nfs/dbraw/zinc/30/51/85/685305185.db2.gz MAUOYXISESIJKV-STQMWFEESA-N 1 0 304.456 0.653 10 0 DCAERO CC(C)(C)S(=O)(=O)CCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000718728481 685305679 /nfs/dbraw/zinc/30/56/79/685305679.db2.gz LUTNIMJKTCXMAO-ZDUSSCGKSA-N 1 0 306.472 0.636 10 0 DCAERO Cc1ncc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000720880195 685316161 /nfs/dbraw/zinc/31/61/61/685316161.db2.gz DMQXVJUPFHUKCE-RNFRBKRXSA-N 1 0 315.342 0.962 10 0 DCAERO CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000719642122 685310989 /nfs/dbraw/zinc/31/09/89/685310989.db2.gz MKQPENHZKQXAIR-QWHCGFSZSA-N 1 0 304.456 0.751 10 0 DCAERO COC[C@H](C)S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720812696 685315749 /nfs/dbraw/zinc/31/57/49/685315749.db2.gz VBFDWOJSYJYOBL-XHNCKOQMSA-N 1 0 304.334 0.420 10 0 DCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720502148 685313749 /nfs/dbraw/zinc/31/37/49/685313749.db2.gz PQUXLADQQPWQRA-AVGNSLFASA-N 1 0 306.497 0.979 10 0 DCAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720645961 685314351 /nfs/dbraw/zinc/31/43/51/685314351.db2.gz ZCVACKLDUOOUNL-YIYPIFLZSA-N 1 0 301.456 0.750 10 0 DCAERO CCON1CCC([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721228270 685317754 /nfs/dbraw/zinc/31/77/54/685317754.db2.gz HQAGVJJWURQJQK-ZDUSSCGKSA-N 1 0 306.428 0.196 10 0 DCAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000249726425 685183814 /nfs/dbraw/zinc/18/38/14/685183814.db2.gz OZHVBGPDNLORAN-HUUCEWRRSA-N 1 0 312.435 0.908 10 0 DCAERO C[NH+](C)CCC(=O)N1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC000062264861 1172572430 /nfs/dbraw/zinc/57/24/30/1172572430.db2.gz MJFIMBBGLRWKNS-CQSZACIVSA-N 1 0 311.426 0.568 10 0 DCAERO CCS(=O)(=O)NCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093961778 1175687652 /nfs/dbraw/zinc/68/76/52/1175687652.db2.gz YOPOANMYOCVFNF-UHFFFAOYSA-N 1 0 302.444 0.747 10 0 DCAERO CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261728054 1184989443 /nfs/dbraw/zinc/98/94/43/1184989443.db2.gz QWANFGLGXWWWIZ-CHWSQXEVSA-N 1 0 308.403 0.772 10 0 DCAERO CCS(=O)(=O)NCCC[NH2+][C@@H](c1nc(C)no1)C(C)C ZINC000179861686 1185168777 /nfs/dbraw/zinc/16/87/77/1185168777.db2.gz JYAJIAXSNAXSJD-LLVKDONJSA-N 1 0 304.416 0.994 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ncncc1Br ZINC000090781592 185311962 /nfs/dbraw/zinc/31/19/62/185311962.db2.gz JRNZEOSUTGEERQ-UHFFFAOYSA-N 1 0 314.187 0.107 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000236647989 201946794 /nfs/dbraw/zinc/94/67/94/201946794.db2.gz YUTMIZMTNWBECW-NSHDSACASA-N 1 0 310.398 0.341 10 0 DCAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(S(C)(=O)=O)CCC2)CC[N@@H+]1C ZINC000408313668 297256852 /nfs/dbraw/zinc/25/68/52/297256852.db2.gz LMVSJBHZZIGRCC-NEPJUHHUSA-N 1 0 302.440 0.895 10 0 DCAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000181867726 186213054 /nfs/dbraw/zinc/21/30/54/186213054.db2.gz YSSXVIRDOWMOOA-LLVKDONJSA-N 1 0 316.365 0.893 10 0 DCAERO 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CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000245458138 285273458 /nfs/dbraw/zinc/27/34/58/285273458.db2.gz CNMHMQJBYHCGCO-CVEARBPZSA-N 1 0 324.469 0.530 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000245666349 285285780 /nfs/dbraw/zinc/28/57/80/285285780.db2.gz DUYOIAINDQYJFF-HOTGVXAUSA-N 1 0 324.469 0.977 10 0 DCAERO O=C(NCC1CC1)[C@@]12C[NH2+]C[C@@H]1N(c1ncccn1)CCC2 ZINC000247505675 257119009 /nfs/dbraw/zinc/11/90/09/257119009.db2.gz RJSSJLMYLDEGQC-BBRMVZONSA-N 1 0 301.394 0.561 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCS1(=O)=O ZINC000423202777 262432842 /nfs/dbraw/zinc/43/28/42/262432842.db2.gz LFSVISFXIQPZQN-DGCLKSJQSA-N 1 0 302.440 0.930 10 0 DCAERO CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000163953761 132128551 /nfs/dbraw/zinc/12/85/51/132128551.db2.gz WFLKZEPTJMBXTF-KGLIPLIRSA-N 1 0 310.442 0.126 10 0 DCAERO CCC(C)(C)NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121681604 132156910 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C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194787867 395807573 /nfs/dbraw/zinc/80/75/73/395807573.db2.gz FXARMCSZSLJLJN-LBPRGKRZSA-N 1 0 305.378 0.839 10 0 DCAERO CC[NH+](CC)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111790150 395813755 /nfs/dbraw/zinc/81/37/55/395813755.db2.gz APGPADNEYJGQJY-AWEZNQCLSA-N 1 0 309.414 0.635 10 0 DCAERO CC1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)COC1 ZINC000112724156 395823082 /nfs/dbraw/zinc/82/30/82/395823082.db2.gz DSZXMDRRIDBNJP-UHFFFAOYSA-N 1 0 311.426 0.777 10 0 DCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112725459 395823453 /nfs/dbraw/zinc/82/34/53/395823453.db2.gz BNIAFVIEISFSPK-GJZGRUSLSA-N 1 0 313.405 0.882 10 0 DCAERO CCCNC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508369 395830430 /nfs/dbraw/zinc/83/04/30/395830430.db2.gz MODGOLZURYRAGN-ZDUSSCGKSA-N 1 0 308.426 0.970 10 0 DCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195519387 395831497 /nfs/dbraw/zinc/83/14/97/395831497.db2.gz 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/nfs/dbraw/zinc/91/03/40/395910340.db2.gz JDMNTRKFVBMCJT-NSHDSACASA-N 1 0 310.398 0.294 10 0 DCAERO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237388868 395911688 /nfs/dbraw/zinc/91/16/88/395911688.db2.gz FIEXREGUUZTXEV-FDYHWXHSSA-N 1 0 317.455 0.338 10 0 DCAERO COC(=O)CNC(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245497193 395930595 /nfs/dbraw/zinc/93/05/95/395930595.db2.gz SYHYMYTZEGUNOK-KGLIPLIRSA-N 1 0 311.426 0.613 10 0 DCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000118858015 395865613 /nfs/dbraw/zinc/86/56/13/395865613.db2.gz LIQOTEGYBQPDSF-KRWDZBQOSA-N 1 0 319.449 1.000 10 0 DCAERO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119853270 395877462 /nfs/dbraw/zinc/87/74/62/395877462.db2.gz ZQRBFHLIRQIJPR-CYBMUJFWSA-N 1 0 317.455 0.353 10 0 DCAERO CCOC(=O)C(C)(C)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000119943402 395879059 /nfs/dbraw/zinc/87/90/59/395879059.db2.gz NGJZBKJNBNMVJL-GFCCVEGCSA-N 1 0 300.399 0.755 10 0 DCAERO 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GUEPTFWJZKIACZ-GJZGRUSLSA-N 1 0 310.442 0.587 10 0 DCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCc1ccc2c(c1)OCO2 ZINC000246375136 395949064 /nfs/dbraw/zinc/94/90/64/395949064.db2.gz OHZLCHGNFQCPIG-AWEZNQCLSA-N 1 0 317.389 0.812 10 0 DCAERO O=C1OCC[C@@H]1CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246563550 395952442 /nfs/dbraw/zinc/95/24/42/395952442.db2.gz BMEJXQHJDYOJCV-QWHCGFSZSA-N 1 0 316.423 0.440 10 0 DCAERO CNC(=O)Cn1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000246572681 395953434 /nfs/dbraw/zinc/95/34/34/395953434.db2.gz YDANMXWFEVBMDO-YPMHNXCESA-N 1 0 320.397 0.330 10 0 DCAERO C[N@@H+]1CCN(C[C@@H](O)CN2CCCC2=O)C2(CCCCC2)C1 ZINC000246830642 395958535 /nfs/dbraw/zinc/95/85/35/395958535.db2.gz BBWAYJVPOGWMJR-HNNXBMFYSA-N 1 0 309.454 0.920 10 0 DCAERO CC[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000247376688 395972800 /nfs/dbraw/zinc/97/28/00/395972800.db2.gz VKVXOARDZWWTJQ-RBSFLKMASA-N 1 0 302.459 0.939 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000247478224 395974284 /nfs/dbraw/zinc/97/42/84/395974284.db2.gz SKJKUNZLYQYBFD-CABCVRRESA-N 1 0 323.437 0.520 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1C(N)=O ZINC000247521600 395975096 /nfs/dbraw/zinc/97/50/96/395975096.db2.gz WTNAJNGLAAAVKW-STQMWFEESA-N 1 0 316.405 0.893 10 0 DCAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151101455 395978897 /nfs/dbraw/zinc/97/88/97/395978897.db2.gz SQOAPAKRDRLCSW-CABCVRRESA-N 1 0 318.421 0.799 10 0 DCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C(N)=O)cn3)CC[C@H]21 ZINC000247977441 395981427 /nfs/dbraw/zinc/98/14/27/395981427.db2.gz HYFHWADCRYPWTG-TZMCWYRMSA-N 1 0 302.378 0.737 10 0 DCAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1=O ZINC000248054421 395982474 /nfs/dbraw/zinc/98/24/74/395982474.db2.gz WYDWONZMMLCATC-LRDDRELGSA-N 1 0 309.410 0.944 10 0 DCAERO CC[C@@H]1CN(c2cncc(OCCO)n2)CC[N@@H+]1C[C@H](C)O ZINC000248400541 395986681 /nfs/dbraw/zinc/98/66/81/395986681.db2.gz QEROVGQIRWVVMM-QWHCGFSZSA-N 1 0 310.398 0.129 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(CO)c2)C[C@@H]1C ZINC000248598875 395990254 /nfs/dbraw/zinc/99/02/54/395990254.db2.gz IRDVTNHDKIMALM-KBPBESRZSA-N 1 0 321.421 0.775 10 0 DCAERO Cc1cccn2c1ncc(C(=O)N1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)c2=O ZINC000248649194 395993189 /nfs/dbraw/zinc/99/31/89/395993189.db2.gz UJIBPWAIDSNTEI-UBHSHLNASA-N 1 0 312.373 0.812 10 0 DCAERO CCn1cc([C@@H]2CN(C[C@@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000248709025 395995627 /nfs/dbraw/zinc/99/56/27/395995627.db2.gz IIWKLVCWYQLWML-CABCVRRESA-N 1 0 322.409 0.260 10 0 DCAERO CC(C)[C@H](O)CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000153327131 396023242 /nfs/dbraw/zinc/02/32/42/396023242.db2.gz UUKSIUNFEGUVRI-CQSZACIVSA-N 1 0 300.447 0.329 10 0 DCAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000155125494 396047768 /nfs/dbraw/zinc/04/77/68/396047768.db2.gz XCXXXBGYCFBIKM-ZDUSSCGKSA-N 1 0 318.377 0.175 10 0 DCAERO CSC1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCOCC1 ZINC000261630605 396051014 /nfs/dbraw/zinc/05/10/14/396051014.db2.gz CVUVZFJORLYPNK-LBPRGKRZSA-N 1 0 302.440 0.769 10 0 DCAERO C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261852840 396072880 /nfs/dbraw/zinc/07/28/80/396072880.db2.gz DPTUROHYJHZSFW-UONOGXRCSA-N 1 0 310.442 0.045 10 0 DCAERO [NH3+]CCN(CCc1ccccc1)CC(=O)NC1CCOCC1 ZINC000261768363 396063278 /nfs/dbraw/zinc/06/32/78/396063278.db2.gz NSUDURLTOJSSOS-UHFFFAOYSA-N 1 0 305.422 0.785 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2nccnc2c1 ZINC000261788686 396066704 /nfs/dbraw/zinc/06/67/04/396066704.db2.gz SRHUOONURKUFQM-UHFFFAOYSA-N 1 0 313.361 0.134 10 0 DCAERO C[NH+](C)[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC000277464791 396069162 /nfs/dbraw/zinc/06/91/62/396069162.db2.gz OKVNKIMKYFFUHW-KBPBESRZSA-N 1 0 305.426 0.968 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000152434236 396008655 /nfs/dbraw/zinc/00/86/55/396008655.db2.gz PIABUIZGSFVOEZ-CHWSQXEVSA-N 1 0 312.414 0.003 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000249740346 396011893 /nfs/dbraw/zinc/01/18/93/396011893.db2.gz IDZPYJXJTJOHAE-KBPBESRZSA-N 1 0 318.425 0.839 10 0 DCAERO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000152533840 396012256 /nfs/dbraw/zinc/01/22/56/396012256.db2.gz UKORADOLNASIEK-GFCCVEGCSA-N 1 0 322.413 0.211 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1[NH+](C)C ZINC000251621674 396016297 /nfs/dbraw/zinc/01/62/97/396016297.db2.gz DYRSYGVNYUOQPU-RKDXNWHRSA-N 1 0 306.819 0.644 10 0 DCAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000251501363 396016756 /nfs/dbraw/zinc/01/67/56/396016756.db2.gz FINWIPQYODDIMD-ILXRZTDVSA-N 1 0 306.410 0.940 10 0 DCAERO CN(CC(=O)Nc1ccccc1F)CC(=O)N1CC[NH2+]CC1 ZINC000261973431 396085830 /nfs/dbraw/zinc/08/58/30/396085830.db2.gz QKJZCPSCZCKRNT-UHFFFAOYSA-N 1 0 308.357 0.128 10 0 DCAERO [NH3+][C@@H](C(=O)NCCNC(=O)c1ccccc1F)C1CCOCC1 ZINC000261992672 396087414 /nfs/dbraw/zinc/08/74/14/396087414.db2.gz MWGUQAHAWDRDEH-CQSZACIVSA-N 1 0 323.368 0.426 10 0 DCAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(c1)C[C@@H](O)[C@@H](O)C2 ZINC000169319453 396090313 /nfs/dbraw/zinc/09/03/13/396090313.db2.gz VVBMERYDWHEPNU-CWRNSKLLSA-N 1 0 309.406 0.635 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000069779059 396090535 /nfs/dbraw/zinc/09/05/35/396090535.db2.gz CYSGYBOKXOAMNW-ZDUSSCGKSA-N 1 0 309.414 0.238 10 0 DCAERO [NH3+]CC1(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCOCC1 ZINC000262048475 396093876 /nfs/dbraw/zinc/09/38/76/396093876.db2.gz ZKGMRCMOBBGGJF-ZDUSSCGKSA-N 1 0 317.389 0.664 10 0 DCAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262064030 396095479 /nfs/dbraw/zinc/09/54/79/396095479.db2.gz BCVDSSCTLAQMIS-GAFUQQFSSA-N 1 0 321.402 0.186 10 0 DCAERO CC(C)OCCN1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262105333 396099886 /nfs/dbraw/zinc/09/98/86/396099886.db2.gz FAJAQFIHFXBPBA-UHFFFAOYSA-N 1 0 313.442 0.311 10 0 DCAERO C[NH2+]CCC1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000070189508 396100447 /nfs/dbraw/zinc/10/04/47/396100447.db2.gz GURGBGGRPPATSV-STQMWFEESA-N 1 0 319.471 0.662 10 0 DCAERO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000262114697 396100499 /nfs/dbraw/zinc/10/04/99/396100499.db2.gz LBYQPOGWHXNFQP-VXGBXAGGSA-N 1 0 317.455 0.286 10 0 DCAERO CC(C)N1C(=O)CN(C(=O)C2(C[NH3+])CCOCC2)CC1(C)C ZINC000262154438 396104777 /nfs/dbraw/zinc/10/47/77/396104777.db2.gz HZPJXRSBRISNHV-UHFFFAOYSA-N 1 0 311.426 0.600 10 0 DCAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262178735 396106877 /nfs/dbraw/zinc/10/68/77/396106877.db2.gz BJMPGSPYCJNGFX-DOMZBBRYSA-N 1 0 307.394 0.611 10 0 DCAERO C[N@H+](CCCC(=O)NC(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000171552084 396118897 /nfs/dbraw/zinc/11/88/97/396118897.db2.gz SSQVCIZKEZHLOZ-LBPRGKRZSA-N 1 0 320.397 0.352 10 0 DCAERO CNC(=O)NC(=O)CCN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000262292228 396118982 /nfs/dbraw/zinc/11/89/82/396118982.db2.gz WEBYPRRTQHVWMC-CYBMUJFWSA-N 1 0 320.393 0.487 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000262314706 396122150 /nfs/dbraw/zinc/12/21/50/396122150.db2.gz PNLMXNLCMCDPSO-CYBMUJFWSA-N 1 0 307.394 0.754 10 0 DCAERO C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)CC[NH2+]1 ZINC000262326676 396124797 /nfs/dbraw/zinc/12/47/97/396124797.db2.gz DOFGJKMIKXXWPX-KKUMJFAQSA-N 1 0 323.437 0.614 10 0 DCAERO O=C(NCCN1CC[NH2+]CC1)c1coc(Br)c1 ZINC000262338203 396126882 /nfs/dbraw/zinc/12/68/82/396126882.db2.gz XSDZRXZEAGQKEP-UHFFFAOYSA-N 1 0 302.172 0.677 10 0 DCAERO CCc1cnc(N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)s1 ZINC000262352271 396128985 /nfs/dbraw/zinc/12/89/85/396128985.db2.gz HLJSSSLFVZGHDR-ZYHUDNBSSA-N 1 0 310.423 0.077 10 0 DCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262368786 396130925 /nfs/dbraw/zinc/13/09/25/396130925.db2.gz XINPOMSENGERSV-OAHLLOKOSA-N 1 0 307.394 0.109 10 0 DCAERO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[NH3+] ZINC000262465018 396143474 /nfs/dbraw/zinc/14/34/74/396143474.db2.gz CAPYJNVMBCIMES-GFCCVEGCSA-N 1 0 303.370 0.318 10 0 DCAERO CC(=O)NCCCCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174343108 396137686 /nfs/dbraw/zinc/13/76/86/396137686.db2.gz ISYUVSWGPRGCGY-UONOGXRCSA-N 1 0 313.442 0.596 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H]1N1CCOCC1 ZINC000261891142 396076801 /nfs/dbraw/zinc/07/68/01/396076801.db2.gz CBIOUDZMJJQWBG-RBSFLKMASA-N 1 0 307.438 0.555 10 0 DCAERO [NH3+][C@@H](C(=O)NCc1cccc(-n2cncn2)c1)C1CCOCC1 ZINC000261915928 396078881 /nfs/dbraw/zinc/07/88/81/396078881.db2.gz YCUBSMJKTNYHJZ-OAHLLOKOSA-N 1 0 315.377 0.637 10 0 DCAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccco1 ZINC000261923401 396080248 /nfs/dbraw/zinc/08/02/48/396080248.db2.gz KQVAGUOHNVRJFN-MCIONIFRSA-N 1 0 307.394 0.756 10 0 DCAERO C[N@H+](CCCn1ccnc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000162297680 396080472 /nfs/dbraw/zinc/08/04/72/396080472.db2.gz VWCBYGCAOFLHLQ-AWEZNQCLSA-N 1 0 314.455 0.877 10 0 DCAERO COC(=O)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261936234 396080809 /nfs/dbraw/zinc/08/08/09/396080809.db2.gz WUPZPZMSYSKAFA-CYBMUJFWSA-N 1 0 306.362 0.567 10 0 DCAERO COC(=O)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261936235 396080856 /nfs/dbraw/zinc/08/08/56/396080856.db2.gz WUPZPZMSYSKAFA-ZDUSSCGKSA-N 1 0 306.362 0.567 10 0 DCAERO CN1CC[C@H](C(=O)N2CCNC[C@H]2c2cccnc2)CC1=O ZINC000261948068 396082536 /nfs/dbraw/zinc/08/25/36/396082536.db2.gz LGTQHJOAFOHIEJ-JSGCOSHPSA-N 1 0 302.378 0.423 10 0 DCAERO COC(=O)[C@H](C)Oc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263208269 396206170 /nfs/dbraw/zinc/20/61/70/396206170.db2.gz JYOLZDFTPXHJHG-NJZAAPMLSA-N 1 0 308.378 0.297 10 0 DCAERO CC(=O)Nc1nc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cs1 ZINC000263230858 396207819 /nfs/dbraw/zinc/20/78/19/396207819.db2.gz NKJYHLDOOHYBGY-VIFPVBQESA-N 1 0 308.367 0.728 10 0 DCAERO CC(C)Cn1ccnc1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263251510 396209391 /nfs/dbraw/zinc/20/93/91/396209391.db2.gz PBPJOVDCIWTCPO-AWEZNQCLSA-N 1 0 309.414 0.255 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000278983094 396145075 /nfs/dbraw/zinc/14/50/75/396145075.db2.gz DVVAIBSLPDZEEU-DZGCQCFKSA-N 1 0 321.425 0.845 10 0 DCAERO CC[NH2+]Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000262482904 396145491 /nfs/dbraw/zinc/14/54/91/396145491.db2.gz VMDQJKHPEHEXCS-UHFFFAOYSA-N 1 0 318.333 0.155 10 0 DCAERO O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262489000 396146182 /nfs/dbraw/zinc/14/61/82/396146182.db2.gz ZBBURKIIHOJQNW-PMPSAXMXSA-N 1 0 300.358 0.712 10 0 DCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262492595 396146878 /nfs/dbraw/zinc/14/68/78/396146878.db2.gz ZQDRTIWZSSOCFS-PMPSAXMXSA-N 1 0 310.486 0.764 10 0 DCAERO Cc1ccc(NC(=O)CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c(Cl)c1 ZINC000262561235 396155405 /nfs/dbraw/zinc/15/54/05/396155405.db2.gz WILMMVQXWZDOCQ-CABZTGNLSA-N 1 0 311.769 0.426 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnccc1OC ZINC000176893728 396162508 /nfs/dbraw/zinc/16/25/08/396162508.db2.gz LXVVVXJSKUPATP-GFCCVEGCSA-N 1 0 320.393 0.971 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000262674776 396171900 /nfs/dbraw/zinc/17/19/00/396171900.db2.gz QXQXPSFJRKXACM-RMLUDKJBSA-N 1 0 305.382 0.629 10 0 DCAERO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(C)C1=O ZINC000074792320 396172111 /nfs/dbraw/zinc/17/21/11/396172111.db2.gz XUWPNOZTWHKTDH-GSPSYOTPSA-N 1 0 308.426 0.874 10 0 DCAERO CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1=O ZINC000262786571 396182096 /nfs/dbraw/zinc/18/20/96/396182096.db2.gz MPQUDSJVUURNIY-QWRGUYRKSA-N 1 0 310.398 0.211 10 0 DCAERO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000262805070 396183602 /nfs/dbraw/zinc/18/36/02/396183602.db2.gz WMKQBXIXYLFHRE-SCZZXKLOSA-N 1 0 318.420 0.811 10 0 DCAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000263290493 396212197 /nfs/dbraw/zinc/21/21/97/396212197.db2.gz LIBAVQJNOZICRN-QMMMGPOBSA-N 1 0 300.355 0.626 10 0 DCAERO Cc1nn(C)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1Br ZINC000263306172 396212594 /nfs/dbraw/zinc/21/25/94/396212594.db2.gz XYJLOQZJLGIOSZ-WCBMZHEXSA-N 1 0 303.204 0.161 10 0 DCAERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000182013549 396245079 /nfs/dbraw/zinc/24/50/79/396245079.db2.gz YOJUNHWOOAHVCQ-LLVKDONJSA-N 1 0 309.395 0.467 10 0 DCAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)[C@H]1CCCO1 ZINC000182294560 396249455 /nfs/dbraw/zinc/24/94/55/396249455.db2.gz KQIXBXQXJVDDDW-FPMFFAJLSA-N 1 0 311.426 0.659 10 0 DCAERO C[C@@H](CCNC(=O)CN1C(=O)NC(C)(C)C1=O)[NH+]1CCCCC1 ZINC000183084778 396260539 /nfs/dbraw/zinc/26/05/39/396260539.db2.gz RATFSPRNTMHNBK-LBPRGKRZSA-N 1 0 324.425 0.698 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183622480 396272769 /nfs/dbraw/zinc/27/27/69/396272769.db2.gz WZALUXQCLJHMBQ-NWDGAFQWSA-N 1 0 314.430 0.296 10 0 DCAERO O=C(CNC(=O)N1CCC([NH+]2CCCC2)CC1)NCC1CC1 ZINC000183780502 396274449 /nfs/dbraw/zinc/27/44/49/396274449.db2.gz LTDKMPUTYFHIDC-UHFFFAOYSA-N 1 0 308.426 0.782 10 0 DCAERO CC[C@@H](CO)N1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183994096 396279928 /nfs/dbraw/zinc/27/99/28/396279928.db2.gz IXGIXZUBKQGUAE-ZDUSSCGKSA-N 1 0 306.410 0.676 10 0 DCAERO CCOc1ccc(C[C@@H](CNC(=O)C2C[NH2+]C2)C(=O)OC)cc1 ZINC000263314648 396213316 /nfs/dbraw/zinc/21/33/16/396213316.db2.gz PZYWGZAILSCTOP-ZDUSSCGKSA-N 1 0 320.389 0.753 10 0 DCAERO CC[N@H+](CCc1nccs1)Cc1cc(=O)n(C)c(=O)n1C ZINC000179038510 396219439 /nfs/dbraw/zinc/21/94/39/396219439.db2.gz LSAWZRPRMCZDLS-UHFFFAOYSA-N 1 0 308.407 0.605 10 0 DCAERO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)NC(N)=O ZINC000184749675 396305113 /nfs/dbraw/zinc/30/51/13/396305113.db2.gz BOYAWXGYBOKLPQ-STQMWFEESA-N 1 0 318.421 0.928 10 0 DCAERO CC[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859380 396308896 /nfs/dbraw/zinc/30/88/96/396308896.db2.gz SNJOHCAQXBGBSP-GOEBONIOSA-N 1 0 324.469 0.569 10 0 DCAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 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CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188390184 396381830 /nfs/dbraw/zinc/38/18/30/396381830.db2.gz WHKCIBSNYNWNTE-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO O=C(Cc1cccc(F)c1)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188616910 396383571 /nfs/dbraw/zinc/38/35/71/396383571.db2.gz CTQBBUOKWCQLQF-UHFFFAOYSA-N 1 0 319.380 0.791 10 0 DCAERO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000188604478 396383578 /nfs/dbraw/zinc/38/35/78/396383578.db2.gz KUYWNNFXHVFXPA-INIZCTEOSA-N 1 0 320.393 0.014 10 0 DCAERO O=C(Nc1nncn1-c1ccccc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188990606 396389178 /nfs/dbraw/zinc/38/91/78/396389178.db2.gz ASWAJPQKNBOKPH-UHFFFAOYSA-N 1 0 309.333 0.888 10 0 DCAERO O=C(Cn1cnnn1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189002965 396389869 /nfs/dbraw/zinc/38/98/69/396389869.db2.gz HPAJHSXFFWZRMI-GXFFZTMASA-N 1 0 322.319 0.213 10 0 DCAERO CCN(C)C(=O)[C@@H](C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000190084701 396402104 /nfs/dbraw/zinc/40/21/04/396402104.db2.gz 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/nfs/dbraw/zinc/44/74/95/396447495.db2.gz CYXQUZUZKUTREJ-KBPBESRZSA-N 1 0 319.405 0.910 10 0 DCAERO COC(=O)c1coc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193404005 396450245 /nfs/dbraw/zinc/45/02/45/396450245.db2.gz UOAYEEHSEKNKAU-SCZZXKLOSA-N 1 0 302.352 0.343 10 0 DCAERO Cc1nn(C)c(C)c1OCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292272040 396541184 /nfs/dbraw/zinc/54/11/84/396541184.db2.gz QETWBQLUQMIWQP-INIZCTEOSA-N 1 0 306.410 0.970 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4nc[nH]c4n3)[C@H]2C1 ZINC000293789886 396633130 /nfs/dbraw/zinc/63/31/30/396633130.db2.gz COMXFYPTKSHCTC-UONOGXRCSA-N 1 0 315.377 0.893 10 0 DCAERO COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000374879257 396694373 /nfs/dbraw/zinc/69/43/73/396694373.db2.gz IZXDWYSSRVPDCP-GRYCIOLGSA-N 1 0 304.412 0.151 10 0 DCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCN2CCOC[C@@H]2C)C1 ZINC000375612207 396780784 /nfs/dbraw/zinc/78/07/84/396780784.db2.gz JJPKWXSFUPYJIA-UONOGXRCSA-N 1 0 319.471 0.109 10 0 DCAERO 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/nfs/dbraw/zinc/98/97/73/396989773.db2.gz GDBVRKYDEQLUGQ-IGQOVBAYSA-N 1 0 311.426 0.741 10 0 DCAERO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000571824781 396991595 /nfs/dbraw/zinc/99/15/95/396991595.db2.gz UGYWDNNKQMNNHX-QMIVOQANSA-N 1 0 312.410 0.129 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630363149 396995322 /nfs/dbraw/zinc/99/53/22/396995322.db2.gz XXESGYMIAPBAGP-QWHCGFSZSA-N 1 0 307.460 0.791 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630364295 396996381 /nfs/dbraw/zinc/99/63/81/396996381.db2.gz RTLJJSFKTSPJAD-WCQYABFASA-N 1 0 302.371 0.953 10 0 DCAERO Cn1ncc(NCCOCCC[NH3+])c(Br)c1=O ZINC000630537220 397040725 /nfs/dbraw/zinc/04/07/25/397040725.db2.gz KRGOOLBGQFSCTP-UHFFFAOYSA-N 1 0 305.176 0.320 10 0 DCAERO Cc1cc(C)c(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000378003894 397177866 /nfs/dbraw/zinc/17/78/66/397177866.db2.gz UBKBJQQMEZBUHQ-HNNXBMFYSA-N 1 0 321.421 0.985 10 0 DCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377944133 397168795 /nfs/dbraw/zinc/16/87/95/397168795.db2.gz OQORVZLVJNGCNL-GJZGRUSLSA-N 1 0 323.437 0.757 10 0 DCAERO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000364425727 397199077 /nfs/dbraw/zinc/19/90/77/397199077.db2.gz NVUOPDBVERZVDV-CABCVRRESA-N 1 0 306.410 0.558 10 0 DCAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385826889 397285234 /nfs/dbraw/zinc/28/52/34/397285234.db2.gz SNAAPWRJSNFDFN-BFHYXJOUSA-N 1 0 304.456 0.751 10 0 DCAERO CC1(CO)CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000574890867 397309084 /nfs/dbraw/zinc/30/90/84/397309084.db2.gz ZVRKOVPPKRPRRD-UHFFFAOYSA-N 1 0 316.361 0.894 10 0 DCAERO C[NH+](C)CCOCCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000471635603 397448342 /nfs/dbraw/zinc/44/83/42/397448342.db2.gz OMORHRVVJDGVCM-HNNXBMFYSA-N 1 0 309.410 0.640 10 0 DCAERO Cn1cc(N2CCC[C@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cn1 ZINC000608704567 397748718 /nfs/dbraw/zinc/74/87/18/397748718.db2.gz LWSDAVRKKHWLRY-AWEZNQCLSA-N 1 0 320.441 0.736 10 0 DCAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000608784499 397755750 /nfs/dbraw/zinc/75/57/50/397755750.db2.gz BECOSQJFMWKCCL-RRFJBIMHSA-N 1 0 315.410 0.961 10 0 DCAERO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H](C)CO)C1 ZINC000610369883 397816583 /nfs/dbraw/zinc/81/65/83/397816583.db2.gz MOIHOPNBXYWXPN-QWHCGFSZSA-N 1 0 300.399 0.348 10 0 DCAERO CC(C)NC(=O)CC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000073605442 158055422 /nfs/dbraw/zinc/05/54/22/158055422.db2.gz MDQRMIKQAHFXAZ-UHFFFAOYSA-N 1 0 324.469 0.531 10 0 DCAERO CC[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088912119 158095901 /nfs/dbraw/zinc/09/59/01/158095901.db2.gz QQIUMGCWIBJOPU-BETUJISGSA-N 1 0 319.471 0.662 10 0 DCAERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CNC(N)=O ZINC000092552130 158115844 /nfs/dbraw/zinc/11/58/44/158115844.db2.gz QCNSKGPGNSBERS-UHFFFAOYSA-N 1 0 319.409 0.815 10 0 DCAERO CCOC(=O)CC[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701146 158121576 /nfs/dbraw/zinc/12/15/76/158121576.db2.gz ACDZSSCWLKVKOQ-GFCCVEGCSA-N 1 0 306.428 0.543 10 0 DCAERO O=C(NCCCN1CCCC1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000097393913 158125563 /nfs/dbraw/zinc/12/55/63/158125563.db2.gz VNMSZPDEHFXQCH-CYBMUJFWSA-N 1 0 308.426 0.782 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C)COC2)CC1=O ZINC000112729109 158144262 /nfs/dbraw/zinc/14/42/62/158144262.db2.gz AXFPSWZUMWCJSG-ZIAGYGMSSA-N 1 0 323.437 0.472 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCC1=O ZINC000113575485 158148079 /nfs/dbraw/zinc/14/80/79/158148079.db2.gz CJLWNXKPMVQRGM-UONOGXRCSA-N 1 0 308.426 0.877 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nnc2n1CCCC2 ZINC000113597324 158149365 /nfs/dbraw/zinc/14/93/65/158149365.db2.gz SPJRPFWMWYCJNF-CHWSQXEVSA-N 1 0 318.425 0.993 10 0 DCAERO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCC[NH+](C)C ZINC000114675012 158156335 /nfs/dbraw/zinc/15/63/35/158156335.db2.gz FHTIUPOYQIKSEV-UHFFFAOYSA-N 1 0 305.425 0.385 10 0 DCAERO 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/nfs/dbraw/zinc/29/49/03/158294903.db2.gz WTYBKCLKWBINLY-UHFFFAOYSA-N 1 0 308.426 0.923 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000170859902 158376910 /nfs/dbraw/zinc/37/69/10/158376910.db2.gz MTAHHCHNGJCYHP-GFCCVEGCSA-N 1 0 322.409 0.404 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000171554056 158384617 /nfs/dbraw/zinc/38/46/17/158384617.db2.gz SLOLYLKOHUDOSH-LLVKDONJSA-N 1 0 317.397 0.390 10 0 DCAERO CCNC(=O)NC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000171586824 158384789 /nfs/dbraw/zinc/38/47/89/158384789.db2.gz YGYYDPTWRLQCRO-CYBMUJFWSA-N 1 0 308.426 0.925 10 0 DCAERO O=C(CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000171900801 158387856 /nfs/dbraw/zinc/38/78/56/158387856.db2.gz FPBAEVNYBAFXKG-AWEZNQCLSA-N 1 0 308.426 0.879 10 0 DCAERO CC(=O)N1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171907517 158388735 /nfs/dbraw/zinc/38/87/35/158388735.db2.gz LCEFTPMLOSXFPM-OAHLLOKOSA-N 1 0 308.426 0.735 10 0 DCAERO CCc1nc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cs1 ZINC000172794482 158399578 /nfs/dbraw/zinc/39/95/78/158399578.db2.gz HCMXWUJPDNTDPB-LLVKDONJSA-N 1 0 324.450 0.732 10 0 DCAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000173386665 158405568 /nfs/dbraw/zinc/40/55/68/158405568.db2.gz QQRJMMRSZMKSJI-MRXNPFEDSA-N 1 0 324.469 0.975 10 0 DCAERO CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000179117633 158468331 /nfs/dbraw/zinc/46/83/31/158468331.db2.gz ZIDAASKMUSFWSE-LLVKDONJSA-N 1 0 316.810 0.934 10 0 DCAERO CNC(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000185994474 158525638 /nfs/dbraw/zinc/52/56/38/158525638.db2.gz NEKRPDLMAMPHRM-UHFFFAOYSA-N 1 0 313.467 0.990 10 0 DCAERO O=C([C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1)N1CCOCC1 ZINC000246292255 158661453 /nfs/dbraw/zinc/66/14/53/158661453.db2.gz AIVQQKDUQIGVSG-UONOGXRCSA-N 1 0 310.394 0.510 10 0 DCAERO Cc1ccc(N2C[C@H](C(=O)NCC3C[NH2+]C3)CC2=O)c(F)c1 ZINC000262037465 158765572 /nfs/dbraw/zinc/76/55/72/158765572.db2.gz QTQKTIIZZNMKGB-GFCCVEGCSA-N 1 0 305.353 0.823 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000262063807 158769241 /nfs/dbraw/zinc/76/92/41/158769241.db2.gz BASYTDGKFIEFFG-IINYFYTJSA-N 1 0 304.325 0.322 10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000262129560 158775731 /nfs/dbraw/zinc/77/57/31/158775731.db2.gz GJSJAJZIIJFPFW-FQUUOJAGSA-N 1 0 318.373 0.258 10 0 DCAERO Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3C[NH2+]C[C@H]3O)nc21 ZINC000262294687 158794071 /nfs/dbraw/zinc/79/40/71/158794071.db2.gz OYMJYOTWLMINTE-WCQYABFASA-N 1 0 302.378 0.500 10 0 DCAERO CCC(=O)c1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262376871 158806391 /nfs/dbraw/zinc/80/63/91/158806391.db2.gz WRCCQGRGFPQXKM-DOMZBBRYSA-N 1 0 306.362 0.355 10 0 DCAERO CCc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1S(N)(=O)=O ZINC000262513053 158820588 /nfs/dbraw/zinc/82/05/88/158820588.db2.gz JWSHLSZZLQEUCR-VIFPVBQESA-N 1 0 311.407 0.690 10 0 DCAERO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262793750 158841781 /nfs/dbraw/zinc/84/17/81/158841781.db2.gz DIBHXODHNWDKLQ-GHMZBOCLSA-N 1 0 312.801 0.794 10 0 DCAERO C[N@H+](CCN1C(=O)CNC1=O)C1CCN(c2cccnn2)CC1 ZINC000328637440 159016692 /nfs/dbraw/zinc/01/66/92/159016692.db2.gz CVIJQLHHXSHGGX-UHFFFAOYSA-N 1 0 318.381 0.133 10 0 DCAERO CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328709412 159023298 /nfs/dbraw/zinc/02/32/98/159023298.db2.gz QSVPWBLYEGMUGF-ZDUSSCGKSA-N 1 0 301.398 0.983 10 0 DCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000329011146 159051526 /nfs/dbraw/zinc/05/15/26/159051526.db2.gz ZUTFVTQTWFSDQV-SLEUVZQESA-N 1 0 302.382 0.694 10 0 DCAERO CC(C)N1CC[C@@H]([N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1=O ZINC000329103331 159062283 /nfs/dbraw/zinc/06/22/83/159062283.db2.gz DFGFOEDWPQBVOV-HZSPNIEDSA-N 1 0 319.409 0.980 10 0 DCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329265587 159077744 /nfs/dbraw/zinc/07/77/44/159077744.db2.gz HDOLKGKWDHCFOX-HZSPNIEDSA-N 1 0 308.426 0.929 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)O1 ZINC000329289509 159080115 /nfs/dbraw/zinc/08/01/15/159080115.db2.gz ICMBFAHAYDSCRH-BARDWOONSA-N 1 0 323.437 0.565 10 0 DCAERO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)O1 ZINC000329473246 159096204 /nfs/dbraw/zinc/09/62/04/159096204.db2.gz ANBUXDRVDZDPAG-DGAVXFQQSA-N 1 0 309.410 0.175 10 0 DCAERO O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329601969 159106499 /nfs/dbraw/zinc/10/64/99/159106499.db2.gz XUXQUGACNJIXMX-QKPAOTATSA-N 1 0 324.421 0.219 10 0 DCAERO CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000329791392 159119892 /nfs/dbraw/zinc/11/98/92/159119892.db2.gz UMQOMXOAEUZXQZ-SLBVQIDZSA-N 1 0 321.425 0.581 10 0 DCAERO O=C(c1cn([C@@H]2CCOC2)nn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000330056174 159138628 /nfs/dbraw/zinc/13/86/28/159138628.db2.gz VLPIKZICVJCSEE-UONOGXRCSA-N 1 0 319.409 0.940 10 0 DCAERO O=C(c1cn([C@H]2CCOC2)nn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000330056173 159138828 /nfs/dbraw/zinc/13/88/28/159138828.db2.gz VLPIKZICVJCSEE-KGLIPLIRSA-N 1 0 319.409 0.940 10 0 DCAERO NC(=O)c1cc([C@@H]2CCC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C2)n[nH]1 ZINC000330062515 159139066 /nfs/dbraw/zinc/13/90/66/159139066.db2.gz AVQQKMHXYGOWSO-YGRLFVJLSA-N 1 0 317.393 0.451 10 0 DCAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cnn(C)c2)CC(=O)N1C ZINC000330294264 159157680 /nfs/dbraw/zinc/15/76/80/159157680.db2.gz IKGMZMGUYZFAIZ-CZUORRHYSA-N 1 0 316.409 0.832 10 0 DCAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000332910251 159215966 /nfs/dbraw/zinc/21/59/66/159215966.db2.gz ITCWJLKEFXEJJI-LSDHHAIUSA-N 1 0 324.469 0.578 10 0 DCAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000367056247 159310374 /nfs/dbraw/zinc/31/03/74/159310374.db2.gz WYXTWPCXDRLOOR-MRXNPFEDSA-N 1 0 309.410 0.180 10 0 DCAERO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367490107 159340620 /nfs/dbraw/zinc/34/06/20/159340620.db2.gz RAWGJOSPBVTBOA-AZGFUHLJSA-N 1 0 311.426 0.382 10 0 DCAERO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000408023174 160014032 /nfs/dbraw/zinc/01/40/32/160014032.db2.gz QKFFKXOJAWUAEY-OLZOCXBDSA-N 1 0 317.455 0.211 10 0 DCAERO CC(C)C(=O)N1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408025507 160014596 /nfs/dbraw/zinc/01/45/96/160014596.db2.gz AEVJIZAIXLWNHS-OAHLLOKOSA-N 1 0 322.453 0.140 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCSC2)C[C@H]1C ZINC000408105797 160037102 /nfs/dbraw/zinc/03/71/02/160037102.db2.gz QOAHZRAFTRCGGQ-FRRDWIJNSA-N 1 0 301.456 0.979 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCS(C)(=O)=O ZINC000408153839 160049329 /nfs/dbraw/zinc/04/93/29/160049329.db2.gz GFOVLDUEKDZAHR-NEPJUHHUSA-N 1 0 303.428 0.299 10 0 DCAERO CCc1c(C(=O)N2CC[NH+]3CCC2CC3)[nH]c(C)c1C(N)=O ZINC000408162405 160050501 /nfs/dbraw/zinc/05/05/01/160050501.db2.gz WISZSGFVPOCPJQ-UHFFFAOYSA-N 1 0 304.394 0.905 10 0 DCAERO CNS(=O)(=O)NC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000408241954 160067680 /nfs/dbraw/zinc/06/76/80/160067680.db2.gz ONKYLQLFUKTCNW-CYBMUJFWSA-N 1 0 305.444 0.464 10 0 DCAERO CCn1nccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000408290683 160077574 /nfs/dbraw/zinc/07/75/74/160077574.db2.gz KVDWMWJPPKKLFC-NWDGAFQWSA-N 1 0 300.428 0.864 10 0 DCAERO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000408320051 160083731 /nfs/dbraw/zinc/08/37/31/160083731.db2.gz JNYCCCOMKBWPRL-UHFFFAOYSA-N 1 0 304.394 0.916 10 0 DCAERO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000408405750 160102163 /nfs/dbraw/zinc/10/21/63/160102163.db2.gz RWASQJZVSUPQAC-MGPQQGTHSA-N 1 0 319.471 0.803 10 0 DCAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408411794 160102671 /nfs/dbraw/zinc/10/26/71/160102671.db2.gz KWHGKBCGAFKBEV-NSHDSACASA-N 1 0 304.394 0.905 10 0 DCAERO CC[C@H]1CN(CCCNS(=O)(=O)CC)CC[N@@H+]1C[C@@H](C)O ZINC000132544411 287006126 /nfs/dbraw/zinc/00/61/26/287006126.db2.gz WQNOPRYMKIORMP-KGLIPLIRSA-N 1 0 321.487 0.093 10 0 DCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000132701313 287006768 /nfs/dbraw/zinc/00/67/68/287006768.db2.gz JPUIIHVOCSGPBC-JHJVBQTASA-N 1 0 314.430 0.127 10 0 DCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccccc1 ZINC000139505318 287029160 /nfs/dbraw/zinc/02/91/60/287029160.db2.gz MWJFLGYSBSATHI-CQSZACIVSA-N 1 0 304.394 0.810 10 0 DCAERO CCC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)[NH+](C)C ZINC000245925860 287074428 /nfs/dbraw/zinc/07/44/28/287074428.db2.gz XLRONSMCIQUUMJ-YNEHKIRRSA-N 1 0 319.471 0.551 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000246052951 287075723 /nfs/dbraw/zinc/07/57/23/287075723.db2.gz CLRDICRRPXCARM-MJBXVCDLSA-N 1 0 319.471 0.614 10 0 DCAERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)N1CCOCC1 ZINC000246069606 287076063 /nfs/dbraw/zinc/07/60/63/287076063.db2.gz SNZCMKINXUKYOX-HZSPNIEDSA-N 1 0 304.456 0.653 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000246384016 287082728 /nfs/dbraw/zinc/08/27/28/287082728.db2.gz CJXFPBYIOULGHZ-LBPRGKRZSA-N 1 0 305.444 0.067 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCCNC1=O ZINC000247478192 287093966 /nfs/dbraw/zinc/09/39/66/287093966.db2.gz ITUILAAGPCHDQO-STQMWFEESA-N 1 0 312.414 0.065 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCSc1nnnn1C ZINC000247020082 287090273 /nfs/dbraw/zinc/09/02/73/287090273.db2.gz SJEIDFVCXKIVGF-NEPJUHHUSA-N 1 0 324.454 0.778 10 0 DCAERO COCCN1C[C@@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1=O ZINC000248771328 287101505 /nfs/dbraw/zinc/10/15/05/287101505.db2.gz RHASBFJXZIFLDZ-KGLIPLIRSA-N 1 0 311.426 0.472 10 0 DCAERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000248716628 287100510 /nfs/dbraw/zinc/10/05/10/287100510.db2.gz RPDAIGKVFYUTHE-RDBSUJKOSA-N 1 0 319.471 0.109 10 0 DCAERO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](CO)O1 ZINC000249300532 287108659 /nfs/dbraw/zinc/10/86/59/287108659.db2.gz 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NGLZBZJIIZRUIL-CQSZACIVSA-N 1 0 311.378 0.952 10 0 DCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000425529001 416713967 /nfs/dbraw/zinc/71/39/67/416713967.db2.gz VBNWIZJGELYODR-XJFOESAGSA-N 1 0 302.440 0.361 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832867 416754825 /nfs/dbraw/zinc/75/48/25/416754825.db2.gz ORMQBLLEIPNKLS-HIFRSBDPSA-N 1 0 310.442 0.269 10 0 DCAERO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCCCCO)cc21 ZINC000623173647 416759160 /nfs/dbraw/zinc/75/91/60/416759160.db2.gz CKEVSFVYMKAONR-UHFFFAOYSA-N 1 0 320.393 0.806 10 0 DCAERO CCc1cc(CNC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)on1 ZINC000558104814 416759446 /nfs/dbraw/zinc/75/94/46/416759446.db2.gz YMQTZAHOYAJZBX-UHFFFAOYSA-N 1 0 320.393 0.621 10 0 DCAERO CC(=O)N1CC[C@](C)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000369991283 416862678 /nfs/dbraw/zinc/86/26/78/416862678.db2.gz PBBUWVAIGXEZCV-INIZCTEOSA-N 1 0 311.426 0.474 10 0 DCAERO COCCCS(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000631965317 416836893 /nfs/dbraw/zinc/83/68/93/416836893.db2.gz XVMKEJGCNIJQHB-CQSZACIVSA-N 1 0 300.424 0.902 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631992914 416852222 /nfs/dbraw/zinc/85/22/22/416852222.db2.gz HCUGCBWAGGWGPS-KOLCDFICSA-N 1 0 318.830 0.836 10 0 DCAERO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000519538568 416911462 /nfs/dbraw/zinc/91/14/62/416911462.db2.gz KCROPQSHTONFNM-QWRGUYRKSA-N 1 0 320.393 0.850 10 0 DCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1Cl ZINC000388452276 417096671 /nfs/dbraw/zinc/09/66/71/417096671.db2.gz YNMBDZXAGCVHCF-NSHDSACASA-N 1 0 304.799 0.748 10 0 DCAERO COc1nc(NC[C@H]2C[NH2+]CCCO2)ncc1Br ZINC000389835768 417100171 /nfs/dbraw/zinc/10/01/71/417100171.db2.gz XBMZPAFAVDLKIU-MRVPVSSYSA-N 1 0 317.187 1.038 10 0 DCAERO CC[C@H]1CN(CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417746 417073725 /nfs/dbraw/zinc/07/37/25/417073725.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 1 0 319.471 0.063 10 0 DCAERO C[C@@]1(O)COC2(CC[NH2+]CC2)C[C@H]1n1cnc2c1ncnc2N ZINC000616576533 417080123 /nfs/dbraw/zinc/08/01/23/417080123.db2.gz VPUHJUJAGLEUJF-QMTHXVAHSA-N 1 0 318.381 0.243 10 0 DCAERO C[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)n1cnc(C#N)n1 ZINC000568160251 417083674 /nfs/dbraw/zinc/08/36/74/417083674.db2.gz JYFRLCCCMBYBAD-LBPRGKRZSA-N 1 0 302.382 0.798 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000448600117 417086715 /nfs/dbraw/zinc/08/67/15/417086715.db2.gz CUICGIJTJWHBBD-UHFFFAOYSA-N 1 0 319.331 0.748 10 0 DCAERO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1 ZINC000448600591 417089117 /nfs/dbraw/zinc/08/91/17/417089117.db2.gz IQXGWPGBUNRZII-UHFFFAOYSA-N 1 0 309.385 0.780 10 0 DCAERO C[C@H](CNC(=O)c1cn2cccnc2n1)N1CC[NH+](C)CC1 ZINC000524418246 417107207 /nfs/dbraw/zinc/10/72/07/417107207.db2.gz YWGIIDUSIOEZJR-GFCCVEGCSA-N 1 0 302.382 0.095 10 0 DCAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400096989 417109924 /nfs/dbraw/zinc/10/99/24/417109924.db2.gz FZGXPXYANGUZCV-TYUFSLCMSA-N 1 0 302.440 0.691 10 0 DCAERO Cn1ncc(Br)c1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404206621 417117441 /nfs/dbraw/zinc/11/74/41/417117441.db2.gz QRZRXHWKSGCTKK-NSHDSACASA-N 1 0 304.188 0.814 10 0 DCAERO CC(=O)N1CCC[C@](O)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000408045074 417135470 /nfs/dbraw/zinc/13/54/70/417135470.db2.gz PSDPXOOABVPITL-QGZVFWFLSA-N 1 0 323.437 0.447 10 0 DCAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000408120647 417144496 /nfs/dbraw/zinc/14/44/96/417144496.db2.gz AQMQGYCPSWQDGS-CHWSQXEVSA-N 1 0 319.471 0.757 10 0 DCAERO CCOC(=O)C1(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000408168659 417146766 /nfs/dbraw/zinc/14/67/66/417146766.db2.gz LDKDBUIZYXEIFO-BETUJISGSA-N 1 0 312.410 0.897 10 0 DCAERO O=S(=O)(c1cc(F)cc(F)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000643098212 417151227 /nfs/dbraw/zinc/15/12/27/417151227.db2.gz NWOWSNZIYHBLKC-NWDGAFQWSA-N 1 0 304.318 0.326 10 0 DCAERO CCOC[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408461003 417163709 /nfs/dbraw/zinc/16/37/09/417163709.db2.gz SNQSGUJKTVVPLS-BFHYXJOUSA-N 1 0 320.455 0.394 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)C1 ZINC000408460853 417163955 /nfs/dbraw/zinc/16/39/55/417163955.db2.gz RSLSQZFRQGCLRU-STQMWFEESA-N 1 0 311.451 0.538 10 0 DCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CCCNC1=O ZINC000637958553 417256190 /nfs/dbraw/zinc/25/61/90/417256190.db2.gz UYOHRXYXKRSYEP-FPMFFAJLSA-N 1 0 305.378 0.314 10 0 DCAERO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1F ZINC000528056073 417299026 /nfs/dbraw/zinc/29/90/26/417299026.db2.gz GMJKZQZTZRQCBU-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO Cc1nn(C)cc1CC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000451288990 417327207 /nfs/dbraw/zinc/32/72/07/417327207.db2.gz VAQRZMUOCAEQGN-UHFFFAOYSA-N 1 0 308.426 0.840 10 0 DCAERO CC(=O)c1cccc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000623055401 417532993 /nfs/dbraw/zinc/53/29/93/417532993.db2.gz RIJZNTPWUUQCFZ-UHFFFAOYSA-N 1 0 318.377 0.785 10 0 DCAERO C[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@H]1[NH3+] ZINC000623065113 417537449 /nfs/dbraw/zinc/53/74/49/417537449.db2.gz QVMWNAOQTQNYNK-IONNQARKSA-N 1 0 324.182 0.911 10 0 DCAERO CC(C)(C[NH3+])C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000575746457 417545075 /nfs/dbraw/zinc/54/50/75/417545075.db2.gz XWPDERMKEUFCHO-UHFFFAOYSA-N 1 0 317.397 0.783 10 0 DCAERO Cn1ncc(Br)c1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638874864 417572386 /nfs/dbraw/zinc/57/23/86/417572386.db2.gz CXONYDIOGJBYMG-QMMMGPOBSA-N 1 0 317.187 0.035 10 0 DCAERO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000299746757 229389206 /nfs/dbraw/zinc/38/92/06/229389206.db2.gz ZPBSMZVHAHGAFT-CVEARBPZSA-N 1 0 319.405 0.793 10 0 DCAERO [NH3+]CC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019680655 261104259 /nfs/dbraw/zinc/10/42/59/261104259.db2.gz KOCHDJRMHHQDTK-UHFFFAOYSA-N 1 0 304.799 0.814 10 0 DCAERO CC[N@H+](CCO)CCNS(=O)(=O)Cc1cccc(OC)c1 ZINC000184339170 261118461 /nfs/dbraw/zinc/11/84/61/261118461.db2.gz ANRSGKXEUSFWTR-UHFFFAOYSA-N 1 0 316.423 0.429 10 0 DCAERO COC(=O)Cn1cc(CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)nn1 ZINC000188026415 261125970 /nfs/dbraw/zinc/12/59/70/261125970.db2.gz HDXJBMAYHNOZIT-DOMZBBRYSA-N 1 0 310.398 0.477 10 0 DCAERO CO[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C ZINC000189369585 261131768 /nfs/dbraw/zinc/13/17/68/261131768.db2.gz CVBGSQHNUCWTLL-KBPBESRZSA-N 1 0 311.426 0.472 10 0 DCAERO CC(=O)NC1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000189750789 261133688 /nfs/dbraw/zinc/13/36/88/261133688.db2.gz MWVQTBOVDCRHSB-VXGBXAGGSA-N 1 0 312.414 0.016 10 0 DCAERO C[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H](CO)O1 ZINC000191862032 261138149 /nfs/dbraw/zinc/13/81/49/261138149.db2.gz UCGPVXXSYWEZGK-KBPBESRZSA-N 1 0 322.405 0.849 10 0 DCAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)CC1 ZINC000194826078 261148931 /nfs/dbraw/zinc/14/89/31/261148931.db2.gz HIAOMTSFKXNDNO-AWEZNQCLSA-N 1 0 316.405 0.509 10 0 DCAERO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000234559025 261155111 /nfs/dbraw/zinc/15/51/11/261155111.db2.gz APHDKFDNJLDVFP-UPJWGTAASA-N 1 0 318.439 0.684 10 0 DCAERO CC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362349404 262024915 /nfs/dbraw/zinc/02/49/15/262024915.db2.gz APHPZUVVQOYIQC-HZPDHXFCSA-N 1 0 322.453 0.236 10 0 DCAERO CN(C)C(=O)Cn1cc(NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000362754118 262068704 /nfs/dbraw/zinc/06/87/04/262068704.db2.gz XECNVFSIKPQGKM-UHFFFAOYSA-N 1 0 307.398 0.642 10 0 DCAERO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362876740 262083666 /nfs/dbraw/zinc/08/36/66/262083666.db2.gz QXODOALBBBPMGF-ZDUSSCGKSA-N 1 0 317.455 0.259 10 0 DCAERO C[NH+](C)Cc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363857530 262135165 /nfs/dbraw/zinc/13/51/65/262135165.db2.gz QHHIPIIGDSRAJN-MRXNPFEDSA-N 1 0 303.406 0.905 10 0 DCAERO C[NH+](C)Cc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363857529 262135234 /nfs/dbraw/zinc/13/52/34/262135234.db2.gz QHHIPIIGDSRAJN-INIZCTEOSA-N 1 0 303.406 0.905 10 0 DCAERO 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/nfs/dbraw/zinc/97/67/97/545976797.db2.gz FORXBICSGODXHU-DGCLKSJQSA-N 1 0 318.377 0.215 10 0 DCAERO C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000261655054 545976945 /nfs/dbraw/zinc/97/69/45/545976945.db2.gz VONDGXDYYBYMKF-NDBYEHHHSA-N 1 0 305.444 0.400 10 0 DCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000261879894 545977854 /nfs/dbraw/zinc/97/78/54/545977854.db2.gz YZOGBNGLJKDEHI-VXGBXAGGSA-N 1 0 315.373 0.774 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(OCC(F)(F)F)cc1 ZINC000262144538 545979699 /nfs/dbraw/zinc/97/96/99/545979699.db2.gz HKRKGDWIVCNXKF-ZYHUDNBSSA-N 1 0 318.295 0.938 10 0 DCAERO COc1ccc(Cl)cc1NCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262212405 545980185 /nfs/dbraw/zinc/98/01/85/545980185.db2.gz IXIUERUUYVHASI-BXKDBHETSA-N 1 0 313.785 0.457 10 0 DCAERO COc1ccc(Cl)cc1NCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262212411 545981151 /nfs/dbraw/zinc/98/11/51/545981151.db2.gz IXIUERUUYVHASI-JOYOIKCWSA-N 1 0 313.785 0.457 10 0 DCAERO 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XXCXMURZPDTOGL-STQMWFEESA-N 1 0 301.346 0.960 10 0 DCAERO CCC(=O)c1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262376875 545985691 /nfs/dbraw/zinc/98/56/91/545985691.db2.gz WRCCQGRGFPQXKM-SWLSCSKDSA-N 1 0 306.362 0.355 10 0 DCAERO COc1cnc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1 ZINC000333215419 546074617 /nfs/dbraw/zinc/07/46/17/546074617.db2.gz UVNBCLKWQNQQCQ-CYBMUJFWSA-N 1 0 323.397 0.964 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000333758246 546090315 /nfs/dbraw/zinc/09/03/15/546090315.db2.gz ADGHNXRFPCSMFI-FPCVCCKLSA-N 1 0 324.469 0.879 10 0 DCAERO O=C(N[C@H]1CCCN(c2ncccn2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333943001 546095986 /nfs/dbraw/zinc/09/59/86/546095986.db2.gz QNGZOXBXVRMSIJ-KBPBESRZSA-N 1 0 318.425 0.887 10 0 DCAERO Cc1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1C ZINC000888095011 661164385 /nfs/dbraw/zinc/16/43/85/661164385.db2.gz PAECTDCBLPGDMQ-PNBKFKSVSA-N 1 0 320.437 0.938 10 0 DCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356309787 665434329 /nfs/dbraw/zinc/43/43/29/665434329.db2.gz HCPPUBNVAOVVKY-DZGCQCFKSA-N 1 0 311.451 0.852 10 0 DCAERO Cc1csc(C)c1S(=O)(=O)N1CCC(O)(C[NH3+])CC1 ZINC000725072451 658107551 /nfs/dbraw/zinc/10/75/51/658107551.db2.gz OYKLYDWWUYFNDS-UHFFFAOYSA-N 1 0 304.437 0.839 10 0 DCAERO COCC[N@H+](C)C[C@H](O)CN1CCS[C@H](C(F)(F)F)C1 ZINC000721410001 658580947 /nfs/dbraw/zinc/58/09/47/658580947.db2.gz JAXJJEITCWYNMD-QWRGUYRKSA-N 1 0 316.389 0.905 10 0 DCAERO Cn1nnc(Br)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000310410327 658629995 /nfs/dbraw/zinc/62/99/95/658629995.db2.gz MHEXBOUGSPCZGB-ZETCQYMHSA-N 1 0 302.176 0.354 10 0 DCAERO CS(=O)(=O)CC1(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000261901165 658647346 /nfs/dbraw/zinc/64/73/46/658647346.db2.gz WHBUZNRJCRXPHW-BETUJISGSA-N 1 0 314.451 0.659 10 0 DCAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000177159310 658707491 /nfs/dbraw/zinc/70/74/91/658707491.db2.gz 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662269757 /nfs/dbraw/zinc/26/97/57/662269757.db2.gz MHERLZBWVYEJHO-DOMZBBRYSA-N 1 0 321.425 0.579 10 0 DCAERO Cc1c2ccccc2oc(=O)c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262419672 662376582 /nfs/dbraw/zinc/37/65/82/662376582.db2.gz ZZEZUKGHWOIPNE-ZYHUDNBSSA-N 1 0 302.330 0.412 10 0 DCAERO Cc1nc2c(nccc2C(=O)NCCC[NH+]2CCC(O)CC2)[nH]1 ZINC000435459918 663198321 /nfs/dbraw/zinc/19/83/21/663198321.db2.gz PJBQQQABQCZVTC-UHFFFAOYSA-N 1 0 317.393 0.843 10 0 DCAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)C1(C)C ZINC000721263809 663285021 /nfs/dbraw/zinc/28/50/21/663285021.db2.gz YIRCCMDHIQAJTO-OUCADQQQSA-N 1 0 305.440 0.983 10 0 DCAERO Cc1ccc2nnc(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2c1 ZINC000911075086 663979631 /nfs/dbraw/zinc/97/96/31/663979631.db2.gz MMSIXFVBTPAZMO-QWHCGFSZSA-N 1 0 315.377 0.517 10 0 DCAERO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)CO ZINC000167097015 664486276 /nfs/dbraw/zinc/48/62/76/664486276.db2.gz RSCZXLVMQZHQQK-GYSYKLTISA-N 1 0 301.408 0.730 10 0 DCAERO C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000187667857 664611769 /nfs/dbraw/zinc/61/17/69/664611769.db2.gz BXEFIVYBJQJVQA-AWEZNQCLSA-N 1 0 301.394 0.766 10 0 DCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(=O)n(C)c1 ZINC000171787326 664612929 /nfs/dbraw/zinc/61/29/29/664612929.db2.gz FOTQGEMIIRUMHU-CYBMUJFWSA-N 1 0 308.382 0.618 10 0 DCAERO C[NH+](C)[C@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000170859329 665391576 /nfs/dbraw/zinc/39/15/76/665391576.db2.gz LSAHEUGILYPAJA-QWRGUYRKSA-N 1 0 306.453 0.069 10 0 DCAERO O=C([C@@H]1CSC(=O)N1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072829369 666433484 /nfs/dbraw/zinc/43/34/84/666433484.db2.gz CCAQNQGKECAPLB-LBPRGKRZSA-N 1 0 312.439 0.051 10 0 DCAERO CO[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702618411 666972962 /nfs/dbraw/zinc/97/29/62/666972962.db2.gz ASYBIPIAPGKWKU-INMHGKMJSA-N 1 0 304.390 0.775 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CO1 ZINC000702850309 667010670 /nfs/dbraw/zinc/01/06/70/667010670.db2.gz YMKRLSTULWCVJP-VOAKCMCISA-N 1 0 300.399 0.981 10 0 DCAERO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC000702846439 667010988 /nfs/dbraw/zinc/01/09/88/667010988.db2.gz QNLIFHMUSRAHCH-OLZOCXBDSA-N 1 0 310.398 0.738 10 0 DCAERO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702846053 667011077 /nfs/dbraw/zinc/01/10/77/667011077.db2.gz PLTJQMIVZBFHCU-AAEUAGOBSA-N 1 0 310.398 0.738 10 0 DCAERO CC1(O)CCC([NH2+]CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000702999166 667023388 /nfs/dbraw/zinc/02/33/88/667023388.db2.gz YZJWBFTXIUIKQJ-UHFFFAOYSA-N 1 0 304.456 0.941 10 0 DCAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCS(=O)(=O)CC2)CO1 ZINC000703310008 667080775 /nfs/dbraw/zinc/08/07/75/667080775.db2.gz KQEKSCKDQXULJH-NSHDSACASA-N 1 0 320.411 0.704 10 0 DCAERO Cc1nc(C)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)[nH]1 ZINC000863939515 667195789 /nfs/dbraw/zinc/19/57/89/667195789.db2.gz BHTNKPSUGWXTHS-NEPJUHHUSA-N 1 0 303.370 0.245 10 0 DCAERO O=C1CCC(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000708218971 667442368 /nfs/dbraw/zinc/44/23/68/667442368.db2.gz DTEGHZLPFRPXJX-NSHDSACASA-N 1 0 300.424 0.902 10 0 DCAERO [NH3+]C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000709847324 667445886 /nfs/dbraw/zinc/44/58/86/667445886.db2.gz PQUDWPJXMKOSRI-RNFRBKRXSA-N 1 0 307.238 0.734 10 0 DCAERO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000710135776 667445962 /nfs/dbraw/zinc/44/59/62/667445962.db2.gz SNFBOLICKODCOM-MLCYQJTMSA-N 1 0 311.473 0.798 10 0 DCAERO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000710135327 667445968 /nfs/dbraw/zinc/44/59/68/667445968.db2.gz QUDFKBMRTJIABF-MLCYQJTMSA-N 1 0 311.473 0.941 10 0 DCAERO COC[C@@]1(C(=O)N2CCS[C@H](C(C)C)C2)C[NH2+]CCO1 ZINC000710798810 667446476 /nfs/dbraw/zinc/44/64/76/667446476.db2.gz UJZHIHMZKFPNKB-GXTWGEPZSA-N 1 0 302.440 0.591 10 0 DCAERO C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711051270 667448832 /nfs/dbraw/zinc/44/88/32/667448832.db2.gz SHRGGDBTOHEQNL-PWSUYJOCSA-N 1 0 311.386 0.919 10 0 DCAERO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000711317491 667458129 /nfs/dbraw/zinc/45/81/29/667458129.db2.gz RTDAGXJTHSXEBV-WOPDTQHZSA-N 1 0 300.424 0.410 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000711357930 667460019 /nfs/dbraw/zinc/46/00/19/667460019.db2.gz OMFJFNOGJRDRMK-KWQFWETISA-N 1 0 304.803 0.494 10 0 DCAERO COc1cc(C[NH2+]C[C@H](O)[C@H](C)O)cc(Br)c1O ZINC000717314160 667559102 /nfs/dbraw/zinc/55/91/02/667559102.db2.gz BPGNYWCNADOPRP-XVKPBYJWSA-N 1 0 320.183 0.995 10 0 DCAERO Cc1nc(CN(C)[C@H]2CCN(C(=O)/C=C\C[NH+](C)C)C2)no1 ZINC000886056903 667727399 /nfs/dbraw/zinc/72/73/99/667727399.db2.gz OCBOKMZQSMJNHJ-SZZPACECSA-N 1 0 307.398 0.529 10 0 DCAERO CC(C)OCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717083206 668542856 /nfs/dbraw/zinc/54/28/56/668542856.db2.gz MVYDYHPFKRTFEE-ZJUUUORDSA-N 1 0 318.361 0.953 10 0 DCAERO 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ZINC000245477188 285236451 /nfs/dbraw/zinc/23/64/51/285236451.db2.gz UHBVQSYGKPTGSY-VXGBXAGGSA-N 1 0 305.444 0.545 10 0 DCAERO COCC(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000247818863 257117100 /nfs/dbraw/zinc/11/71/00/257117100.db2.gz HGYVEWDZLZRJLN-XJKSGUPXSA-N 1 0 305.378 0.293 10 0 DCAERO C[C@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000216517594 257132217 /nfs/dbraw/zinc/13/22/17/257132217.db2.gz PMZLQNHIFSFDHG-MELADBBJSA-N 1 0 307.456 0.967 10 0 DCAERO Cn1ccnc1[C@@H]1CN(C(=O)c2cncc(O)c2)CCN1C ZINC000275529277 130330595 /nfs/dbraw/zinc/33/05/95/130330595.db2.gz DNDFZRQNPNNFLA-ZDUSSCGKSA-N 1 0 301.350 0.650 10 0 DCAERO Cc1ccn2ncc(C(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)c2n1 ZINC000284465315 131083410 /nfs/dbraw/zinc/08/34/10/131083410.db2.gz LPFZLAVHWIVZAP-KGLIPLIRSA-N 1 0 315.377 0.583 10 0 DCAERO CNc1nc(C)cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000284818480 131113591 /nfs/dbraw/zinc/11/35/91/131113591.db2.gz AAJIMYZPRNIECA-CHWSQXEVSA-N 1 0 305.382 0.372 10 0 DCAERO Cc1[nH]nc2ncc(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)cc12 ZINC000284845524 131115105 /nfs/dbraw/zinc/11/51/05/131115105.db2.gz CJGDEHCNTKTQGT-KBPBESRZSA-N 1 0 315.377 0.811 10 0 DCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C1 ZINC000284845790 131115431 /nfs/dbraw/zinc/11/54/31/131115431.db2.gz CMPJOBAYKCDBTA-ZIAGYGMSSA-N 1 0 303.362 0.557 10 0 DCAERO CCC1(O)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085823335 395701988 /nfs/dbraw/zinc/70/19/88/395701988.db2.gz LVSRTUFXRJOQOL-CYBMUJFWSA-N 1 0 304.456 0.895 10 0 DCAERO COCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000035161748 395719415 /nfs/dbraw/zinc/71/94/15/395719415.db2.gz LTVFUNQFFDOIJF-CYBMUJFWSA-N 1 0 315.439 0.986 10 0 DCAERO C[C@H](CN1CCOCC1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559227 395726171 /nfs/dbraw/zinc/72/61/71/395726171.db2.gz YFHNYBORARDDPG-MSOLQXFVSA-N 1 0 324.513 0.809 10 0 DCAERO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC1=O ZINC000193914715 395781897 /nfs/dbraw/zinc/78/18/97/395781897.db2.gz 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395805277 /nfs/dbraw/zinc/80/52/77/395805277.db2.gz ZBIXHIPLEALSNH-CYBMUJFWSA-N 1 0 305.378 0.635 10 0 DCAERO Cc1ccc(CCNC(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000111452928 395809087 /nfs/dbraw/zinc/80/90/87/395809087.db2.gz FPDGBNQPZOBYFV-AWEZNQCLSA-N 1 0 306.410 0.952 10 0 DCAERO COc1ccc(OCC[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000111682981 395811933 /nfs/dbraw/zinc/81/19/33/395811933.db2.gz MAFOBGHQMPERHD-AWEZNQCLSA-N 1 0 322.405 0.989 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1=O ZINC000195089257 395815760 /nfs/dbraw/zinc/81/57/60/395815760.db2.gz WAOYOVPMQVLDGF-LLVKDONJSA-N 1 0 308.382 0.014 10 0 DCAERO O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195262896 395822980 /nfs/dbraw/zinc/82/29/80/395822980.db2.gz LGZMENIDXVUWCF-XHSDSOJGSA-N 1 0 313.401 0.969 10 0 DCAERO C[C@@H](C(=O)NC(N)=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297557 395823992 /nfs/dbraw/zinc/82/39/92/395823992.db2.gz YFFKPJZJYZFDLS-GXTWGEPZSA-N 1 0 319.409 0.419 10 0 DCAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1(C)COC1 ZINC000112753464 395824238 /nfs/dbraw/zinc/82/42/38/395824238.db2.gz GDWYHGNXLQGNMD-UHFFFAOYSA-N 1 0 312.458 0.690 10 0 DCAERO O=C(Cc1cccc(F)c1)NCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195334477 395825586 /nfs/dbraw/zinc/82/55/86/395825586.db2.gz NVJYPLAELCYMOW-HNNXBMFYSA-N 1 0 319.380 0.791 10 0 DCAERO Cc1nc(C[C@H]2CCC[N@H+](CCCN3C(=O)CNC3=O)C2)no1 ZINC000195518313 395830174 /nfs/dbraw/zinc/83/01/74/395830174.db2.gz QCGDWVSIUWZAIW-GFCCVEGCSA-N 1 0 321.381 0.574 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 ZINC000116784175 395845570 /nfs/dbraw/zinc/84/55/70/395845570.db2.gz LFGIZZWOOUSAPN-CQSZACIVSA-N 1 0 315.377 0.670 10 0 DCAERO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000223198601 395853930 /nfs/dbraw/zinc/85/39/30/395853930.db2.gz FYPSWQDMDGTSBC-MFKMUULPSA-N 1 0 300.380 0.136 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000194508847 395798929 /nfs/dbraw/zinc/79/89/29/395798929.db2.gz 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/nfs/dbraw/zinc/86/93/94/395869394.db2.gz NRLFYTSDUXLAHD-GFCCVEGCSA-N 1 0 314.407 0.417 10 0 DCAERO COC[C@@H](C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)OC ZINC000227713954 395869697 /nfs/dbraw/zinc/86/96/97/395869697.db2.gz QASGCQJERRECQM-ZYHUDNBSSA-N 1 0 302.396 0.646 10 0 DCAERO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000230861961 395882383 /nfs/dbraw/zinc/88/23/83/395882383.db2.gz VGLBLMKRTQHKFB-NSHDSACASA-N 1 0 306.819 0.742 10 0 DCAERO Cc1nccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000057076343 395938831 /nfs/dbraw/zinc/93/88/31/395938831.db2.gz HGGDPPAVPKRMBB-CQSZACIVSA-N 1 0 307.398 0.431 10 0 DCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248869785 395999013 /nfs/dbraw/zinc/99/90/13/395999013.db2.gz BMSLENKTZRRWAE-CRWXNKLISA-N 1 0 302.440 0.910 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1C(=O)CCC1=O ZINC000246107583 395941485 /nfs/dbraw/zinc/94/14/85/395941485.db2.gz HOFRCTKDVMLEGD-OLZOCXBDSA-N 1 0 322.409 0.404 10 0 DCAERO CCc1n[nH]c(=O)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1CC ZINC000135622476 395942362 /nfs/dbraw/zinc/94/23/62/395942362.db2.gz OVEOXQPCDCQOOV-NSHDSACASA-N 1 0 322.409 0.297 10 0 DCAERO CC(C)COC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246172787 395942981 /nfs/dbraw/zinc/94/29/81/395942981.db2.gz SICTXUDZNBGHGJ-ARFHVFGLSA-N 1 0 300.443 0.672 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC000246187388 395943417 /nfs/dbraw/zinc/94/34/17/395943417.db2.gz ODFWJZGJADEBJH-STQMWFEESA-N 1 0 304.394 0.823 10 0 DCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246260933 395945532 /nfs/dbraw/zinc/94/55/32/395945532.db2.gz OEBHFKQGBKVVKJ-VXGBXAGGSA-N 1 0 308.444 0.176 10 0 DCAERO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000246303512 395946407 /nfs/dbraw/zinc/94/64/07/395946407.db2.gz BYIYLAOBCXMEKP-JSGCOSHPSA-N 1 0 322.409 0.964 10 0 DCAERO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000246385801 395948639 /nfs/dbraw/zinc/94/86/39/395948639.db2.gz RZSKFEKVZYILLV-IIAWOOMASA-N 1 0 322.453 0.728 10 0 DCAERO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000246434926 395949629 /nfs/dbraw/zinc/94/96/29/395949629.db2.gz NMTQQJRYXYNAJF-WCQYABFASA-N 1 0 320.393 0.874 10 0 DCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C ZINC000246854760 395959446 /nfs/dbraw/zinc/95/94/46/395959446.db2.gz VEPAFCWSEABXMB-ILXRZTDVSA-N 1 0 314.426 0.486 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccccn1 ZINC000246911275 395961037 /nfs/dbraw/zinc/96/10/37/395961037.db2.gz IILPJSSUCAJQHJ-KGLIPLIRSA-N 1 0 316.405 0.897 10 0 DCAERO Cc1ccc(C(=O)N2CCOCC2)c(CN2CC[NH2+]CC2)c1 ZINC000145516994 395964293 /nfs/dbraw/zinc/96/42/93/395964293.db2.gz ILMCEFUJTJIGCA-UHFFFAOYSA-N 1 0 303.406 0.873 10 0 DCAERO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247190291 395968581 /nfs/dbraw/zinc/96/85/81/395968581.db2.gz KWLWVTCKXHLNFC-CZUORRHYSA-N 1 0 318.421 0.887 10 0 DCAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247235585 395969549 /nfs/dbraw/zinc/96/95/49/395969549.db2.gz DJQFHFOQOFEGMX-ZIAGYGMSSA-N 1 0 311.426 0.303 10 0 DCAERO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247329127 395971668 /nfs/dbraw/zinc/97/16/68/395971668.db2.gz MWVITEUVQNJHQJ-FRRDWIJNSA-N 1 0 319.471 0.838 10 0 DCAERO CN1CC[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1=O ZINC000150772647 395972701 /nfs/dbraw/zinc/97/27/01/395972701.db2.gz JSEKCYWQYIPSGK-ZDUSSCGKSA-N 1 0 305.378 0.588 10 0 DCAERO C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000248010251 395981349 /nfs/dbraw/zinc/98/13/49/395981349.db2.gz PDZBXXZXHSMVCB-STQMWFEESA-N 1 0 311.426 0.422 10 0 DCAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN2CCOCC2)C12CCC2 ZINC000248120534 395982560 /nfs/dbraw/zinc/98/25/60/395982560.db2.gz DWNRHWVNXWNLGS-BZUAXINKSA-N 1 0 312.454 0.959 10 0 DCAERO CC[C@@H]1CN(C(=O)N[C@H](COC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000248445623 395988416 /nfs/dbraw/zinc/98/84/16/395988416.db2.gz CDKFBOIAHTUWSA-BPLDGKMQSA-N 1 0 313.442 0.898 10 0 DCAERO COc1ccnc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1OC ZINC000249041892 396001809 /nfs/dbraw/zinc/00/18/09/396001809.db2.gz GWBMOGNUBMGYKB-OLZOCXBDSA-N 1 0 309.410 0.986 10 0 DCAERO [NH3+]C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CCOCC1 ZINC000261835675 396071334 /nfs/dbraw/zinc/07/13/34/396071334.db2.gz LEMAYGGNUICCNH-CQSZACIVSA-N 1 0 317.389 0.412 10 0 DCAERO COCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000154168191 396033925 /nfs/dbraw/zinc/03/39/25/396033925.db2.gz CFKTYKWJPGWVAE-UKRRQHHQSA-N 1 0 313.442 0.948 10 0 DCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)O1 ZINC000261632436 396051187 /nfs/dbraw/zinc/05/11/87/396051187.db2.gz CXOGQXCCVOUDJO-OLZOCXBDSA-N 1 0 301.350 0.390 10 0 DCAERO COCC1(C(=O)NC[C@@H]2COc3ccccc3O2)CC[NH2+]CC1 ZINC000261639963 396051776 /nfs/dbraw/zinc/05/17/76/396051776.db2.gz DSMBZBQYOUSWLM-CYBMUJFWSA-N 1 0 320.389 0.959 10 0 DCAERO C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261852824 396072855 /nfs/dbraw/zinc/07/28/55/396072855.db2.gz DPTUROHYJHZSFW-KBPBESRZSA-N 1 0 310.442 0.045 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCOc1ccccc1 ZINC000261728100 396059967 /nfs/dbraw/zinc/05/99/67/396059967.db2.gz QXSZRWLZMNRPPT-UHFFFAOYSA-N 1 0 305.378 0.346 10 0 DCAERO COC[C@]1(CNS(=O)(=O)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000261736696 396060788 /nfs/dbraw/zinc/06/07/88/396060788.db2.gz LPEKBFHOJXFLDH-QWHCGFSZSA-N 1 0 305.444 0.321 10 0 DCAERO NC(=O)c1c[nH]c(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261744684 396061526 /nfs/dbraw/zinc/06/15/26/396061526.db2.gz OKDDEYBZZWOMCP-UHFFFAOYSA-N 1 0 300.362 0.757 10 0 DCAERO O=C(C[NH2+]C1(CO)CCOCC1)N1CCC(c2ccccc2)=N1 ZINC000069248126 396073325 /nfs/dbraw/zinc/07/33/25/396073325.db2.gz CFAFXGKBSSEORP-UHFFFAOYSA-N 1 0 317.389 0.754 10 0 DCAERO [NH3+]C1(C(=O)NCC(=O)N2CCc3ccccc3C2)CCOCC1 ZINC000261777601 396065109 /nfs/dbraw/zinc/06/51/09/396065109.db2.gz HBJQEIJTMBRJGB-UHFFFAOYSA-N 1 0 317.389 0.195 10 0 DCAERO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H]3C[NH2+]C[C@H]3CC1)CS2 ZINC000261791271 396066672 /nfs/dbraw/zinc/06/66/72/396066672.db2.gz LXQLPLBOPGJCGP-IATRGZMQSA-N 1 0 323.462 0.898 10 0 DCAERO COC(=O)COc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261819883 396069298 /nfs/dbraw/zinc/06/92/98/396069298.db2.gz APLNORJCAPAEQI-UHFFFAOYSA-N 1 0 308.334 0.685 10 0 DCAERO COCCCNC(=O)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000153119768 396021446 /nfs/dbraw/zinc/02/14/46/396021446.db2.gz FALIMTMRPFTLPY-CQSZACIVSA-N 1 0 311.426 0.520 10 0 DCAERO COc1c(C)cc(C)cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000261973367 396085711 /nfs/dbraw/zinc/08/57/11/396085711.db2.gz BPZUIFPREAUNLR-GFCCVEGCSA-N 1 0 314.407 0.660 10 0 DCAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)NCCc1cccs1 ZINC000069706584 396088000 /nfs/dbraw/zinc/08/80/00/396088000.db2.gz NXHMPNUDRSIYOX-VXGBXAGGSA-N 1 0 319.434 0.991 10 0 DCAERO NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261997918 396088278 /nfs/dbraw/zinc/08/82/78/396088278.db2.gz UVNBGLWIKYNLDJ-CYBMUJFWSA-N 1 0 323.418 0.340 10 0 DCAERO CCOC(=O)c1cccnc1N(C)CC(=O)N1CC[NH2+]CC1 ZINC000262003652 396089488 /nfs/dbraw/zinc/08/94/88/396089488.db2.gz VOLVJIKQKKJBKV-UHFFFAOYSA-N 1 0 306.366 0.126 10 0 DCAERO CC(C)S(=O)(=O)N1CCC2(C[C@@H]3C(=O)NCC[N@H+]3C2)CC1 ZINC000169787724 396092570 /nfs/dbraw/zinc/09/25/70/396092570.db2.gz IYFOQSRKDMLDJB-GFCCVEGCSA-N 1 0 315.439 0.011 10 0 DCAERO C[C@@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000262042808 396093373 /nfs/dbraw/zinc/09/33/73/396093373.db2.gz GMLMVTPSDWLLLS-JTQLQIEISA-N 1 0 311.332 0.844 10 0 DCAERO Cc1ccc2ncc(C(=O)N3CC[C@H]([NH+](C)C)C3)c(=O)n2c1 ZINC000170867669 396099557 /nfs/dbraw/zinc/09/95/57/396099557.db2.gz AGSHSXRFGLGGIN-LBPRGKRZSA-N 1 0 300.362 0.779 10 0 DCAERO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3cnc(N)s3)C2)n[nH]1 ZINC000262123887 396101461 /nfs/dbraw/zinc/10/14/61/396101461.db2.gz XOQWJPCYYRJVPJ-QMMMGPOBSA-N 1 0 306.395 0.927 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070577525 396102626 /nfs/dbraw/zinc/10/26/26/396102626.db2.gz NKKRHLHRNUIBPE-RYUDHWBXSA-N 1 0 317.455 0.434 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)C3(C[NH3+])CCOCC3)C2)cn1 ZINC000262148451 396104356 /nfs/dbraw/zinc/10/43/56/396104356.db2.gz HPFCLTSIPBGHFT-CYBMUJFWSA-N 1 0 321.425 0.261 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000262188109 396108810 /nfs/dbraw/zinc/10/88/10/396108810.db2.gz CACRNRQAYQPISV-KGLIPLIRSA-N 1 0 305.378 0.580 10 0 DCAERO C[C@H](CNC(=O)NC[C@@H](CO)c1ccccc1)N1CCOCC1 ZINC000175772434 396142526 /nfs/dbraw/zinc/14/25/26/396142526.db2.gz ABFXOQAUWDASAM-ZBFHGGJFSA-N 1 0 321.421 0.782 10 0 DCAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262257264 396115934 /nfs/dbraw/zinc/11/59/34/396115934.db2.gz JCQCUCFUYLPUPI-MELADBBJSA-N 1 0 313.348 0.800 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000262320829 396123934 /nfs/dbraw/zinc/12/39/34/396123934.db2.gz QIGCGGMCQGLUMM-BZPMIXESSA-N 1 0 322.409 0.285 10 0 DCAERO NS(=O)(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171807433 396125579 /nfs/dbraw/zinc/12/55/79/396125579.db2.gz YOKPNBQGNGKLGB-GFCCVEGCSA-N 1 0 324.406 0.646 10 0 DCAERO COC[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000262349190 396128419 /nfs/dbraw/zinc/12/84/19/396128419.db2.gz UHQKKEYOAISGQT-ZIAGYGMSSA-N 1 0 323.437 0.601 10 0 DCAERO Cc1ccc(C(=O)NCCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262355220 396129726 /nfs/dbraw/zinc/12/97/26/396129726.db2.gz VQTBCILZNGOSLU-UHFFFAOYSA-N 1 0 305.378 0.349 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262368778 396130800 /nfs/dbraw/zinc/13/08/00/396130800.db2.gz XINPOMSENGERSV-HNNXBMFYSA-N 1 0 307.394 0.109 10 0 DCAERO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000262427539 396138730 /nfs/dbraw/zinc/13/87/30/396138730.db2.gz DDVNJMDEOXRMRK-SNVBAGLBSA-N 1 0 316.427 0.003 10 0 DCAERO [NH3+][C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCOCC1 ZINC000261871381 396074467 /nfs/dbraw/zinc/07/44/67/396074467.db2.gz TUDKENKCTOHTPZ-CZUORRHYSA-N 1 0 317.389 0.662 10 0 DCAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261892533 396076741 /nfs/dbraw/zinc/07/67/41/396076741.db2.gz VQGRNERGRFJVGS-ZUZCIYMTSA-N 1 0 308.426 0.838 10 0 DCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261950454 396083290 /nfs/dbraw/zinc/08/32/90/396083290.db2.gz WEXBQOKYXDVYDJ-CTWCOEIASA-N 1 0 323.437 0.646 10 0 DCAERO CNC(=O)COc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261967373 396084989 /nfs/dbraw/zinc/08/49/89/396084989.db2.gz QEXJOARRTXGZIL-UHFFFAOYSA-N 1 0 321.377 0.505 10 0 DCAERO Cc1sc(=O)n(Cc2nc([C@H]3C[NH2+]CCN3C)no2)c1C ZINC000263179852 396205382 /nfs/dbraw/zinc/20/53/82/396205382.db2.gz GPPSXFMPROOSTN-SNVBAGLBSA-N 1 0 309.395 0.534 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCNC(=O)c2cccs2)n1 ZINC000263215612 396206621 /nfs/dbraw/zinc/20/66/21/396206621.db2.gz KVMRBOJKKLJBMT-SNVBAGLBSA-N 1 0 321.406 0.680 10 0 DCAERO CC(=O)Nc1nc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cs1 ZINC000263230856 396207480 /nfs/dbraw/zinc/20/74/80/396207480.db2.gz NKJYHLDOOHYBGY-SECBINFHSA-N 1 0 308.367 0.728 10 0 DCAERO NC(=O)[C@H](NC(=O)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000263248812 396209177 /nfs/dbraw/zinc/20/91/77/396209177.db2.gz DMSHQRGNBNVRLK-SNVBAGLBSA-N 1 0 312.167 0.311 10 0 DCAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC(F)F ZINC000263249398 396209346 /nfs/dbraw/zinc/20/93/46/396209346.db2.gz PRDJELBDVRIBMK-MNOVXSKESA-N 1 0 302.321 0.967 10 0 DCAERO O=C(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Nc1cccc2cccnc21 ZINC000262565447 396156284 /nfs/dbraw/zinc/15/62/84/396156284.db2.gz XTCBQXIVFYJRJS-AAEUAGOBSA-N 1 0 314.345 0.012 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CNC(=O)Cc2ccccc2)n1 ZINC000263265616 396210133 /nfs/dbraw/zinc/21/01/33/396210133.db2.gz RMPBDQCJDSLFFS-ZDUSSCGKSA-N 1 0 315.377 0.505 10 0 DCAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262606686 396161101 /nfs/dbraw/zinc/16/11/01/396161101.db2.gz ZFLHOZHMHBNDSU-RWMBFGLXSA-N 1 0 317.455 0.434 10 0 DCAERO O=C(C[NH2+]CC1CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262611005 396161806 /nfs/dbraw/zinc/16/18/06/396161806.db2.gz IPGDKLRGSOMQLX-AWEZNQCLSA-N 1 0 309.410 0.083 10 0 DCAERO COc1ncnc(OC)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000177202697 396169366 /nfs/dbraw/zinc/16/93/66/396169366.db2.gz XQXYWUQVFWTQTD-MNOVXSKESA-N 1 0 308.382 0.952 10 0 DCAERO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177219070 396170005 /nfs/dbraw/zinc/17/00/05/396170005.db2.gz PIDPAAVTSFEZKT-KBMXLJTQSA-N 1 0 303.406 0.866 10 0 DCAERO O=C(NCCSCCCO)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262698096 396173666 /nfs/dbraw/zinc/17/36/66/396173666.db2.gz BOIZFDGLKQGICC-GFCCVEGCSA-N 1 0 312.439 0.653 10 0 DCAERO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)co1 ZINC000178886763 396212972 /nfs/dbraw/zinc/21/29/72/396212972.db2.gz UIUQMNIKNGEBEB-LLVKDONJSA-N 1 0 313.379 0.108 10 0 DCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC000177487185 396177334 /nfs/dbraw/zinc/17/73/34/396177334.db2.gz JDEWBPVLGQWLSY-QWHCGFSZSA-N 1 0 304.394 0.800 10 0 DCAERO COC(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262744166 396178129 /nfs/dbraw/zinc/17/81/29/396178129.db2.gz CZXVKQUFFQGSDE-PWSUYJOCSA-N 1 0 312.391 0.750 10 0 DCAERO CCn1nccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000262745904 396178747 /nfs/dbraw/zinc/17/87/47/396178747.db2.gz DRPZYFPAADRDNH-UHFFFAOYSA-N 1 0 316.427 0.422 10 0 DCAERO COc1ncccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177687785 396181109 /nfs/dbraw/zinc/18/11/09/396181109.db2.gz NKCCOFATJPGZEB-NSHDSACASA-N 1 0 304.350 0.335 10 0 DCAERO Cn1cc(N2CC[C@H](N3CC[N@@H+]4CCCC[C@@H]4C3)C2=O)cn1 ZINC000177769210 396182847 /nfs/dbraw/zinc/18/28/47/396182847.db2.gz UYRYYLFQEBRDRH-HIFRSBDPSA-N 1 0 303.410 0.696 10 0 DCAERO C[NH+]1CCC([C@H]2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)C2)CC1 ZINC000262809875 396183608 /nfs/dbraw/zinc/18/36/08/396183608.db2.gz TYVWWCJLYYAWIJ-ZDUSSCGKSA-N 1 0 317.437 0.859 10 0 DCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000178296074 396193107 /nfs/dbraw/zinc/19/31/07/396193107.db2.gz XYQJAGRXFUMWLL-ZDUSSCGKSA-N 1 0 305.382 0.598 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(Cn2ccc(C(F)(F)F)n2)n1 ZINC000263171342 396204635 /nfs/dbraw/zinc/20/46/35/396204635.db2.gz FTVUPWGHECAERJ-MRVPVSSYSA-N 1 0 316.287 0.909 10 0 DCAERO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000281677176 396234439 /nfs/dbraw/zinc/23/44/39/396234439.db2.gz RGKWJONMVQVTPX-ZYHUDNBSSA-N 1 0 302.396 0.382 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)NCC(C)(C)C[NH+](C)C)nc2n1 ZINC000077924899 396237503 /nfs/dbraw/zinc/23/75/03/396237503.db2.gz IDNKDLOUSCRMJQ-UHFFFAOYSA-N 1 0 318.425 0.988 10 0 DCAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000182006696 396244919 /nfs/dbraw/zinc/24/49/19/396244919.db2.gz NXLDFHKKMRHUAT-LLVKDONJSA-N 1 0 316.365 0.893 10 0 DCAERO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182053262 396246005 /nfs/dbraw/zinc/24/60/05/396246005.db2.gz IPTUCQZJSXFQTN-GFCCVEGCSA-N 1 0 323.422 0.857 10 0 DCAERO COCCOCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182556561 396251619 /nfs/dbraw/zinc/25/16/19/396251619.db2.gz GVUDPNAZLXRBOX-SJPCQFCGSA-N 1 0 311.470 0.892 10 0 DCAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183026193 396258857 /nfs/dbraw/zinc/25/88/57/396258857.db2.gz KRIBFYGEKYYXLJ-CHWSQXEVSA-N 1 0 314.455 0.802 10 0 DCAERO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000183169581 396263631 /nfs/dbraw/zinc/26/36/31/396263631.db2.gz UGNLUSHVYKRZDC-SMDDNHRTSA-N 1 0 314.407 0.870 10 0 DCAERO Cn1nnc2ccc(C(=O)Nc3ccn(CC[NH+](C)C)n3)cc21 ZINC000183438550 396269848 /nfs/dbraw/zinc/26/98/48/396269848.db2.gz PXDGBDJTEPPASS-UHFFFAOYSA-N 1 0 313.365 0.979 10 0 DCAERO CN1CC[NH2+]C[C@H]1c1noc(CCNC(=O)C2CCCCC2)n1 ZINC000263308737 396213083 /nfs/dbraw/zinc/21/30/83/396213083.db2.gz YGFNXGBPRKSJQG-ZDUSSCGKSA-N 1 0 321.425 0.885 10 0 DCAERO OCCC[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179748877 396229267 /nfs/dbraw/zinc/22/92/67/396229267.db2.gz KSCHCWZXJFTHPN-DLBZAZTESA-N 1 0 308.422 0.783 10 0 DCAERO Cn1nccc1CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000185114675 396317774 /nfs/dbraw/zinc/31/77/74/396317774.db2.gz ILHQTOVUDTZHJT-HNNXBMFYSA-N 1 0 308.426 0.706 10 0 DCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1nc2ccccn2n1 ZINC000184396564 396293703 /nfs/dbraw/zinc/29/37/03/396293703.db2.gz VTYQNUKDNKHHRS-LBPRGKRZSA-N 1 0 318.381 0.698 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000184777003 396305820 /nfs/dbraw/zinc/30/58/20/396305820.db2.gz HLPZPUJCADYZQC-INIZCTEOSA-N 1 0 324.469 0.711 10 0 DCAERO Cn1nccc1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185162438 396320506 /nfs/dbraw/zinc/32/05/06/396320506.db2.gz CWHPQTXGNSFVRH-UHFFFAOYSA-N 1 0 322.457 0.635 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCO1 ZINC000185749189 396334391 /nfs/dbraw/zinc/33/43/91/396334391.db2.gz KBPPKESZNBBFFP-CQSZACIVSA-N 1 0 315.377 0.874 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000186218327 396344817 /nfs/dbraw/zinc/34/48/17/396344817.db2.gz JVSRTPLVOWZYDU-CYBMUJFWSA-N 1 0 324.425 0.749 10 0 DCAERO CCOC(=O)c1nn(C)cc1CN1CC[NH+]([C@H](CC)CO)CC1 ZINC000186249205 396346348 /nfs/dbraw/zinc/34/63/48/396346348.db2.gz IXNRUZFIYRUIRU-CQSZACIVSA-N 1 0 324.425 0.485 10 0 DCAERO C[C@H]1CN(CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CCO ZINC000187649433 396372361 /nfs/dbraw/zinc/37/23/61/396372361.db2.gz PMXRSQDUSKPCRM-ZDUSSCGKSA-N 1 0 317.389 0.281 10 0 DCAERO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188864155 396387701 /nfs/dbraw/zinc/38/77/01/396387701.db2.gz IXBQUECSHDUPDW-GFCCVEGCSA-N 1 0 317.455 0.257 10 0 DCAERO O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189409210 396394860 /nfs/dbraw/zinc/39/48/60/396394860.db2.gz FPXQNGRVUYVSQM-ZDUSSCGKSA-N 1 0 315.439 0.155 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCOCC3)n2)[C@H](C)C1 ZINC000189926998 396400740 /nfs/dbraw/zinc/40/07/40/396400740.db2.gz BYRLTBKDVYEUDF-CHWSQXEVSA-N 1 0 324.425 0.851 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000190085511 396402026 /nfs/dbraw/zinc/40/20/26/396402026.db2.gz YBIRJZRNFHEARP-VXGBXAGGSA-N 1 0 318.377 0.019 10 0 DCAERO C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1CCO ZINC000190244179 396403565 /nfs/dbraw/zinc/40/35/65/396403565.db2.gz PHFPJXSSKJKZII-CQSZACIVSA-N 1 0 315.421 0.981 10 0 DCAERO COc1ccc(=O)n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000193115460 396444449 /nfs/dbraw/zinc/44/44/49/396444449.db2.gz LEZWBNXNFZMZJS-HNNXBMFYSA-N 1 0 315.373 0.671 10 0 DCAERO CC[NH+]1CCN([C@H]2CCN(C(=O)N(C)CCCOC)C2)CC1 ZINC000190629578 396408954 /nfs/dbraw/zinc/40/89/54/396408954.db2.gz YDJDBRKJGWSOAC-HNNXBMFYSA-N 1 0 312.458 0.787 10 0 DCAERO CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000190634169 396409014 /nfs/dbraw/zinc/40/90/14/396409014.db2.gz UQASCMJBYIQAQU-OLZOCXBDSA-N 1 0 314.430 0.263 10 0 DCAERO COCCN1CCCN(Cc2c(C)nn(C)c2OC)CC1=O ZINC000191701369 396423557 /nfs/dbraw/zinc/42/35/57/396423557.db2.gz FXLKHFVTMMHAGK-UHFFFAOYSA-N 1 0 310.398 0.418 10 0 DCAERO CCN(CC(N)=O)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000191811904 396425113 /nfs/dbraw/zinc/42/51/13/396425113.db2.gz FOOQDDNSYKDRRL-UHFFFAOYSA-N 1 0 318.421 0.776 10 0 DCAERO COCCCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000193179952 396445766 /nfs/dbraw/zinc/44/57/66/396445766.db2.gz IWUNEXHUGOURAZ-NWDGAFQWSA-N 1 0 306.428 0.166 10 0 DCAERO COc1ccnc(NC2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)n1 ZINC000192865942 396439759 /nfs/dbraw/zinc/43/97/59/396439759.db2.gz ZHPQSHAWYWEZMQ-LLVKDONJSA-N 1 0 307.398 0.838 10 0 DCAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cc(C(N)=O)co1 ZINC000188012917 396377795 /nfs/dbraw/zinc/37/77/95/396377795.db2.gz RMEUYERIECIESS-NSHDSACASA-N 1 0 308.382 0.862 10 0 DCAERO O=C([C@H]1C[NH2+]CCO1)N1CCC(c2nnc3ccccn32)CC1 ZINC000188039127 396378430 /nfs/dbraw/zinc/37/84/30/396378430.db2.gz CHSFYOBPZCABNP-CYBMUJFWSA-N 1 0 315.377 0.424 10 0 DCAERO CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000193296947 396448172 /nfs/dbraw/zinc/44/81/72/396448172.db2.gz JYTIVPCSBNTLLI-LBPRGKRZSA-N 1 0 311.407 0.500 10 0 DCAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN1c2ccccc2OCC1=O ZINC000270065595 396460516 /nfs/dbraw/zinc/46/05/16/396460516.db2.gz GAZPWDOJHBWFEM-STQMWFEESA-N 1 0 317.389 0.963 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270082514 396460873 /nfs/dbraw/zinc/46/08/73/396460873.db2.gz IWDVFCNVFRZDHP-AWEZNQCLSA-N 1 0 320.393 0.359 10 0 DCAERO CC(=O)N(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000371591006 396471762 /nfs/dbraw/zinc/47/17/62/396471762.db2.gz QOZYWFFSCVKXGT-HNNXBMFYSA-N 1 0 310.442 0.093 10 0 DCAERO FC(F)C(F)(F)COCCN1CCN2CCOC[C@@H]2C1 ZINC000372710583 396539185 /nfs/dbraw/zinc/53/91/85/396539185.db2.gz DGHVGJABXQZFBJ-JTQLQIEISA-N 1 0 300.296 0.920 10 0 DCAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)CN1C1CC1 ZINC000527752840 396547537 /nfs/dbraw/zinc/54/75/37/396547537.db2.gz IUSIVPWLMLBMAK-VKJFTORMSA-N 1 0 323.481 0.817 10 0 DCAERO CNS(=O)(=O)CCC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000305681140 396747068 /nfs/dbraw/zinc/74/70/68/396747068.db2.gz NQPLKBSEHFXXIT-UHFFFAOYSA-N 1 0 304.334 0.315 10 0 DCAERO O=C1CCC(=O)N1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464515 396751415 /nfs/dbraw/zinc/75/14/15/396751415.db2.gz DBXASTZSTPVFNI-NSHDSACASA-N 1 0 304.350 0.885 10 0 DCAERO CCN(CC[NH3+])S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000312212470 396763700 /nfs/dbraw/zinc/76/37/00/396763700.db2.gz QKNJXABRMPVBAL-UHFFFAOYSA-N 1 0 304.368 0.652 10 0 DCAERO C[C@H](CC[S@](C)=O)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610821116 396767989 /nfs/dbraw/zinc/76/79/89/396767989.db2.gz GEGSGBVUBDMDSG-FIKIJFGZSA-N 1 0 315.443 0.723 10 0 DCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCCO1 ZINC000313352230 396768937 /nfs/dbraw/zinc/76/89/37/396768937.db2.gz 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396921721 /nfs/dbraw/zinc/92/17/21/396921721.db2.gz ZQXQJUAHTRTRJS-OKILXGFUSA-N 1 0 303.410 0.749 10 0 DCAERO c1nc(N2CCOCC2)cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000634810236 396922148 /nfs/dbraw/zinc/92/21/48/396922148.db2.gz QFLUYUKHJKNURA-OKILXGFUSA-N 1 0 303.410 0.749 10 0 DCAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591632722 396952325 /nfs/dbraw/zinc/95/23/25/396952325.db2.gz HGLHOFSNWJHEQR-OAHLLOKOSA-N 1 0 320.389 0.814 10 0 DCAERO CO[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630363320 396994795 /nfs/dbraw/zinc/99/47/95/396994795.db2.gz YTAVGVHTBRGJCN-CMPLNLGQSA-N 1 0 303.359 0.348 10 0 DCAERO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000572707058 397085555 /nfs/dbraw/zinc/08/55/55/397085555.db2.gz RNMUEZBKAHUPHP-GFCCVEGCSA-N 1 0 315.377 0.731 10 0 DCAERO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H](F)C[C@H]1CO ZINC000364623828 397228636 /nfs/dbraw/zinc/22/86/36/397228636.db2.gz OKLJHYLMFMOFGN-VOAKCMCISA-N 1 0 315.389 0.796 10 0 DCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407969527 397341600 /nfs/dbraw/zinc/34/16/00/397341600.db2.gz ITSXWUJBAXGIDC-CYBMUJFWSA-N 1 0 308.426 0.877 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000408349316 397353491 /nfs/dbraw/zinc/35/34/91/397353491.db2.gz OPNGVEXEHUTULU-OLZOCXBDSA-N 1 0 306.428 0.196 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000441052700 397413223 /nfs/dbraw/zinc/41/32/23/397413223.db2.gz RIJRIBMTQSSTEO-GXFFZTMASA-N 1 0 321.425 0.774 10 0 DCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000368323639 397418694 /nfs/dbraw/zinc/41/86/94/397418694.db2.gz IEMBAGJZBLVYMT-GJZGRUSLSA-N 1 0 310.442 0.444 10 0 DCAERO CC1(C)C[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644062 397646426 /nfs/dbraw/zinc/64/64/26/397646426.db2.gz QFRQCTMAKRRFDK-ZIAGYGMSSA-N 1 0 310.442 0.491 10 0 DCAERO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)[nH]1 ZINC000604376510 397638000 /nfs/dbraw/zinc/63/80/00/397638000.db2.gz NGNRSCLXIYRMJP-OAHLLOKOSA-N 1 0 320.437 0.768 10 0 DCAERO O[C@H](COC[C@H]1CCCO1)CN1CCO[C@H](C(F)(F)F)C1 ZINC000606936279 397691376 /nfs/dbraw/zinc/69/13/76/397691376.db2.gz IVCKCMGMQHZJIL-TUAOUCFPSA-N 1 0 313.316 0.806 10 0 DCAERO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](C)CO)C1 ZINC000610369882 397817099 /nfs/dbraw/zinc/81/70/99/397817099.db2.gz MOIHOPNBXYWXPN-OLZOCXBDSA-N 1 0 300.399 0.348 10 0 DCAERO CC(C)OC(=O)CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478003 397825249 /nfs/dbraw/zinc/82/52/49/397825249.db2.gz BPIKKUNJOIUXJK-UHFFFAOYSA-N 1 0 311.386 0.908 10 0 DCAERO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180132138 292174576 /nfs/dbraw/zinc/17/45/76/292174576.db2.gz BNMLGKBPUYBCHN-YOEHRIQHSA-N 1 0 319.405 0.653 10 0 DCAERO CCOCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000093312688 286075747 /nfs/dbraw/zinc/07/57/47/286075747.db2.gz KDNVSTLWBXKMJM-OAHLLOKOSA-N 1 0 315.458 0.428 10 0 DCAERO CCOC[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408461005 286155128 /nfs/dbraw/zinc/15/51/28/286155128.db2.gz SNQSGUJKTVVPLS-MELADBBJSA-N 1 0 320.455 0.394 10 0 DCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2 ZINC000246437501 286296011 /nfs/dbraw/zinc/29/60/11/286296011.db2.gz DCTBBDMLFUPFSL-BFHYXJOUSA-N 1 0 319.467 0.919 10 0 DCAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1(C)C ZINC000163642916 286327974 /nfs/dbraw/zinc/32/79/74/286327974.db2.gz TYTXQXIYEWAGDN-GRYCIOLGSA-N 1 0 320.455 0.410 10 0 DCAERO CCS(=O)(=O)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261594646 286609223 /nfs/dbraw/zinc/60/92/23/286609223.db2.gz AQDQIKAMLZJASG-JTNHKYCSSA-N 1 0 318.439 0.070 10 0 DCAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NC(=O)NCc1ccco1 ZINC000061041492 158028354 /nfs/dbraw/zinc/02/83/54/158028354.db2.gz SNSAZTGRCPCLIZ-UHFFFAOYSA-N 1 0 320.393 0.776 10 0 DCAERO C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000079167517 158077799 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ZINC000329494551 159097301 /nfs/dbraw/zinc/09/73/01/159097301.db2.gz UNHHELGRAWBVLN-ZIAGYGMSSA-N 1 0 309.410 0.034 10 0 DCAERO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1N1CCOCC1 ZINC000329574612 159103971 /nfs/dbraw/zinc/10/39/71/159103971.db2.gz NVGJRVMHMSELSN-OLMNGRFOSA-N 1 0 324.421 0.217 10 0 DCAERO CN1CC[C@](O)(C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000329601382 159105862 /nfs/dbraw/zinc/10/58/62/159105862.db2.gz KNCBLYSINVJDJV-KRWDZBQOSA-N 1 0 304.438 0.702 10 0 DCAERO CC(=O)N1CCC[C@@](O)(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000330572675 159195441 /nfs/dbraw/zinc/19/54/41/159195441.db2.gz PNTYHRGRTFGSNP-INIZCTEOSA-N 1 0 311.426 0.350 10 0 DCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000332780899 159213305 /nfs/dbraw/zinc/21/33/05/159213305.db2.gz SZFBNIRZCPJQJH-RBSFLKMASA-N 1 0 321.425 0.776 10 0 DCAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367490109 159341131 /nfs/dbraw/zinc/34/11/31/159341131.db2.gz RAWGJOSPBVTBOA-UWTNAYQSSA-N 1 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ZINC000408144259 160046941 /nfs/dbraw/zinc/04/69/41/160046941.db2.gz HYRRQTPYBXVIPI-CABCVRRESA-N 1 0 323.437 0.568 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccnn2C)[C@@H](C)C1 ZINC000408237185 160066485 /nfs/dbraw/zinc/06/64/85/160066485.db2.gz MFFZPDGUYYQKLO-NWDGAFQWSA-N 1 0 300.428 0.771 10 0 DCAERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000408280223 160075419 /nfs/dbraw/zinc/07/54/19/160075419.db2.gz GHPPXENTZFKUGU-BLLLJJGKSA-N 1 0 311.426 0.112 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)[C@@H](C)CO1 ZINC000408404120 160101017 /nfs/dbraw/zinc/10/10/17/160101017.db2.gz NWFIBKFSEHXHRS-XQQFMLRXSA-N 1 0 305.444 0.366 10 0 DCAERO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000408405751 160101738 /nfs/dbraw/zinc/10/17/38/160101738.db2.gz RWASQJZVSUPQAC-MJBXVCDLSA-N 1 0 319.471 0.803 10 0 DCAERO CCNC(=O)C1CN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000126277730 286970801 /nfs/dbraw/zinc/97/08/01/286970801.db2.gz FQFMECDFKVTRIO-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/74/50/39/415745039.db2.gz LUAHLIVNWFPSCT-ILXRZTDVSA-N 1 0 310.442 0.491 10 0 DCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000333826834 415746870 /nfs/dbraw/zinc/74/68/70/415746870.db2.gz LUAHLIVNWFPSCT-RBSFLKMASA-N 1 0 310.442 0.491 10 0 DCAERO C[C@@]1(O)C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000333902915 415760807 /nfs/dbraw/zinc/76/08/07/415760807.db2.gz JCMVFWYCOVDILH-OTVXOJSOSA-N 1 0 311.426 0.844 10 0 DCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000333885227 415758275 /nfs/dbraw/zinc/75/82/75/415758275.db2.gz XAUXMJHBLCPCRQ-SECBINFHSA-N 1 0 308.304 0.502 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)c2ccnc(N3CCOCC3)n2)[N@H+](C)C1 ZINC000343872702 415759772 /nfs/dbraw/zinc/75/97/72/415759772.db2.gz LFCXDXWKAFHVMG-KBPBESRZSA-N 1 0 321.425 0.469 10 0 DCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(N2CCNC2=O)C1 ZINC000334016283 415786640 /nfs/dbraw/zinc/78/66/40/415786640.db2.gz ZBXARMLKSZQPGO-CYBMUJFWSA-N 1 0 323.441 0.526 10 0 DCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)C1 ZINC000334130406 415812828 /nfs/dbraw/zinc/81/28/28/415812828.db2.gz TWELQRXHTKGVAY-GDBMZVCRSA-N 1 0 321.425 0.771 10 0 DCAERO C[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336829247 415823200 /nfs/dbraw/zinc/82/32/00/415823200.db2.gz BXGOYIDFIOFPEA-KGLIPLIRSA-N 1 0 304.456 0.893 10 0 DCAERO COC(=O)CNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127938632 415892284 /nfs/dbraw/zinc/89/22/84/415892284.db2.gz MDJSRTBHTCJXCV-STQMWFEESA-N 1 0 308.382 0.636 10 0 DCAERO Cc1cc(=O)[nH]cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000129888807 415914337 /nfs/dbraw/zinc/91/43/37/415914337.db2.gz AZKBVAISKQCAHP-UHFFFAOYSA-N 1 0 320.437 0.687 10 0 DCAERO O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000134245721 415955657 /nfs/dbraw/zinc/95/56/57/415955657.db2.gz ZJSVLQZSQYVEGI-ZDUSSCGKSA-N 1 0 316.361 0.819 10 0 DCAERO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCCS1(=O)=O ZINC000151507809 415964567 /nfs/dbraw/zinc/96/45/67/415964567.db2.gz WFWGMAVAXCFMRW-OLZOCXBDSA-N 1 0 317.455 0.209 10 0 DCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000153178239 415977329 /nfs/dbraw/zinc/97/73/29/415977329.db2.gz JXULOYSHCKFJNE-VIFPVBQESA-N 1 0 304.803 0.642 10 0 DCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000153644844 415986853 /nfs/dbraw/zinc/98/68/53/415986853.db2.gz LEUAQDMNQRRUNC-KBPBESRZSA-N 1 0 302.440 0.770 10 0 DCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000171926154 416042979 /nfs/dbraw/zinc/04/29/79/416042979.db2.gz MPBRZPPXZZNSET-GHMZBOCLSA-N 1 0 310.398 0.341 10 0 DCAERO Cn1cc([C@H](CNc2cnn(C)c(=O)c2Cl)[NH+](C)C)cn1 ZINC000301304799 416079798 /nfs/dbraw/zinc/07/97/98/416079798.db2.gz XSEJTWBJDRDUFR-NSHDSACASA-N 1 0 310.789 0.882 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173899420 416067864 /nfs/dbraw/zinc/06/78/64/416067864.db2.gz OHCVAFVPJNWRRK-CABCVRRESA-N 1 0 310.442 0.587 10 0 DCAERO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000173912044 416068319 /nfs/dbraw/zinc/06/83/19/416068319.db2.gz HQHJDWMBPNPVRY-UONOGXRCSA-N 1 0 324.469 0.386 10 0 DCAERO COC(=O)c1ccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000301074041 416074197 /nfs/dbraw/zinc/07/41/97/416074197.db2.gz HNTPQOCZNZXWTG-LBPRGKRZSA-N 1 0 320.393 0.953 10 0 DCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000170831408 416034676 /nfs/dbraw/zinc/03/46/76/416034676.db2.gz CGXBHVSWVACVHP-UONOGXRCSA-N 1 0 318.425 0.791 10 0 DCAERO CCN(CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000170832729 416035063 /nfs/dbraw/zinc/03/50/63/416035063.db2.gz GWJYDRBAGQPERR-LBPRGKRZSA-N 1 0 320.459 0.004 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)CC ZINC000174674472 416083600 /nfs/dbraw/zinc/08/36/00/416083600.db2.gz PTYYOUVBCRUYBA-CHWSQXEVSA-N 1 0 317.455 0.689 10 0 DCAERO Cc1noc(-c2ccnc(NC[C@H](O)CN3CCOCC3)c2)n1 ZINC000301722031 416089974 /nfs/dbraw/zinc/08/99/74/416089974.db2.gz KCIBDILAVZLZSN-ZDUSSCGKSA-N 1 0 319.365 0.545 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000175010468 416093824 /nfs/dbraw/zinc/09/38/24/416093824.db2.gz LCJBMIZMWVJQCQ-VXGBXAGGSA-N 1 0 322.409 0.402 10 0 DCAERO CCn1cc(C2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cn1 ZINC000175062911 416095773 /nfs/dbraw/zinc/09/57/73/416095773.db2.gz CGVUCAQKSWOFJH-HNNXBMFYSA-N 1 0 306.410 0.940 10 0 DCAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c2cnn(C)c2n1 ZINC000175695070 416113298 /nfs/dbraw/zinc/11/32/98/416113298.db2.gz ATECIOJOAXKVAY-LBPRGKRZSA-N 1 0 317.393 0.679 10 0 DCAERO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cnsn3)C2)CC1 ZINC000175991044 416117557 /nfs/dbraw/zinc/11/75/57/416117557.db2.gz YVPFXVDPGTUYQD-LBPRGKRZSA-N 1 0 309.439 0.780 10 0 DCAERO O=C(COc1ccc(F)cc1)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328629983 416124175 /nfs/dbraw/zinc/12/41/75/416124175.db2.gz PIMOEBIUGICPNM-GFCCVEGCSA-N 1 0 304.325 1.574 10 0 DCAERO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000176636091 416131073 /nfs/dbraw/zinc/13/10/73/416131073.db2.gz XEPVNKMPGQNYIP-KBPBESRZSA-N 1 0 303.472 0.684 10 0 DCAERO CC(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000357793612 416133608 /nfs/dbraw/zinc/13/36/08/416133608.db2.gz OUJAKOAITPMXDN-CQSZACIVSA-N 1 0 310.442 0.981 10 0 DCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@]3(O)CCSC3)CC2)CCO1 ZINC000328968948 416143175 /nfs/dbraw/zinc/14/31/75/416143175.db2.gz NZNCPVFFCFCSAV-IUODEOHRSA-N 1 0 314.451 0.566 10 0 DCAERO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177329194 416144462 /nfs/dbraw/zinc/14/44/62/416144462.db2.gz MZBYABXBCMQYHO-GFCCVEGCSA-N 1 0 310.402 0.381 10 0 DCAERO CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357867472 416144849 /nfs/dbraw/zinc/14/48/49/416144849.db2.gz VMGXYDHVAZWLLL-KBPBESRZSA-N 1 0 310.442 0.981 10 0 DCAERO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177568266 416148005 /nfs/dbraw/zinc/14/80/05/416148005.db2.gz MKGMLZZLGFYTLV-NEPJUHHUSA-N 1 0 305.444 0.257 10 0 DCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000177851305 416153105 /nfs/dbraw/zinc/15/31/05/416153105.db2.gz WYSKORCDPZCOQR-CABCVRRESA-N 1 0 312.458 0.690 10 0 DCAERO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179123018 416182093 /nfs/dbraw/zinc/18/20/93/416182093.db2.gz STRAMKKUSBWEOD-UHFFFAOYSA-N 1 0 305.382 0.364 10 0 DCAERO CC(=O)NCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179276738 416185216 /nfs/dbraw/zinc/18/52/16/416185216.db2.gz CTWJIICIMXRACX-LSDHHAIUSA-N 1 0 304.394 0.867 10 0 DCAERO COCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000179387633 416186382 /nfs/dbraw/zinc/18/63/82/416186382.db2.gz JKMRMHSSPCRRMF-HNNXBMFYSA-N 1 0 319.405 0.643 10 0 DCAERO COc1cc(C)c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358074433 416186705 /nfs/dbraw/zinc/18/67/05/416186705.db2.gz RPIBUVLZFOWUTR-MRXNPFEDSA-N 1 0 308.378 0.809 10 0 DCAERO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000179677265 416190701 /nfs/dbraw/zinc/19/07/01/416190701.db2.gz GRFLPURZSDHGRO-CYBMUJFWSA-N 1 0 301.456 0.581 10 0 DCAERO COc1cc2c(cc1F)ncnc2NC[C@@H]1C[N@H+](C)CCN1C ZINC000330107935 416195724 /nfs/dbraw/zinc/19/57/24/416195724.db2.gz MVLLTHJXYKBCGJ-LLVKDONJSA-N 1 0 319.384 1.435 10 0 DCAERO O=C(NCCCOCCO)NC1CCN(c2ccccn2)CC1 ZINC000181480682 416208774 /nfs/dbraw/zinc/20/87/74/416208774.db2.gz YKTFSQNSBKIPOE-UHFFFAOYSA-N 1 0 322.409 0.749 10 0 DCAERO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C(N)=O)O1 ZINC000181744016 416211690 /nfs/dbraw/zinc/21/16/90/416211690.db2.gz GVRPBWDLKSVSJX-IUODEOHRSA-N 1 0 309.385 0.832 10 0 DCAERO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000182045666 416213499 /nfs/dbraw/zinc/21/34/99/416213499.db2.gz BVCVCCICEBSRIW-ZFWWWQNUSA-N 1 0 318.421 0.653 10 0 DCAERO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000182371464 416218945 /nfs/dbraw/zinc/21/89/45/416218945.db2.gz NXIPLNFQACTHMK-CABCVRRESA-N 1 0 312.458 0.833 10 0 DCAERO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1=O ZINC000182777443 416231388 /nfs/dbraw/zinc/23/13/88/416231388.db2.gz ZVLFHHKZIGRRDD-DZGCQCFKSA-N 1 0 315.377 0.143 10 0 DCAERO CCNC(=O)C1CN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000178122274 416158007 /nfs/dbraw/zinc/15/80/07/416158007.db2.gz LBFZXVZFDCWQQB-UHFFFAOYSA-N 1 0 319.405 0.835 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000329238244 416158515 /nfs/dbraw/zinc/15/85/15/416158515.db2.gz KZBALSCLNHDUDT-RFQIPJPRSA-N 1 0 317.455 0.366 10 0 DCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329362687 416164719 /nfs/dbraw/zinc/16/47/19/416164719.db2.gz HKHCUHWZZUWTHS-LRDDRELGSA-N 1 0 322.409 0.606 10 0 DCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000185472650 416255052 /nfs/dbraw/zinc/25/50/52/416255052.db2.gz AAVGTOMEQYPYIL-NEPJUHHUSA-N 1 0 322.409 0.627 10 0 DCAERO CCO[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCOCC2 ZINC000186283072 416256508 /nfs/dbraw/zinc/25/65/08/416256508.db2.gz MDSXDKFRRISSDD-NEPJUHHUSA-N 1 0 306.428 0.099 10 0 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BSYODDISCPEIMW-CQSZACIVSA-N 1 0 313.442 0.805 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cn(C)c(=O)cc2C)C1 ZINC000183000988 416235625 /nfs/dbraw/zinc/23/56/25/416235625.db2.gz RVNGDNBFGNWGRK-GFCCVEGCSA-N 1 0 320.393 0.233 10 0 DCAERO Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)n2)cc1 ZINC000193631521 416319001 /nfs/dbraw/zinc/31/90/01/416319001.db2.gz AVHYVROKXBTOSV-TZMCWYRMSA-N 1 0 314.393 0.905 10 0 DCAERO COCCCS(=O)(=O)NCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191156002 416284474 /nfs/dbraw/zinc/28/44/74/416284474.db2.gz JAGQKHFBYYBCNB-RYUDHWBXSA-N 1 0 308.444 0.176 10 0 DCAERO C[NH+](C)C1CCN(CCNC(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358942911 416295433 /nfs/dbraw/zinc/29/54/33/416295433.db2.gz VDOYERIATPKPPV-AWEZNQCLSA-N 1 0 312.458 0.330 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nnc2n1CCCC2 ZINC000247480550 416332997 /nfs/dbraw/zinc/33/29/97/416332997.db2.gz SPJRPFWMWYCJNF-STQMWFEESA-N 1 0 318.425 0.993 10 0 DCAERO Cc1cc(N2CC[C@@H](N3CCC[C@@H]([NH+](C)C)C3)C2=O)n(C)n1 ZINC000247707263 416333128 /nfs/dbraw/zinc/33/31/28/416333128.db2.gz ZEPUFWIKDUXSBM-ZIAGYGMSSA-N 1 0 305.426 0.860 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000248588300 416333568 /nfs/dbraw/zinc/33/35/68/416333568.db2.gz GRMCYJXCKTXOIG-RYUDHWBXSA-N 1 0 305.382 0.871 10 0 DCAERO CC(=O)NCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248874820 416334003 /nfs/dbraw/zinc/33/40/03/416334003.db2.gz QYNDLVGIHCXQGL-XJKSGUPXSA-N 1 0 318.421 0.942 10 0 DCAERO COC(=O)c1cn([C@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984075 416335985 /nfs/dbraw/zinc/33/59/85/416335985.db2.gz JMMIQLFHQPPHFL-WFASDCNBSA-N 1 0 307.398 0.701 10 0 DCAERO O=S(=O)(NCC1CC1)c1ccc(NCC[NH+]2CCCC2)nc1 ZINC000359492638 416347989 /nfs/dbraw/zinc/34/79/89/416347989.db2.gz ASVJJINOMMNGCG-UHFFFAOYSA-N 1 0 324.450 1.278 10 0 DCAERO NC(=O)NCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195312657 416325636 /nfs/dbraw/zinc/32/56/36/416325636.db2.gz KOABAFWJYKZGHA-CQSZACIVSA-N 1 0 302.378 0.775 10 0 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/nfs/dbraw/zinc/60/75/60/416607560.db2.gz FVYWJZDHCLLLKD-UHFFFAOYSA-N 1 0 321.487 0.863 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)C(=O)N2CCCC2)CC1 ZINC000543598213 416641880 /nfs/dbraw/zinc/64/18/80/416641880.db2.gz TZWVCQVDYKBOPB-AWEZNQCLSA-N 1 0 308.426 0.949 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000543672151 416645121 /nfs/dbraw/zinc/64/51/21/416645121.db2.gz IAYVXHUOACSWGD-STQMWFEESA-N 1 0 319.471 0.935 10 0 DCAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000545169570 416664844 /nfs/dbraw/zinc/66/48/44/416664844.db2.gz HRFSXDDSDZJHHM-UHFFFAOYSA-N 1 0 303.366 0.954 10 0 DCAERO CC[C@@H](C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)N1CCCC1=O ZINC000548018859 416684795 /nfs/dbraw/zinc/68/47/95/416684795.db2.gz IZPXTCYYIICWFY-NEPJUHHUSA-N 1 0 305.382 0.757 10 0 DCAERO CCN1CC[NH+](CCCCNC(=O)N(C)CCCO)CC1 ZINC000442389071 416692408 /nfs/dbraw/zinc/69/24/08/416692408.db2.gz VLPNHTNPKDXVQC-UHFFFAOYSA-N 1 0 300.447 0.428 10 0 DCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000369356026 416757314 /nfs/dbraw/zinc/75/73/14/416757314.db2.gz ZMQHSGHNMNDYFR-SYQHCUMBSA-N 1 0 308.426 0.731 10 0 DCAERO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000443858358 416788582 /nfs/dbraw/zinc/78/85/82/416788582.db2.gz VZGNDFFMCAZVTM-ZDUSSCGKSA-N 1 0 307.379 0.130 10 0 DCAERO CN(Cc1cccc(O)c1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631922236 416801001 /nfs/dbraw/zinc/80/10/01/416801001.db2.gz QIIYULWYXFNXEL-CYBMUJFWSA-N 1 0 300.380 0.142 10 0 DCAERO CCn1cnc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000631977478 416846047 /nfs/dbraw/zinc/84/60/47/416846047.db2.gz QWGPIIPTRYXCTK-NSHDSACASA-N 1 0 300.428 0.960 10 0 DCAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCSCC1 ZINC000519724490 416934003 /nfs/dbraw/zinc/93/40/03/416934003.db2.gz LGNPNRYQDYUAAR-WCQYABFASA-N 1 0 311.451 0.551 10 0 DCAERO Cc1ccc(F)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624386779 417023513 /nfs/dbraw/zinc/02/35/13/417023513.db2.gz XAGQKPHUVXAQEI-UHFFFAOYSA-N 1 0 302.371 0.920 10 0 DCAERO C[NH2+]CCOCCN(C)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000624396485 417029073 /nfs/dbraw/zinc/02/90/73/417029073.db2.gz SXROIIJTXQXHHR-BETUJISGSA-N 1 0 307.460 0.377 10 0 DCAERO Cc1nn(C)cc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000448627863 417086379 /nfs/dbraw/zinc/08/63/79/417086379.db2.gz NNYSKXFEOHBRSS-CHWSQXEVSA-N 1 0 308.426 0.887 10 0 DCAERO C[C@@H](OCc1ccccc1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000404359884 417119239 /nfs/dbraw/zinc/11/92/39/417119239.db2.gz DEMFQDHYNQXGJO-OAHLLOKOSA-N 1 0 305.422 0.955 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H]1C(N)=O ZINC000408048619 417136269 /nfs/dbraw/zinc/13/62/69/417136269.db2.gz OOIFUIOMJOOSIZ-OUAUKWLOSA-N 1 0 321.343 0.841 10 0 DCAERO COC(=O)[C@](C)(O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000408181321 417147134 /nfs/dbraw/zinc/14/71/34/417147134.db2.gz CDZSOSAGPQSDLV-OAHLLOKOSA-N 1 0 312.410 0.777 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N(C)CC[NH+]2CCCC2)[C@H](C)CO1 ZINC000408234201 417149236 /nfs/dbraw/zinc/14/92/36/417149236.db2.gz CUCUNQXVOQHYSN-CHWSQXEVSA-N 1 0 305.444 0.368 10 0 DCAERO CC[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000408349581 417155850 /nfs/dbraw/zinc/15/58/50/417155850.db2.gz RAVHQBHPQTVXQZ-ZIAGYGMSSA-N 1 0 320.455 0.538 10 0 DCAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000408357247 417155932 /nfs/dbraw/zinc/15/59/32/417155932.db2.gz JVZAWDGAYHVTMS-OCCSQVGLSA-N 1 0 319.409 0.561 10 0 DCAERO CC[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000408349577 417156201 /nfs/dbraw/zinc/15/62/01/417156201.db2.gz RAVHQBHPQTVXQZ-KGLIPLIRSA-N 1 0 320.455 0.538 10 0 DCAERO CCS(=O)(=O)C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621668523 417287742 /nfs/dbraw/zinc/28/77/42/417287742.db2.gz HQEMFGCZMXXGQN-GFCCVEGCSA-N 1 0 302.440 0.850 10 0 DCAERO Cc1nn(C)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000450973871 417288191 /nfs/dbraw/zinc/28/81/91/417288191.db2.gz ZFGKBGREAIJVLK-GFCCVEGCSA-N 1 0 308.426 0.575 10 0 DCAERO CCOC(=O)[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)CC12COC2 ZINC000452259959 417462295 /nfs/dbraw/zinc/46/22/95/417462295.db2.gz JZAXGEHIKNZETH-ZDUSSCGKSA-N 1 0 310.394 0.509 10 0 DCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000644147295 417481939 /nfs/dbraw/zinc/48/19/39/417481939.db2.gz OHJLGGSNMXBFKM-DTWKUNHWSA-N 1 0 301.368 0.092 10 0 DCAERO CN(C)c1ncccc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644324057 417537756 /nfs/dbraw/zinc/53/77/56/417537756.db2.gz PBYKPCCPMCCNLP-LBPRGKRZSA-N 1 0 306.366 0.460 10 0 DCAERO CN(Cc1nnnn1C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000532077811 417658210 /nfs/dbraw/zinc/65/82/10/417658210.db2.gz IUNNRFSUDGXOQK-UHFFFAOYSA-N 1 0 322.413 0.204 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659335051 418082921 /nfs/dbraw/zinc/08/29/21/418082921.db2.gz GXVIHCGBQZDGHZ-NEPJUHHUSA-N 1 0 302.440 0.835 10 0 DCAERO CS(=O)(=O)CC1(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659335065 418083341 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ZINC000247329109 300218732 /nfs/dbraw/zinc/21/87/32/300218732.db2.gz INZFMJYASIGJBQ-WDEREUQCSA-N 1 0 310.398 0.115 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000246721225 300317070 /nfs/dbraw/zinc/31/70/70/300317070.db2.gz LKMRANKISASUKB-QWRGUYRKSA-N 1 0 303.428 0.009 10 0 DCAERO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333667493 303830666 /nfs/dbraw/zinc/83/06/66/303830666.db2.gz XTXLPRGFJIDLBX-CZUORRHYSA-N 1 0 320.437 0.973 10 0 DCAERO Cc1nn(C)c(-n2cccn2)c1C(=O)N(C)CCC[NH+](C)C ZINC000570575964 332774810 /nfs/dbraw/zinc/77/48/10/332774810.db2.gz BPYKNXFTHSFRFU-UHFFFAOYSA-N 1 0 304.398 0.938 10 0 DCAERO CCn1c2ccccc2n(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1=O ZINC000170857056 332889197 /nfs/dbraw/zinc/88/91/97/332889197.db2.gz VJCUWYPZJSJLMY-ZDUSSCGKSA-N 1 0 316.405 0.985 10 0 DCAERO O=S(=O)(c1cc(F)ccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000570309056 332737918 /nfs/dbraw/zinc/73/79/18/332737918.db2.gz HALDUULLZPDABY-WDEREUQCSA-N 1 0 304.318 0.326 10 0 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317.158 0.898 10 0 DCAERO Cc1ccc(C)c(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262289297 545982884 /nfs/dbraw/zinc/98/28/84/545982884.db2.gz ONICOPGDAQCHIS-CZUORRHYSA-N 1 0 304.390 0.963 10 0 DCAERO O=C(COc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262329035 545983632 /nfs/dbraw/zinc/98/36/32/545983632.db2.gz SCTWYIGOBNTNEN-CABZTGNLSA-N 1 0 318.295 0.781 10 0 DCAERO O=C(COc1ccccc1C(F)(F)F)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262351469 545984382 /nfs/dbraw/zinc/98/43/82/545984382.db2.gz ULMMBHUTTDUEID-ONGXEEELSA-N 1 0 318.295 0.781 10 0 DCAERO CCOc1ccc(SCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262364789 545984466 /nfs/dbraw/zinc/98/44/66/545984466.db2.gz VMGRHLUPETXKSD-RISCZKNCSA-N 1 0 310.419 0.874 10 0 DCAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262384969 545985526 /nfs/dbraw/zinc/98/55/26/545985526.db2.gz XHFSJEQYJCHPIJ-HOCLYGCPSA-N 1 0 322.453 0.785 10 0 DCAERO C[N@@H+]1CC[C@](O)(CNC(=O)c2coc(Br)c2)C1 ZINC000358052857 546188835 /nfs/dbraw/zinc/18/88/35/546188835.db2.gz GRZIJVZWQFKWSW-NSHDSACASA-N 1 0 303.156 0.839 10 0 DCAERO [NH3+]Cc1nnn(C2CCOCC2)c1I ZINC000675051455 547658032 /nfs/dbraw/zinc/65/80/32/547658032.db2.gz LWQIWOGAFGAYOY-UHFFFAOYSA-N 1 0 308.123 0.693 10 0 DCAERO CC(C)(C)NC(=O)NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073760 547658567 /nfs/dbraw/zinc/65/85/67/547658567.db2.gz UEKYDWUUTWMPQW-GXFFZTMASA-N 1 0 303.428 0.251 10 0 DCAERO CCOC(=O)C1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722240929 660478554 /nfs/dbraw/zinc/47/85/54/660478554.db2.gz MXBRDRJBWITBFN-LBPRGKRZSA-N 1 0 304.412 0.343 10 0 DCAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697628 660516237 /nfs/dbraw/zinc/51/62/37/660516237.db2.gz HJKPGPKYIZQTOD-UONOGXRCSA-N 1 0 303.472 0.732 10 0 DCAERO Cn1cc(Cl)c(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1 ZINC000888094282 661159281 /nfs/dbraw/zinc/15/92/81/661159281.db2.gz HLZMQINIZAZTMN-OLZOCXBDSA-N 1 0 309.805 0.652 10 0 DCAERO COC(=O)[C@H](C)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000238798806 665482272 /nfs/dbraw/zinc/48/22/72/665482272.db2.gz IOPVKUXMOOOOTD-UWVGGRQHSA-N 1 0 317.386 0.119 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000723998092 657824093 /nfs/dbraw/zinc/82/40/93/657824093.db2.gz ILSGPCMUONCUOO-MELADBBJSA-N 1 0 302.440 0.815 10 0 DCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1c2cnccc2n(C)c1=O ZINC000160832314 658492331 /nfs/dbraw/zinc/49/23/31/658492331.db2.gz ZSSPBNQWOVHIKC-CHWSQXEVSA-N 1 0 301.394 0.861 10 0 DCAERO C[C@H]([NH3+])CCC(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000193191553 658616702 /nfs/dbraw/zinc/61/67/02/658616702.db2.gz USQSNFPGCPFEGP-LBPRGKRZSA-N 1 0 307.394 0.897 10 0 DCAERO COC(CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC000160911987 658711256 /nfs/dbraw/zinc/71/12/56/658711256.db2.gz SOBOJZCSAMDFFM-CYBMUJFWSA-N 1 0 313.442 0.670 10 0 DCAERO [NH3+]C1(C(=O)Nc2cccc(CN3CCOCC3)c2)CCOCC1 ZINC000261940960 658843633 /nfs/dbraw/zinc/84/36/33/658843633.db2.gz XKUJTJVGOCPJKL-UHFFFAOYSA-N 1 0 319.405 0.965 10 0 DCAERO C[C@@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CC[N@@H+]1CCO ZINC000249577043 661550732 /nfs/dbraw/zinc/55/07/32/661550732.db2.gz PTDXOKJFZDQPJR-IAQYHMDHSA-N 1 0 300.349 0.997 10 0 DCAERO O=C1[C@H](N2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916565 661843411 /nfs/dbraw/zinc/84/34/11/661843411.db2.gz YXKTYQIRNRVQAD-GDBMZVCRSA-N 1 0 310.394 0.258 10 0 DCAERO Cc1nccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000261989011 661945701 /nfs/dbraw/zinc/94/57/01/661945701.db2.gz BESIHNUFIWRJQF-HEHGZKQESA-N 1 0 304.394 0.934 10 0 DCAERO Cc1csc(NCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000909445935 662097344 /nfs/dbraw/zinc/09/73/44/662097344.db2.gz ROTVFWTXCRGCLI-RYUDHWBXSA-N 1 0 310.423 0.843 10 0 DCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000262223261 662176444 /nfs/dbraw/zinc/17/64/44/662176444.db2.gz FUOSUFCQDQBZFL-AWEZNQCLSA-N 1 0 305.378 0.793 10 0 DCAERO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250929680 663138680 /nfs/dbraw/zinc/13/86/80/663138680.db2.gz CCVPTPBJXSMQKW-AVGNSLFASA-N 1 0 317.455 0.149 10 0 DCAERO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912415003 664169201 /nfs/dbraw/zinc/16/92/01/664169201.db2.gz AWVRWXAKGBBCHQ-HZPDHXFCSA-N 1 0 304.390 0.728 10 0 DCAERO O=C(CCN1C(=O)CCC1=O)NCC1(C[NH+]2CCCCC2)CC1 ZINC000223562062 664416117 /nfs/dbraw/zinc/41/61/17/664416117.db2.gz HWERHHZFVKTUIW-UHFFFAOYSA-N 1 0 321.421 0.908 10 0 DCAERO COCCS(=O)(=O)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223600033 664417171 /nfs/dbraw/zinc/41/71/71/664417171.db2.gz HJWMJHFJPGZUNA-UHFFFAOYSA-N 1 0 320.455 0.445 10 0 DCAERO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1C[NH3+] ZINC000261570766 664709916 /nfs/dbraw/zinc/70/99/16/664709916.db2.gz PHCPPKPPMSPYDG-WPRPVWTQSA-N 1 0 306.819 0.821 10 0 DCAERO [NH3+]C[C@@H]1CN(c2nccn3nc(C(F)(F)F)cc23)CCO1 ZINC000132290595 666267970 /nfs/dbraw/zinc/26/79/70/666267970.db2.gz NJVKRJQYIQFXTF-MRVPVSSYSA-N 1 0 301.272 0.912 10 0 DCAERO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702834389 667002156 /nfs/dbraw/zinc/00/21/56/667002156.db2.gz XFFHRWYSQJLFKK-AAEUAGOBSA-N 1 0 310.398 0.738 10 0 DCAERO O=S(=O)(c1ccc(NC[C@H]2C[NH2+]C[C@H]2O)cc1)C(F)F ZINC000702858713 667005346 /nfs/dbraw/zinc/00/53/46/667005346.db2.gz HNPIDRXUCSSKJS-LDYMZIIASA-N 1 0 306.334 0.675 10 0 DCAERO Cn1ncc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Br)c1=O ZINC000703595541 667111524 /nfs/dbraw/zinc/11/15/24/667111524.db2.gz LEPDPYCVDCWSGI-QPUJVOFHSA-N 1 0 313.199 0.589 10 0 DCAERO Cc1nc2n(c1C)CCN(C(=O)[C@@H](C[NH3+])C1CCOCC1)C2 ZINC000864749280 667279452 /nfs/dbraw/zinc/27/94/52/667279452.db2.gz XHSHHHWESZIOMB-AWEZNQCLSA-N 1 0 306.410 0.844 10 0 DCAERO CCOC(=O)Cc1csc(NC(=O)[C@@H](N)C[NH+](C)C)n1 ZINC000707250254 667437333 /nfs/dbraw/zinc/43/73/33/667437333.db2.gz UOCHBBWXJGOFCY-VIFPVBQESA-N 1 0 300.384 0.076 10 0 DCAERO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000708222241 667442375 /nfs/dbraw/zinc/44/23/75/667442375.db2.gz AFVPJTKHMIMVDN-UHFFFAOYSA-N 1 0 310.370 0.566 10 0 DCAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708578462 667444216 /nfs/dbraw/zinc/44/42/16/667444216.db2.gz IZUUECOHMJSFPJ-INIZCTEOSA-N 1 0 305.422 0.691 10 0 DCAERO C[C@H](O)[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000717359233 667640546 /nfs/dbraw/zinc/64/05/46/667640546.db2.gz JYESRJZTQIIYNC-ZDEQEGDKSA-N 1 0 302.415 0.963 10 0 DCAERO CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000886082628 667730280 /nfs/dbraw/zinc/73/02/80/667730280.db2.gz YTPQKASVRKCVOV-MCIONIFRSA-N 1 0 319.471 0.109 10 0 DCAERO Cc1csc2c1ncnc2N(C)CC(=O)N1CC[NH2+]CC1 ZINC000222329688 667866398 /nfs/dbraw/zinc/86/63/98/667866398.db2.gz MYIISZYQKXVIDJ-UHFFFAOYSA-N 1 0 305.407 0.868 10 0 DCAERO CC(C)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717063069 668146967 /nfs/dbraw/zinc/14/69/67/668146967.db2.gz CKAMVYQRPXHIHT-IUCAKERBSA-N 1 0 303.350 0.783 10 0 DCAERO COCCOC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 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ZINC000333856957 284233138 /nfs/dbraw/zinc/23/31/38/284233138.db2.gz YMGYFGJSYZCWNM-HNNXBMFYSA-N 1 0 301.390 0.928 10 0 DCAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCCn2ccnn2)c1 ZINC000571756571 291530330 /nfs/dbraw/zinc/53/03/30/291530330.db2.gz UNRDVWSWVPRFRT-OAHLLOKOSA-N 1 0 318.377 0.900 10 0 DCAERO CC[NH+](CC)CCOC(=S)N[C@]1(C)CCS(=O)(=O)C1 ZINC000040166450 183042731 /nfs/dbraw/zinc/04/27/31/183042731.db2.gz CPWDMPNGWZIOCD-GFCCVEGCSA-N 1 0 308.469 0.797 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105233374 194087856 /nfs/dbraw/zinc/08/78/56/194087856.db2.gz WSZHYGJUMNCFIH-UHFFFAOYSA-N 1 0 324.469 0.977 10 0 DCAERO CN1CCO[C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000105280492 194093267 /nfs/dbraw/zinc/09/32/67/194093267.db2.gz KLHQGIILLDOVAW-HNNXBMFYSA-N 1 0 312.458 0.929 10 0 DCAERO CC[C@@H]1CN(CC(=O)NCc2ccco2)CC[N@@H+]1C[C@@H](C)O ZINC000105825325 194138763 /nfs/dbraw/zinc/13/87/63/194138763.db2.gz ZLIQVIRCLUVJGO-ZIAGYGMSSA-N 1 0 309.410 0.673 10 0 DCAERO CCOCCN1CC[N@H+](CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105835389 194143346 /nfs/dbraw/zinc/14/33/46/194143346.db2.gz RTYMFIZRXTYWHF-HNNXBMFYSA-N 1 0 313.442 0.278 10 0 DCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105873786 194153235 /nfs/dbraw/zinc/15/32/35/194153235.db2.gz LMZMUVWVTQCDGN-NXEZZACHSA-N 1 0 308.386 0.150 10 0 DCAERO Cc1cc(Br)cn(CC(=O)N2CC[NH2+]CC2)c1=O ZINC000057839037 184056011 /nfs/dbraw/zinc/05/60/11/184056011.db2.gz XHORBAKDXXIKQR-UHFFFAOYSA-N 1 0 314.183 0.351 10 0 DCAERO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065473978 184351489 /nfs/dbraw/zinc/35/14/89/184351489.db2.gz NWLBYRKDZOTXCY-CYBMUJFWSA-N 1 0 317.393 0.757 10 0 DCAERO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(=O)N1CCOCC1 ZINC000262277540 220469395 /nfs/dbraw/zinc/46/93/95/220469395.db2.gz LGNDQVCGBIFBFN-DYALKNRASA-N 1 0 323.437 0.504 10 0 DCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246989198 285194043 /nfs/dbraw/zinc/19/40/43/285194043.db2.gz 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ZINC000336829767 285361268 /nfs/dbraw/zinc/36/12/68/285361268.db2.gz AXCRRSSEGCOFLO-HBNTYKKESA-N 1 0 301.305 0.398 10 0 DCAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336829764 285361195 /nfs/dbraw/zinc/36/11/95/285361195.db2.gz AXCRRSSEGCOFLO-AXFHLTTASA-N 1 0 301.305 0.398 10 0 DCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000246527694 285388704 /nfs/dbraw/zinc/38/87/04/285388704.db2.gz VOPMTURDWONAIG-AVGNSLFASA-N 1 0 319.471 0.791 10 0 DCAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000329189362 304290529 /nfs/dbraw/zinc/29/05/29/304290529.db2.gz QRIOBULOCMXEJU-QWHCGFSZSA-N 1 0 305.382 0.579 10 0 DCAERO Cn1ncc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1C1CC1 ZINC000284495603 131086795 /nfs/dbraw/zinc/08/67/95/131086795.db2.gz NELRGFGYHUALTD-UONOGXRCSA-N 1 0 304.394 0.843 10 0 DCAERO Cn1cc(CCCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000285436224 131168276 /nfs/dbraw/zinc/16/82/76/131168276.db2.gz OCROZBVIKAFDJX-CABCVRRESA-N 1 0 321.425 0.467 10 0 DCAERO Cn1cc(CCCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000285436229 131168660 /nfs/dbraw/zinc/16/86/60/131168660.db2.gz OCROZBVIKAFDJX-HUUCEWRRSA-N 1 0 321.425 0.467 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163802222 132122623 /nfs/dbraw/zinc/12/26/23/132122623.db2.gz SQWSOJRRCGTSFQ-LLVKDONJSA-N 1 0 320.397 0.082 10 0 DCAERO Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1C ZINC000163967263 132126559 /nfs/dbraw/zinc/12/65/59/132126559.db2.gz CLCYHXFXFUQHEW-JTQLQIEISA-N 1 0 311.407 0.745 10 0 DCAERO CCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000164132056 132129157 /nfs/dbraw/zinc/12/91/57/132129157.db2.gz JSSLUOPOEQOTFO-ZDUSSCGKSA-N 1 0 323.368 0.773 10 0 DCAERO COc1cccc([C@H](O)C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000164221069 132132723 /nfs/dbraw/zinc/13/27/23/132132723.db2.gz OQSWSYSSBCLSHG-CVEARBPZSA-N 1 0 320.389 0.708 10 0 DCAERO C[C@](O)(CO)C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000090288607 395718571 /nfs/dbraw/zinc/71/85/71/395718571.db2.gz MEKLYXQJQSGWAX-UONOGXRCSA-N 1 0 303.786 0.550 10 0 DCAERO C[C@](O)(CO)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000090288347 395718591 /nfs/dbraw/zinc/71/85/91/395718591.db2.gz GVORBVNNQYFUNP-TZMCWYRMSA-N 1 0 303.786 0.550 10 0 DCAERO C[C@@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1O ZINC000090149572 395718739 /nfs/dbraw/zinc/71/87/39/395718739.db2.gz PSYLZXBLEOAOFL-UKRRQHHQSA-N 1 0 312.458 0.425 10 0 DCAERO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037219889 395726394 /nfs/dbraw/zinc/72/63/94/395726394.db2.gz LALKXALGIBNZQR-LLVKDONJSA-N 1 0 313.423 0.757 10 0 DCAERO Cc1cc(C)n2nc(CC(=O)NCC[NH2+]C(C)(C)C)nc2n1 ZINC000097594174 395759401 /nfs/dbraw/zinc/75/94/01/395759401.db2.gz AOMASRBGOSEDDT-UHFFFAOYSA-N 1 0 304.398 0.788 10 0 DCAERO COCc1ccccc1CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193615283 395773983 /nfs/dbraw/zinc/77/39/83/395773983.db2.gz KPIBBVXGFWFHTD-CALCHBBNSA-N 1 0 317.433 0.943 10 0 DCAERO Cn1nc2c(c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)CCC2 ZINC000270508912 395778311 /nfs/dbraw/zinc/77/83/11/395778311.db2.gz CHXJJVSOXFLIKJ-JTQLQIEISA-N 1 0 305.382 0.010 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1=O ZINC000194679292 395803682 /nfs/dbraw/zinc/80/36/82/395803682.db2.gz JWJRDSUOCFXGKY-LBPRGKRZSA-N 1 0 322.409 0.404 10 0 DCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000111266945 395804872 /nfs/dbraw/zinc/80/48/72/395804872.db2.gz FUXSQWPXNBPMHR-PSASIEDQSA-N 1 0 315.370 0.991 10 0 DCAERO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000111621964 395810704 /nfs/dbraw/zinc/81/07/04/395810704.db2.gz ULYQAHGLZSVLKN-CABCVRRESA-N 1 0 306.410 0.822 10 0 DCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC(=O)N(C)C ZINC000111840071 395814233 /nfs/dbraw/zinc/81/42/33/395814233.db2.gz DKVYECOHVHUBIH-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO COc1ccc(C(=O)NCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000195221760 395821803 /nfs/dbraw/zinc/82/18/03/395821803.db2.gz NPOHJQDRBKUURS-BETUJISGSA-N 1 0 303.362 0.103 10 0 DCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCc1ccccc1F ZINC000113438969 395830913 /nfs/dbraw/zinc/83/09/13/395830913.db2.gz KQDFGUJTNJYINC-JSGCOSHPSA-N 1 0 309.385 0.751 10 0 DCAERO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321353 395843305 /nfs/dbraw/zinc/84/33/05/395843305.db2.gz VGVZIQRBVFRSGV-MNOVXSKESA-N 1 0 305.382 0.586 10 0 DCAERO Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc12 ZINC000116789991 395846339 /nfs/dbraw/zinc/84/63/39/395846339.db2.gz NZBGJLXHPIQGRJ-ZDUSSCGKSA-N 1 0 317.393 0.679 10 0 DCAERO CCCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000223903574 395857171 /nfs/dbraw/zinc/85/71/71/395857171.db2.gz GKWQQYVRHRLVTN-JHJVBQTASA-N 1 0 302.440 0.658 10 0 DCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000194626685 395802185 /nfs/dbraw/zinc/80/21/85/395802185.db2.gz SORQKOVXUWAQRD-GFCCVEGCSA-N 1 0 322.409 0.452 10 0 DCAERO CCN(CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)S(C)(=O)=O ZINC000233462891 395887685 /nfs/dbraw/zinc/88/76/85/395887685.db2.gz QEEBKBKLZUFQIP-RYUDHWBXSA-N 1 0 305.444 0.162 10 0 DCAERO CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000234360477 395888260 /nfs/dbraw/zinc/88/82/60/395888260.db2.gz RIVGHVUQGHKWTH-ZYHUDNBSSA-N 1 0 311.407 0.465 10 0 DCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000245458701 395929434 /nfs/dbraw/zinc/92/94/34/395929434.db2.gz CZURLHIIRRWHKP-UKRRQHHQSA-N 1 0 324.469 0.515 10 0 DCAERO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236639106 395895183 /nfs/dbraw/zinc/89/51/83/395895183.db2.gz YRGDLNXABFATAD-KBPBESRZSA-N 1 0 310.442 0.173 10 0 DCAERO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000237135129 395903666 /nfs/dbraw/zinc/90/36/66/395903666.db2.gz NQJRWWICSSSQGR-LLVKDONJSA-N 1 0 312.391 0.893 10 0 DCAERO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000125917352 395907352 /nfs/dbraw/zinc/90/73/52/395907352.db2.gz ITXGFCILACSRDR-ZDUSSCGKSA-N 1 0 314.430 0.265 10 0 DCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000237304611 395909478 /nfs/dbraw/zinc/90/94/78/395909478.db2.gz SUFQAJJIGJYXJS-ZDUSSCGKSA-N 1 0 309.435 0.959 10 0 DCAERO Cc1ccc(C(N)=O)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118813575 395864310 /nfs/dbraw/zinc/86/43/10/395864310.db2.gz QICTVHKYAHFALZ-CYBMUJFWSA-N 1 0 320.393 0.888 10 0 DCAERO C[C@H]1C[NH+](CCCNC(=O)CCc2ccnn2C)C[C@H](C)O1 ZINC000119257829 395868893 /nfs/dbraw/zinc/86/88/93/395868893.db2.gz WEAVHINPABPFQL-KBPBESRZSA-N 1 0 308.426 0.968 10 0 DCAERO Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cn1 ZINC000227721831 395869976 /nfs/dbraw/zinc/86/99/76/395869976.db2.gz RYCTTZCUZMNNND-AWEZNQCLSA-N 1 0 306.391 0.667 10 0 DCAERO Nc1cc(N)[nH+]c(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000053450943 395884035 /nfs/dbraw/zinc/88/40/35/395884035.db2.gz DSDMLPUTUXDKRC-NXEZZACHSA-N 1 0 323.422 0.903 10 0 DCAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000053450137 395884134 /nfs/dbraw/zinc/88/41/34/395884134.db2.gz ORGBVGFEFFXBOR-UHFFFAOYSA-N 1 0 318.377 0.698 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000246247470 395945162 /nfs/dbraw/zinc/94/51/62/395945162.db2.gz NMIJVDWYZASVFT-GDBMZVCRSA-N 1 0 313.442 0.807 10 0 DCAERO C[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246560967 395952882 /nfs/dbraw/zinc/95/28/82/395952882.db2.gz UVBMGBSWNWFXQO-PMPSAXMXSA-N 1 0 309.454 0.897 10 0 DCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246852692 395959662 /nfs/dbraw/zinc/95/96/62/395959662.db2.gz CEWWPLNMSZCXEO-HUUCEWRRSA-N 1 0 306.410 0.639 10 0 DCAERO CCOCCN1CC[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CC ZINC000247232587 395969947 /nfs/dbraw/zinc/96/99/47/395969947.db2.gz RIZFYXACFOFQJW-HZPDHXFCSA-N 1 0 310.442 0.677 10 0 DCAERO CN1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000247348725 395972313 /nfs/dbraw/zinc/97/23/13/395972313.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 1 0 310.442 0.443 10 0 DCAERO COc1ccncc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150776591 395972456 /nfs/dbraw/zinc/97/24/56/395972456.db2.gz NDIZUHSZMBDONJ-AAEUAGOBSA-N 1 0 320.393 0.874 10 0 DCAERO C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247472793 395974258 /nfs/dbraw/zinc/97/42/58/395974258.db2.gz RVNDBLGBMFZUCV-UTUOFQBUSA-N 1 0 303.428 0.298 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-n1cnnn1 ZINC000247491414 395975310 /nfs/dbraw/zinc/97/53/10/395975310.db2.gz UGXDTTVOCTZRME-STQMWFEESA-N 1 0 312.377 0.971 10 0 DCAERO C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247542432 395975753 /nfs/dbraw/zinc/97/57/53/395975753.db2.gz RAELONGNDZZVIF-UMVBOHGHSA-N 1 0 306.410 0.972 10 0 DCAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151288160 395983059 /nfs/dbraw/zinc/98/30/59/395983059.db2.gz OOSMUQWXBFISKP-ZFWWWQNUSA-N 1 0 313.442 0.948 10 0 DCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000248390244 395984828 /nfs/dbraw/zinc/98/48/28/395984828.db2.gz HSPDKWZJAMCSTQ-GHMZBOCLSA-N 1 0 309.332 0.148 10 0 DCAERO CC[C@H]1CN(C(=O)NCCCn2ccnc2)CC[N@@H+]1C[C@H](C)O ZINC000248373992 395985606 /nfs/dbraw/zinc/98/56/06/395985606.db2.gz NDUPBBKWIQQFAM-GJZGRUSLSA-N 1 0 323.441 0.760 10 0 DCAERO CC[C@@H]1CN(C(=O)CCCC(=O)OC)CC[N@@H+]1C[C@H](C)O ZINC000248398950 395985946 /nfs/dbraw/zinc/98/59/46/395985946.db2.gz UWYIXUBWYAZTPY-QWHCGFSZSA-N 1 0 300.399 0.633 10 0 DCAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000248399577 395986442 /nfs/dbraw/zinc/98/64/42/395986442.db2.gz WADCSTMVUMQMEJ-FRRDWIJNSA-N 1 0 315.797 0.816 10 0 DCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000248460672 395989225 /nfs/dbraw/zinc/98/92/25/395989225.db2.gz WRPKLRBCEGWDMK-WCQYABFASA-N 1 0 320.393 0.169 10 0 DCAERO Cc1noc(CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000248630966 395992036 /nfs/dbraw/zinc/99/20/36/395992036.db2.gz PAZCRLIDLSDWEN-QWRGUYRKSA-N 1 0 311.386 0.017 10 0 DCAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000261837864 396071181 /nfs/dbraw/zinc/07/11/81/396071181.db2.gz OXINPSILKXXELU-LLVKDONJSA-N 1 0 321.425 0.980 10 0 DCAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153873068 396027290 /nfs/dbraw/zinc/02/72/90/396027290.db2.gz HHNWICKTIVZRFI-WBMJQRKESA-N 1 0 309.410 0.224 10 0 DCAERO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1noc2c1CCCC2 ZINC000067589055 396028376 /nfs/dbraw/zinc/02/83/76/396028376.db2.gz BARPYHVPLPCBSE-KOLCDFICSA-N 1 0 306.366 0.231 10 0 DCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000253548763 396030229 /nfs/dbraw/zinc/03/02/29/396030229.db2.gz KDLWUIDWTPOMQB-NEPJUHHUSA-N 1 0 306.366 0.034 10 0 DCAERO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cncnc1 ZINC000257179116 396034112 /nfs/dbraw/zinc/03/41/12/396034112.db2.gz CJKLWGGTZQYYNG-JKSUJKDBSA-N 1 0 312.373 0.699 10 0 DCAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000155537001 396053574 /nfs/dbraw/zinc/05/35/74/396053574.db2.gz ISBSMYPWXVJQNK-BETUJISGSA-N 1 0 314.389 0.948 10 0 DCAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CCOCC1 ZINC000261695504 396056963 /nfs/dbraw/zinc/05/69/63/396056963.db2.gz DKFJQXLNMSYIHP-GFCCVEGCSA-N 1 0 321.352 0.555 10 0 DCAERO C[C@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000261730334 396060135 /nfs/dbraw/zinc/06/01/35/396060135.db2.gz FVHGHIVMFZCETB-JTQLQIEISA-N 1 0 311.332 0.987 10 0 DCAERO COC(=O)c1cccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261731308 396060909 /nfs/dbraw/zinc/06/09/09/396060909.db2.gz JXDRAKHSXGUUDZ-CQSZACIVSA-N 1 0 306.362 0.843 10 0 DCAERO Cc1cc(NC(=O)CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)no1 ZINC000261746081 396062288 /nfs/dbraw/zinc/06/22/88/396062288.db2.gz JAQAYMPBUXNKON-MRXNPFEDSA-N 1 0 321.425 0.539 10 0 DCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249143024 396003563 /nfs/dbraw/zinc/00/35/63/396003563.db2.gz WKJLPOLMHRVKMV-ZIAGYGMSSA-N 1 0 304.456 0.941 10 0 DCAERO CC[C@@H](NS(N)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000152310212 396005298 /nfs/dbraw/zinc/00/52/98/396005298.db2.gz WGYKKOAYVBCOFQ-KGLIPLIRSA-N 1 0 313.423 0.459 10 0 DCAERO COC(=O)c1ncn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000152434760 396009576 /nfs/dbraw/zinc/00/95/76/396009576.db2.gz XDGVJSTWIKZMSH-AWEZNQCLSA-N 1 0 316.361 0.484 10 0 DCAERO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000249734414 396012154 /nfs/dbraw/zinc/01/21/54/396012154.db2.gz DEILFHYHIBLOID-LSDHHAIUSA-N 1 0 312.458 0.738 10 0 DCAERO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249844302 396013204 /nfs/dbraw/zinc/01/32/04/396013204.db2.gz ZZKGGMWYCSCHOP-QWHCGFSZSA-N 1 0 315.439 0.107 10 0 DCAERO [NH3+]Cc1ccc(-c2noc(CCN3C(=O)CCC3=O)n2)cc1 ZINC000262047081 396093764 /nfs/dbraw/zinc/09/37/64/396093764.db2.gz PUBFDVCZPNMLID-UHFFFAOYSA-N 1 0 300.318 0.887 10 0 DCAERO CN1C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2C1=O ZINC000170856128 396098629 /nfs/dbraw/zinc/09/86/29/396098629.db2.gz JSEPIGHMKVHZKY-NSHDSACASA-N 1 0 301.346 0.689 10 0 DCAERO C[C@]1(CN2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]C1 ZINC000262097118 396098927 /nfs/dbraw/zinc/09/89/27/396098927.db2.gz VHPCBWFBQBBAMF-HNNXBMFYSA-N 1 0 301.398 0.246 10 0 DCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1F ZINC000262115911 396100468 /nfs/dbraw/zinc/10/04/68/396100468.db2.gz KEIYTZVVQAQYDK-UHFFFAOYSA-N 1 0 315.295 0.608 10 0 DCAERO [NH3+]CC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCOCC1 ZINC000262121499 396101061 /nfs/dbraw/zinc/10/10/61/396101061.db2.gz FYBWUQHCSVITQT-UHFFFAOYSA-N 1 0 315.377 0.639 10 0 DCAERO COCCC[NH+]1CCC(NC(=O)NCc2ccnn2C)CC1 ZINC000171197487 396109531 /nfs/dbraw/zinc/10/95/31/396109531.db2.gz QCEICECUAOZUDM-UHFFFAOYSA-N 1 0 309.414 0.720 10 0 DCAERO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C ZINC000171636612 396120348 /nfs/dbraw/zinc/12/03/48/396120348.db2.gz IORBSAWWUOYJKV-UHFFFAOYSA-N 1 0 307.398 0.554 10 0 DCAERO 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/nfs/dbraw/zinc/07/69/26/396076926.db2.gz IKENBOMKSBIDRZ-UHFFFAOYSA-N 1 0 313.442 0.481 10 0 DCAERO Cc1nccn1CCCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161934585 396077860 /nfs/dbraw/zinc/07/78/60/396077860.db2.gz JOPVIAPHNPVNNV-ZDUSSCGKSA-N 1 0 300.428 0.595 10 0 DCAERO [NH3+][C@@H](C(=O)NCc1ccc(-n2cncn2)cc1)C1CCOCC1 ZINC000261906761 396077900 /nfs/dbraw/zinc/07/79/00/396077900.db2.gz XBNMOFGVEMTLNW-OAHLLOKOSA-N 1 0 315.377 0.637 10 0 DCAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261945228 396082332 /nfs/dbraw/zinc/08/23/32/396082332.db2.gz NKZUAKJDZIFDJO-CYBMUJFWSA-N 1 0 311.426 0.505 10 0 DCAERO [NH3+][C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000261966440 396085187 /nfs/dbraw/zinc/08/51/87/396085187.db2.gz SRTPCMNFJGQVRM-CQSZACIVSA-N 1 0 305.378 0.985 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(OCC(N)=O)cc2)n1 ZINC000263210917 396205838 /nfs/dbraw/zinc/20/58/38/396205838.db2.gz KIAAACMKEXJNQH-GFCCVEGCSA-N 1 0 317.349 0.177 10 0 DCAERO O=C([C@H]1CC(F)(F)CN1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263219896 396206739 /nfs/dbraw/zinc/20/67/39/396206739.db2.gz LREYDRCXYQZFAK-CHWSQXEVSA-N 1 0 317.380 0.554 10 0 DCAERO Cc1nc(COc2ccc(CNC[C@H]3C[NH2+]C[C@H]3O)cc2)no1 ZINC000263234213 396207844 /nfs/dbraw/zinc/20/78/44/396207844.db2.gz NTLAWLXMNYFRLR-DZGCQCFKSA-N 1 0 318.377 0.627 10 0 DCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccnc2ccncc21 ZINC000263254968 396208881 /nfs/dbraw/zinc/20/88/81/396208881.db2.gz QJUDYRNRZPBWMV-AWEZNQCLSA-N 1 0 301.350 0.668 10 0 DCAERO Cn1c(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc2ccc(F)cc21 ZINC000262539221 396152517 /nfs/dbraw/zinc/15/25/17/396152517.db2.gz QVPOZIIOJYLDAW-PWSUYJOCSA-N 1 0 306.341 0.094 10 0 DCAERO COC[C@@]1(C(=O)NC[C@@H]2COc3ccccc3O2)CC[NH2+]C1 ZINC000262566094 396156244 /nfs/dbraw/zinc/15/62/44/396156244.db2.gz WQEZHBPOUQULOA-MLGOLLRUSA-N 1 0 306.362 0.569 10 0 DCAERO COC(=O)C[C@H](NC(=O)[C@H](C)[NH3+])c1ccc(OC)cc1OC ZINC000262594717 396159617 /nfs/dbraw/zinc/15/96/17/396159617.db2.gz WDRBBJDIRVHFLC-CABZTGNLSA-N 1 0 310.350 0.771 10 0 DCAERO CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660032 396169035 /nfs/dbraw/zinc/16/90/35/396169035.db2.gz FXLSSNVRSQZLLN-GJZGRUSLSA-N 1 0 324.469 0.517 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177233850 396170327 /nfs/dbraw/zinc/17/03/27/396170327.db2.gz RSZKHSYSYHHDSN-ZBFHGGJFSA-N 1 0 318.421 0.350 10 0 DCAERO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000263275247 396210885 /nfs/dbraw/zinc/21/08/85/396210885.db2.gz ITHUJBLEALZAIF-UHFFFAOYSA-N 1 0 320.349 0.293 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000177409267 396174597 /nfs/dbraw/zinc/17/45/97/396174597.db2.gz AVBMTAOVAJCTIN-AWEZNQCLSA-N 1 0 301.408 0.837 10 0 DCAERO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[NH3+] ZINC000262745746 396178106 /nfs/dbraw/zinc/17/81/06/396178106.db2.gz LKCJVWAMPUKFPV-UHFFFAOYSA-N 1 0 306.771 0.754 10 0 DCAERO CCOc1ncccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177680776 396180882 /nfs/dbraw/zinc/18/08/82/396180882.db2.gz HURRWWDCUIGPBG-LBPRGKRZSA-N 1 0 318.377 0.725 10 0 DCAERO O=S(=O)(NCCNC1=[NH+]CCCN1)c1ccc(F)cc1F ZINC000262780092 396181451 /nfs/dbraw/zinc/18/14/51/396181451.db2.gz KNXJYRPXEOQWFS-UHFFFAOYSA-N 1 0 318.349 0.182 10 0 DCAERO C[C@@H](CS(C)(=O)=O)[NH2+]CCCNC(=O)c1cccs1 ZINC000183263594 396265533 /nfs/dbraw/zinc/26/55/33/396265533.db2.gz UGRYEIGSAFWDPT-JTQLQIEISA-N 1 0 304.437 0.891 10 0 DCAERO COC[C@](C)(CCO)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000079920241 396272699 /nfs/dbraw/zinc/27/26/99/396272699.db2.gz WEXVHZURQDPPEE-AWEZNQCLSA-N 1 0 316.423 0.342 10 0 DCAERO CC[C@H](O)CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000178994666 396217846 /nfs/dbraw/zinc/21/78/46/396217846.db2.gz HYVBQDFMCNBNDY-ZDUSSCGKSA-N 1 0 308.382 0.306 10 0 DCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)N1CCOCC1 ZINC000179641613 396228438 /nfs/dbraw/zinc/22/84/38/396228438.db2.gz QLYJUTGHACMGJV-ZDUSSCGKSA-N 1 0 314.430 0.121 10 0 DCAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000184737365 396303829 /nfs/dbraw/zinc/30/38/29/396303829.db2.gz PHGBXUDWVZJXGU-UOVKNHIHSA-N 1 0 310.369 0.819 10 0 DCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)N[C@H]1CCCc2ccccc21 ZINC000184733544 396304019 /nfs/dbraw/zinc/30/40/19/396304019.db2.gz JEJWLPXZOZRBKH-INMHGKMJSA-N 1 0 318.417 0.998 10 0 DCAERO CN1C[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CCC1=O ZINC000185931419 396338038 /nfs/dbraw/zinc/33/80/38/396338038.db2.gz CRNNKZJWSMYIAK-QWHCGFSZSA-N 1 0 309.797 0.947 10 0 DCAERO C[C@]1(C(N)=O)CCCCN1CCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185963142 396338400 /nfs/dbraw/zinc/33/84/00/396338400.db2.gz TWEFOBUGKRDDDR-CALCHBBNSA-N 1 0 324.469 0.836 10 0 DCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000186326379 396348039 /nfs/dbraw/zinc/34/80/39/396348039.db2.gz QBOWVFVAADQFPG-NEPJUHHUSA-N 1 0 305.444 0.305 10 0 DCAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000186712658 396355936 /nfs/dbraw/zinc/35/59/36/396355936.db2.gz XANAWIZVSWGOJA-RYUDHWBXSA-N 1 0 322.409 0.355 10 0 DCAERO C[N@H+](CC(=O)NC(=O)NCc1cccs1)CC1(CO)CC1 ZINC000186766809 396357820 /nfs/dbraw/zinc/35/78/20/396357820.db2.gz QQIZICYCQZRRRU-UHFFFAOYSA-N 1 0 311.407 0.778 10 0 DCAERO Cn1c(=O)cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n(C)c1=O ZINC000187766109 396373467 /nfs/dbraw/zinc/37/34/67/396373467.db2.gz QHMKLRSBJDZSED-ZIAGYGMSSA-N 1 0 317.393 0.554 10 0 DCAERO COCCN1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000285389544 396350028 /nfs/dbraw/zinc/35/00/28/396350028.db2.gz DDGSTWILBQFMQZ-GFCCVEGCSA-N 1 0 317.231 0.956 10 0 DCAERO CC[NH+]1CCC(CCNC(=O)N2CCCN(C)C(=O)C2)CC1 ZINC000188303121 396380855 /nfs/dbraw/zinc/38/08/55/396380855.db2.gz GCZAZTWBDXLBQH-UHFFFAOYSA-N 1 0 310.442 0.982 10 0 DCAERO CC(=O)N1CC(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000188296438 396381128 /nfs/dbraw/zinc/38/11/28/396381128.db2.gz ODEANOLCQWXURA-GFCCVEGCSA-N 1 0 309.410 0.176 10 0 DCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000189195796 396391907 /nfs/dbraw/zinc/39/19/07/396391907.db2.gz QXBJYHFBHGSWAR-LSDHHAIUSA-N 1 0 305.378 0.418 10 0 DCAERO O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189409189 396394892 /nfs/dbraw/zinc/39/48/92/396394892.db2.gz FPXQNGRVUYVSQM-CYBMUJFWSA-N 1 0 315.439 0.155 10 0 DCAERO O=C(NC1CN(C(=O)NCCCC[NH+]2CCCC2)C1)C1CC1 ZINC000190237799 396403649 /nfs/dbraw/zinc/40/36/49/396403649.db2.gz ZBUUQPXDAXRKHD-UHFFFAOYSA-N 1 0 308.426 0.782 10 0 DCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cn(C)nc1C ZINC000190343473 396405229 /nfs/dbraw/zinc/40/52/29/396405229.db2.gz ZBHPCFAMALZGLX-QWHCGFSZSA-N 1 0 319.409 0.752 10 0 DCAERO CCc1nnc(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000190644850 396408734 /nfs/dbraw/zinc/40/87/34/396408734.db2.gz CMPVFWHDBOIPGS-AWEZNQCLSA-N 1 0 323.441 0.240 10 0 DCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnnn1CC(F)(F)F ZINC000190892016 396412733 /nfs/dbraw/zinc/41/27/33/396412733.db2.gz XRSCPZHEFFGGGK-VHSXEESVSA-N 1 0 304.320 0.904 10 0 DCAERO C[C@H]1CN(S(=O)(=O)N2CC[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000191088471 396415038 /nfs/dbraw/zinc/41/50/38/396415038.db2.gz IYRNFKCGMKDGOS-RYUDHWBXSA-N 1 0 303.428 0.120 10 0 DCAERO C[C@@H]1CN(S(=O)(=O)N2CC[NH+]3CCC2CC3)C[C@@H](C)O1 ZINC000191088486 396415146 /nfs/dbraw/zinc/41/51/46/396415146.db2.gz IYRNFKCGMKDGOS-VXGBXAGGSA-N 1 0 303.428 0.120 10 0 DCAERO C[C@@H](NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)C ZINC000192353180 396430763 /nfs/dbraw/zinc/43/07/63/396430763.db2.gz JQSCHDCTBDTBJF-RISCZKNCSA-N 1 0 319.405 0.952 10 0 DCAERO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000286153381 396377504 /nfs/dbraw/zinc/37/75/04/396377504.db2.gz LLNVNWUSKRNRHY-BXUZGUMPSA-N 1 0 307.369 0.837 10 0 DCAERO CCN(CC)C(=O)CN1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193295274 396448066 /nfs/dbraw/zinc/44/80/66/396448066.db2.gz YTPIWBMURPTONW-CQSZACIVSA-N 1 0 312.458 0.517 10 0 DCAERO C[C@@H]([NH3+])CCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000193303882 396448706 /nfs/dbraw/zinc/44/87/06/396448706.db2.gz VIGOFMFNNDEHTQ-TZMCWYRMSA-N 1 0 301.456 0.438 10 0 DCAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)CC3(O)CCC3)[C@H]2C1 ZINC000528502052 396558193 /nfs/dbraw/zinc/55/81/93/396558193.db2.gz JAHZHRNQCXVCHD-VGWMRTNUSA-N 1 0 310.438 0.889 10 0 DCAERO COC[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000561810181 396647862 /nfs/dbraw/zinc/64/78/62/396647862.db2.gz GNEUFUCEOLGNBI-INIZCTEOSA-N 1 0 321.421 0.171 10 0 DCAERO CC[NH+](CC)CCNC(=O)NCCCN1CCCS1(=O)=O ZINC000587123143 396671194 /nfs/dbraw/zinc/67/11/94/396671194.db2.gz FMSRJHOYQMVFMZ-UHFFFAOYSA-N 1 0 320.459 0.053 10 0 DCAERO COC[C@@H](O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000374641629 396677618 /nfs/dbraw/zinc/67/76/18/396677618.db2.gz OHIWVMPHWWVIET-CWRNSKLLSA-N 1 0 321.421 0.813 10 0 DCAERO CSCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374833518 396690686 /nfs/dbraw/zinc/69/06/86/396690686.db2.gz FFIGQRWHYRIQLR-LBPRGKRZSA-N 1 0 308.469 0.476 10 0 DCAERO COc1cccc2c1CC[N@H+](CCS(=O)(=O)N(C)C)CC2 ZINC000375617380 396781464 /nfs/dbraw/zinc/78/14/64/396781464.db2.gz NBIOZTFCANLWTN-UHFFFAOYSA-N 1 0 312.435 0.987 10 0 DCAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000305654168 396744362 /nfs/dbraw/zinc/74/43/62/396744362.db2.gz VMADTOSIHVBYEX-STQMWFEESA-N 1 0 304.456 0.893 10 0 DCAERO C[C@@H](Cc1cccs1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000311986194 396761299 /nfs/dbraw/zinc/76/12/99/396761299.db2.gz NQCBCIBUPPODPN-WDEREUQCSA-N 1 0 304.437 0.587 10 0 DCAERO CC(=O)N(C)CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700069 396777209 /nfs/dbraw/zinc/77/72/09/396777209.db2.gz ZURXSYAXYBDIIN-MRXNPFEDSA-N 1 0 319.405 0.348 10 0 DCAERO c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)nc(N2CCOCC2)n1 ZINC000629675503 396818208 /nfs/dbraw/zinc/81/82/08/396818208.db2.gz VOZADRAALATOMK-JTQLQIEISA-N 1 0 302.338 0.788 10 0 DCAERO CCN(Cc1nnc(C)o1)[C@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC000328627822 396826201 /nfs/dbraw/zinc/82/62/01/396826201.db2.gz GPABGMQVNNEWBR-QLFBSQMISA-N 1 0 324.425 0.814 10 0 DCAERO Cc1nc2cncc(N3CC[NH+](CCn4cccn4)CC3)n2n1 ZINC000328648034 396828974 /nfs/dbraw/zinc/82/89/74/396828974.db2.gz UHNOTMPBROLZPF-UHFFFAOYSA-N 1 0 312.381 0.451 10 0 DCAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2COCCN2C)cc1 ZINC000629600353 396803974 /nfs/dbraw/zinc/80/39/74/396803974.db2.gz UTPXDHPQTFBEOH-HZPDHXFCSA-N 1 0 322.405 0.549 10 0 DCAERO CCc1n[nH]cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591185160 396884871 /nfs/dbraw/zinc/88/48/71/396884871.db2.gz TZSUCPMWAFTJDZ-LLVKDONJSA-N 1 0 307.398 0.289 10 0 DCAERO CS(=O)(=O)C1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634758862 396909346 /nfs/dbraw/zinc/90/93/46/396909346.db2.gz XWKXGEXWOJHGKN-FZMZJTMJSA-N 1 0 300.424 0.412 10 0 DCAERO CCO[C@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)C12CCOCC2 ZINC000333826251 396933575 /nfs/dbraw/zinc/93/35/75/396933575.db2.gz RXEOVFNOYHXYLS-RDBSUJKOSA-N 1 0 311.426 0.964 10 0 DCAERO COc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1O ZINC000591716975 396988861 /nfs/dbraw/zinc/98/88/61/396988861.db2.gz SFSVZECBJURNFH-UHFFFAOYSA-N 1 0 314.407 0.916 10 0 DCAERO CO[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@@](C)(C[NH3+])C1 ZINC000630360482 396994080 /nfs/dbraw/zinc/99/40/80/396994080.db2.gz GEAOCMKQOOBGGS-LDYMZIIASA-N 1 0 322.818 0.200 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])c1 ZINC000630363423 396994686 /nfs/dbraw/zinc/99/46/86/396994686.db2.gz NAOGHYGVOLIPQA-CMPLNLGQSA-N 1 0 302.400 0.030 10 0 DCAERO CCCN(CCC)S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630363143 396995097 /nfs/dbraw/zinc/99/50/97/396995097.db2.gz XXESGYMIAPBAGP-CHWSQXEVSA-N 1 0 307.460 0.791 10 0 DCAERO CCOC(=O)C1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000571617280 396970892 /nfs/dbraw/zinc/97/08/92/396970892.db2.gz BJCMCFOMRWAEBV-CYBMUJFWSA-N 1 0 310.394 0.530 10 0 DCAERO CC(=O)CSCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000597696706 397066893 /nfs/dbraw/zinc/06/68/93/397066893.db2.gz XJPXZKXHRJOLFD-OLZOCXBDSA-N 1 0 300.424 0.630 10 0 DCAERO CC(=O)CSCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598541828 397247373 /nfs/dbraw/zinc/24/73/73/397247373.db2.gz WDIFKGBMSPGKPO-CYBMUJFWSA-N 1 0 302.440 0.878 10 0 DCAERO Cn1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1=O ZINC000379256957 397268072 /nfs/dbraw/zinc/26/80/72/397268072.db2.gz FTHBGHQAXURIJJ-UWVGGRQHSA-N 1 0 303.284 0.880 10 0 DCAERO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc21 ZINC000381474565 397272907 /nfs/dbraw/zinc/27/29/07/397272907.db2.gz MAASECIUSOCRCO-ZJUUUORDSA-N 1 0 311.407 0.610 10 0 DCAERO CCN(CC[NH3+])S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000383545446 397278188 /nfs/dbraw/zinc/27/81/88/397278188.db2.gz QYZIEMKJROBRRD-UHFFFAOYSA-N 1 0 303.340 0.573 10 0 DCAERO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000393707485 397307261 /nfs/dbraw/zinc/30/72/61/397307261.db2.gz VMCCGSANAVRSKF-LLVKDONJSA-N 1 0 303.380 0.324 10 0 DCAERO C[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000407958410 397336604 /nfs/dbraw/zinc/33/66/04/397336604.db2.gz RKBSAECTXRQXBJ-ZIAGYGMSSA-N 1 0 310.442 0.979 10 0 DCAERO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000408349319 397353774 /nfs/dbraw/zinc/35/37/74/397353774.db2.gz OPNGVEXEHUTULU-QWHCGFSZSA-N 1 0 306.428 0.196 10 0 DCAERO NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000366540258 397373087 /nfs/dbraw/zinc/37/30/87/397373087.db2.gz WGIAZPYNTGCZQN-JSGCOSHPSA-N 1 0 309.410 0.354 10 0 DCAERO CC(=O)c1ncc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000614071410 397376765 /nfs/dbraw/zinc/37/67/65/397376765.db2.gz QXAXCYTYEXNHSR-CQSZACIVSA-N 1 0 311.407 0.874 10 0 DCAERO C[N@H+](C[C@@H](O)Cn1cccn1)C1CCN(c2ncccn2)CC1 ZINC000365833852 397323063 /nfs/dbraw/zinc/32/30/63/397323063.db2.gz QQULACSPJJTHJI-OAHLLOKOSA-N 1 0 316.409 0.635 10 0 DCAERO CCC(=O)N[C@@H]1CCCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000471653157 397451483 /nfs/dbraw/zinc/45/14/83/397451483.db2.gz IXRJPXCSUUNGOV-CYBMUJFWSA-N 1 0 314.430 0.265 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371243236 397562101 /nfs/dbraw/zinc/56/21/01/397562101.db2.gz JIZVKYLFLCKLJC-MGPQQGTHSA-N 1 0 311.451 0.898 10 0 DCAERO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371519 397637797 /nfs/dbraw/zinc/63/77/97/397637797.db2.gz UHKCQZREPPQCNO-ZDUSSCGKSA-N 1 0 321.425 0.108 10 0 DCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)[N@H+](C)C1 ZINC000408041766 286082248 /nfs/dbraw/zinc/08/22/48/286082248.db2.gz IHIOWYJJEUSZTQ-NAKRPEOUSA-N 1 0 310.316 0.620 10 0 DCAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C ZINC000186720258 286501673 /nfs/dbraw/zinc/50/16/73/286501673.db2.gz VTOSHPWZWFBKGK-MEDUHNTESA-N 1 0 313.442 0.892 10 0 DCAERO CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037811520 286622569 /nfs/dbraw/zinc/62/25/69/286622569.db2.gz XAKKUMYHVQZJGT-ZDUSSCGKSA-N 1 0 311.407 0.299 10 0 DCAERO CCOCCOCC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000056981800 158023892 /nfs/dbraw/zinc/02/38/92/158023892.db2.gz OTRLTVSXRDIALA-AWEZNQCLSA-N 1 0 301.431 0.182 10 0 DCAERO COCC[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000061170853 158028624 /nfs/dbraw/zinc/02/86/24/158028624.db2.gz MYTPAAYFVVLLCN-KRWDZBQOSA-N 1 0 308.422 0.828 10 0 DCAERO CC(=O)NCCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000063722958 158031003 /nfs/dbraw/zinc/03/10/03/158031003.db2.gz ARXBYUZCCLHBGL-UHFFFAOYSA-N 1 0 307.394 0.883 10 0 DCAERO COCC[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000072751475 158051937 /nfs/dbraw/zinc/05/19/37/158051937.db2.gz MYTPAAYFVVLLCN-QGZVFWFLSA-N 1 0 308.422 0.828 10 0 DCAERO CC1(C)NC(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)C1=O ZINC000072622638 158052228 /nfs/dbraw/zinc/05/22/28/158052228.db2.gz TWLGEUTWSLJIKY-UHFFFAOYSA-N 1 0 324.425 0.699 10 0 DCAERO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077679768 158068957 /nfs/dbraw/zinc/06/89/57/158068957.db2.gz OQJANPQYRCEEPG-UHFFFAOYSA-N 1 0 317.349 0.743 10 0 DCAERO CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089459727 158097408 /nfs/dbraw/zinc/09/74/08/158097408.db2.gz NXAVALRIXUXKQT-DGCLKSJQSA-N 1 0 317.455 0.292 10 0 DCAERO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000089962708 158099929 /nfs/dbraw/zinc/09/99/29/158099929.db2.gz BBSDBXSITHLWEL-CVEARBPZSA-N 1 0 312.373 0.842 10 0 DCAERO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CC1CC(O)C1)C(=O)OC ZINC000091491040 158108084 /nfs/dbraw/zinc/10/80/84/158108084.db2.gz IZWXCZOQTLDHDR-MLCFOIATSA-N 1 0 300.399 0.393 10 0 DCAERO Cn1cnc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000092377473 158114048 /nfs/dbraw/zinc/11/40/48/158114048.db2.gz REDPZEOYSFRDQQ-ZDUSSCGKSA-N 1 0 306.414 0.975 10 0 DCAERO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCOCC1 ZINC000106891608 158134078 /nfs/dbraw/zinc/13/40/78/158134078.db2.gz FHHJMEVWGFAOTO-LBPRGKRZSA-N 1 0 303.428 0.170 10 0 DCAERO Cc1nn(C)cc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000113180578 158145308 /nfs/dbraw/zinc/14/53/08/158145308.db2.gz ARFKCUMROKXCFU-OAHLLOKOSA-N 1 0 319.453 0.971 10 0 DCAERO NS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000115632266 158162888 /nfs/dbraw/zinc/16/28/88/158162888.db2.gz BJMRBRMJRPBISQ-AWEZNQCLSA-N 1 0 313.423 0.225 10 0 DCAERO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000116889577 158166941 /nfs/dbraw/zinc/16/69/41/158166941.db2.gz IARZSTLPNYRTNG-LBPRGKRZSA-N 1 0 303.428 0.059 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000116789219 158167534 /nfs/dbraw/zinc/16/75/34/158167534.db2.gz JKLILHRBVWQGAM-QWHCGFSZSA-N 1 0 324.450 0.901 10 0 DCAERO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000119441544 158187023 /nfs/dbraw/zinc/18/70/23/158187023.db2.gz VHDRZPOCLXXYSL-CABCVRRESA-N 1 0 320.437 0.658 10 0 DCAERO C[NH+](C)C1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000120656508 158202061 /nfs/dbraw/zinc/20/20/61/158202061.db2.gz YTTOYCMRHYSNBX-UHFFFAOYSA-N 1 0 324.425 0.650 10 0 DCAERO CCCN(C)S(=O)(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000120697787 158202182 /nfs/dbraw/zinc/20/21/82/158202182.db2.gz DQEDTWOMMDUPID-CYBMUJFWSA-N 1 0 307.460 0.616 10 0 DCAERO O=C(Nc1ccsc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000125580073 158256252 /nfs/dbraw/zinc/25/62/52/158256252.db2.gz ZRBQZLPFLHEIPX-LBPRGKRZSA-N 1 0 309.391 0.620 10 0 DCAERO C[C@@H]1C[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000126234021 158263068 /nfs/dbraw/zinc/26/30/68/158263068.db2.gz IALKDQTUALAAQJ-FVCCEPFGSA-N 1 0 317.455 0.555 10 0 DCAERO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH2+]C[C@@H]1C)C2=O ZINC000126469431 158266171 /nfs/dbraw/zinc/26/61/71/158266171.db2.gz VLXHBRURABJPJZ-BGMSHATGSA-N 1 0 322.409 0.307 10 0 DCAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000126663284 158268029 /nfs/dbraw/zinc/26/80/29/158268029.db2.gz IYBDYSVKIMOGBL-VXGBXAGGSA-N 1 0 320.459 0.050 10 0 DCAERO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000128243716 158280136 /nfs/dbraw/zinc/28/01/36/158280136.db2.gz NMIJVDWYZASVFT-ZBFHGGJFSA-N 1 0 313.442 0.807 10 0 DCAERO COCCCOC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000130871611 158297441 /nfs/dbraw/zinc/29/74/41/158297441.db2.gz RMHUAXFSUSJBFU-CQSZACIVSA-N 1 0 314.426 0.487 10 0 DCAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132724413 158312341 /nfs/dbraw/zinc/31/23/41/158312341.db2.gz HYGJQDMLPUIJPZ-WWGRRREGSA-N 1 0 320.389 0.360 10 0 DCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccnnc2)CC1 ZINC000151588403 158348864 /nfs/dbraw/zinc/34/88/64/158348864.db2.gz XVLMKANGRUOBKC-OAHLLOKOSA-N 1 0 303.410 0.719 10 0 DCAERO CCCNC(=O)CN1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165173229 158365115 /nfs/dbraw/zinc/36/51/15/158365115.db2.gz RPQHXWDJSGLFCW-KGLIPLIRSA-N 1 0 324.469 0.611 10 0 DCAERO Cc1noc([C@@H](C)N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)n1 ZINC000168123007 158370856 /nfs/dbraw/zinc/37/08/56/158370856.db2.gz ZXMBOLFNBQHOGV-YGRLFVJLSA-N 1 0 311.361 0.285 10 0 DCAERO NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170736657 158376056 /nfs/dbraw/zinc/37/60/56/158376056.db2.gz ASBBREIFUBOVHH-CYBMUJFWSA-N 1 0 323.418 0.644 10 0 DCAERO CN1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000170843508 158376867 /nfs/dbraw/zinc/37/68/67/158376867.db2.gz UMNLAFQQESANCF-OAHLLOKOSA-N 1 0 316.405 0.733 10 0 DCAERO CCc1nnc(CN2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n1C ZINC000171629406 158384773 /nfs/dbraw/zinc/38/47/73/158384773.db2.gz AYSRKMNRWAACHY-LBPRGKRZSA-N 1 0 309.414 0.447 10 0 DCAERO CC1(C)CN(CCNC(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000171675734 158385366 /nfs/dbraw/zinc/38/53/66/158385366.db2.gz NFCFZJYVGYNWFB-UHFFFAOYSA-N 1 0 310.442 0.587 10 0 DCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCC(=O)NC2CC2)CCO1 ZINC000172122808 158390937 /nfs/dbraw/zinc/39/09/37/158390937.db2.gz PKBCEJLIIFSNBY-ZDUSSCGKSA-N 1 0 312.414 0.017 10 0 DCAERO C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)CCO1 ZINC000172308122 158393473 /nfs/dbraw/zinc/39/34/73/158393473.db2.gz BQIKIZLAPGMCDU-CQSZACIVSA-N 1 0 311.426 0.568 10 0 DCAERO CN1CC(=O)N(CCCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1=O ZINC000186553665 158532202 /nfs/dbraw/zinc/53/22/02/158532202.db2.gz CEDGBLDBQJHFFE-GFCCVEGCSA-N 1 0 322.409 0.404 10 0 DCAERO CC(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188994985 158549026 /nfs/dbraw/zinc/54/90/26/158549026.db2.gz YEFYBUNDYITAET-RISCZKNCSA-N 1 0 311.332 0.663 10 0 DCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000191473189 158568510 /nfs/dbraw/zinc/56/85/10/158568510.db2.gz DEBUAFSBMIJBEY-KBPBESRZSA-N 1 0 310.442 0.884 10 0 DCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000261719643 158732169 /nfs/dbraw/zinc/73/21/69/158732169.db2.gz PYIFERDCCUKODW-JOYOIKCWSA-N 1 0 308.359 0.903 10 0 DCAERO CC1(C)CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000261723157 158732454 /nfs/dbraw/zinc/73/24/54/158732454.db2.gz QHBFVHLNVNCIOE-LBPRGKRZSA-N 1 0 311.407 0.533 10 0 DCAERO CN(C)C(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261818326 158741872 /nfs/dbraw/zinc/74/18/72/158741872.db2.gz PGHRBFJZTYYPTQ-KGLIPLIRSA-N 1 0 305.378 0.511 10 0 DCAERO CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]([NH3+])C1CCOCC1 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10 0 DCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cnc(-c2ccncc2)s1 ZINC000262407181 158810649 /nfs/dbraw/zinc/81/06/49/158810649.db2.gz YXUDADJPGYPQKX-QWRGUYRKSA-N 1 0 304.375 0.515 10 0 DCAERO O=C(NCc1ccc(Br)c(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262457015 158815530 /nfs/dbraw/zinc/81/55/30/158815530.db2.gz FHNPDYLIKKONFH-KCJUWKMLSA-N 1 0 317.158 0.927 10 0 DCAERO C[C@@H](C(=O)Nc1ccccc1C(=O)NCCC(N)=O)C1C[NH2+]C1 ZINC000262536329 158822749 /nfs/dbraw/zinc/82/27/49/158822749.db2.gz MPYQOXNUJKOSPY-SNVBAGLBSA-N 1 0 318.377 0.086 10 0 DCAERO CN1CC[NH2+]C[C@@H]1c1noc(C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000263316755 158870924 /nfs/dbraw/zinc/87/09/24/158870924.db2.gz ZOXSQDNFHWFNIB-LLVKDONJSA-N 1 0 318.381 0.828 10 0 DCAERO Cn1ncnc1[C@H]1COCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329105731 159061906 /nfs/dbraw/zinc/06/19/06/159061906.db2.gz HFCUKQHJPMPMCB-KGLIPLIRSA-N 1 0 319.409 0.589 10 0 DCAERO O=S1(=O)CC[C@H]2CN(C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC000329168741 159069823 /nfs/dbraw/zinc/06/98/23/159069823.db2.gz JCYHWGRQGUOWMG-GZBFAFLISA-N 1 0 311.403 0.545 10 0 DCAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cnn3ccncc23)[N@H+](C)C1 ZINC000329186715 159071900 /nfs/dbraw/zinc/07/19/00/159071900.db2.gz OYUMNRKRUNDSDM-RYUDHWBXSA-N 1 0 303.366 0.520 10 0 DCAERO O=C([C@@H]1CCCN(Cc2nnnn2C2CC2)C1)N1CCCC1 ZINC000329478052 159096288 /nfs/dbraw/zinc/09/62/88/159096288.db2.gz QBFSXYZIRHKHNC-GFCCVEGCSA-N 1 0 304.398 0.842 10 0 DCAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cnn(C)c3C)[C@H]2C1 ZINC000329522567 159099721 /nfs/dbraw/zinc/09/97/21/159099721.db2.gz GEFBCWYNEVJLIN-LSDHHAIUSA-N 1 0 306.410 0.593 10 0 DCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@H]2C1 ZINC000329596136 159105891 /nfs/dbraw/zinc/10/58/91/159105891.db2.gz CAPLNSQZFVSWOH-RYUDHWBXSA-N 1 0 307.398 0.578 10 0 DCAERO C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779795 159119442 /nfs/dbraw/zinc/11/94/42/159119442.db2.gz MDSKHXGLCILSPP-MBNYWOFBSA-N 1 0 306.414 0.864 10 0 DCAERO 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ZINC000408167395 160051909 /nfs/dbraw/zinc/05/19/09/160051909.db2.gz DQASPCFOTPLDIB-NEPJUHHUSA-N 1 0 315.439 0.465 10 0 DCAERO Cc1cc(N2CC[NH+](CC3(O)CCC3)CC2)n2ncnc2n1 ZINC000408253645 160069990 /nfs/dbraw/zinc/06/99/90/160069990.db2.gz ITZKYKKEMVLTTG-UHFFFAOYSA-N 1 0 302.382 0.470 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000408290440 160077716 /nfs/dbraw/zinc/07/77/16/160077716.db2.gz PGQGYDOTYVWMDG-JGGQBBKZSA-N 1 0 311.426 0.206 10 0 DCAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408336020 160087298 /nfs/dbraw/zinc/08/72/98/160087298.db2.gz LRAJDCFZTKKFBK-AVGNSLFASA-N 1 0 307.460 0.660 10 0 DCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000408374691 160094732 /nfs/dbraw/zinc/09/47/32/160094732.db2.gz PYVFDMISYNSEMT-KGLIPLIRSA-N 1 0 311.426 0.158 10 0 DCAERO Cc1nn(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000408422122 160105260 /nfs/dbraw/zinc/10/52/60/160105260.db2.gz DZEZTUBRWUIGEA-MFKMUULPSA-N 1 0 321.425 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416333661 /nfs/dbraw/zinc/33/36/61/416333661.db2.gz OSRGKPOKGSUKQP-GXTWGEPZSA-N 1 0 309.414 0.407 10 0 DCAERO Brc1cncnc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261588996 416335617 /nfs/dbraw/zinc/33/56/17/416335617.db2.gz WALYWZXUEZYAGF-SNVBAGLBSA-N 1 0 312.215 0.723 10 0 DCAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261978394 416335976 /nfs/dbraw/zinc/33/59/76/416335976.db2.gz RJKSVRRVFLJDFB-MGPQQGTHSA-N 1 0 316.467 0.558 10 0 DCAERO CC[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CCN1CCOC ZINC000261950618 416336042 /nfs/dbraw/zinc/33/60/42/416336042.db2.gz KBUGOLYUCPNZLZ-GJZGRUSLSA-N 1 0 313.442 0.310 10 0 DCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000194653183 416324405 /nfs/dbraw/zinc/32/44/05/416324405.db2.gz BLSOTWPAQSDHFK-RYUDHWBXSA-N 1 0 303.428 0.011 10 0 DCAERO O=C(NCCCN1CCOCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194649740 416324568 /nfs/dbraw/zinc/32/45/68/416324568.db2.gz PXHNDWBTPBOQKR-UHFFFAOYSA-N 1 0 310.442 0.588 10 0 DCAERO COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000194868105 416324981 /nfs/dbraw/zinc/32/49/81/416324981.db2.gz APWXXNDOOLNCIW-BXUZGUMPSA-N 1 0 307.394 0.913 10 0 DCAERO Cn1cc(N2CCC[C@@H](NC(=O)C[C@@H]3CSCC[NH2+]3)C2)cn1 ZINC000237689326 416328690 /nfs/dbraw/zinc/32/86/90/416328690.db2.gz KYAJKUATFWNLHV-CHWSQXEVSA-N 1 0 323.466 0.600 10 0 DCAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000246158642 416331685 /nfs/dbraw/zinc/33/16/85/416331685.db2.gz NOWSEMSCGLTXLY-RYUDHWBXSA-N 1 0 324.425 0.553 10 0 DCAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)N3CCOCC3)[C@H]2C1 ZINC000246224360 416331700 /nfs/dbraw/zinc/33/17/00/416331700.db2.gz FNXRAXDPTUXFKN-QLFBSQMISA-N 1 0 312.410 0.504 10 0 DCAERO CCOCCN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1CC ZINC000246299133 416331917 /nfs/dbraw/zinc/33/19/17/416331917.db2.gz NVWPSSUTTCXYMZ-DZGCQCFKSA-N 1 0 301.406 0.647 10 0 DCAERO CC[NH+]1CCN(CCCNC(=O)c2cccc3ncnn32)CC1 ZINC000359828981 416361668 /nfs/dbraw/zinc/36/16/68/416361668.db2.gz DLBKWKYQFIORAO-UHFFFAOYSA-N 1 0 316.409 0.487 10 0 DCAERO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)C(F)(F)F)CCSC1 ZINC000360747787 416407355 /nfs/dbraw/zinc/40/73/55/416407355.db2.gz UHOHIAISTDFOAF-WCBMZHEXSA-N 1 0 315.361 0.646 10 0 DCAERO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)[nH]n1 ZINC000458556223 416480934 /nfs/dbraw/zinc/48/09/34/416480934.db2.gz QDQOIPBJELTAEC-SWLSCSKDSA-N 1 0 323.441 0.795 10 0 DCAERO CN(CCC[NH+](C)C)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000537213783 416554089 /nfs/dbraw/zinc/55/40/89/416554089.db2.gz ROCNYHDTEAWPJY-ZIAGYGMSSA-N 1 0 323.437 0.962 10 0 DCAERO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000367846991 416653861 /nfs/dbraw/zinc/65/38/61/416653861.db2.gz OAERNPFDGQYRFR-YOEHRIQHSA-N 1 0 322.453 0.093 10 0 DCAERO C[N@H+](CCCO)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000440958798 416654817 /nfs/dbraw/zinc/65/48/17/416654817.db2.gz LAFAESMNXQRSAV-UHFFFAOYSA-N 1 0 316.405 0.862 10 0 DCAERO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN2CCOC[C@H]2C1 ZINC000544590110 416657266 /nfs/dbraw/zinc/65/72/66/416657266.db2.gz IYLUJUQBJSDBGW-CVEARBPZSA-N 1 0 307.438 0.936 10 0 DCAERO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2cccc(OC)n2)C1 ZINC000441470457 416672926 /nfs/dbraw/zinc/67/29/26/416672926.db2.gz YVIFPEBULMGOPU-AWEZNQCLSA-N 1 0 322.409 0.653 10 0 DCAERO CC[C@H](C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)N1CCCC1=O ZINC000548018865 416685340 /nfs/dbraw/zinc/68/53/40/416685340.db2.gz IZPXTCYYIICWFY-VXGBXAGGSA-N 1 0 305.382 0.757 10 0 DCAERO CC(C)[C@@H](CNC(=O)N(C)CCCO)[NH+]1CCN(C)CC1 ZINC000442376488 416693016 /nfs/dbraw/zinc/69/30/16/416693016.db2.gz YNPAERQBLLFTMF-CQSZACIVSA-N 1 0 300.447 0.282 10 0 DCAERO Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000442350712 416693255 /nfs/dbraw/zinc/69/32/55/416693255.db2.gz ZXDQWTBEESHDGK-JTQLQIEISA-N 1 0 319.409 0.742 10 0 DCAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CN2CCOCC2=O)C1 ZINC000369139818 416727431 /nfs/dbraw/zinc/72/74/31/416727431.db2.gz 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417227974 /nfs/dbraw/zinc/22/79/74/417227974.db2.gz ATHIZDHXVQSRCJ-OAHLLOKOSA-N 1 0 305.426 0.842 10 0 DCAERO CSCc1noc(CCC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000438071586 287366994 /nfs/dbraw/zinc/36/69/94/287366994.db2.gz ZRBLYVBLCFXJLP-UHFFFAOYSA-N 1 0 321.406 0.910 10 0 DCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000637929139 417241534 /nfs/dbraw/zinc/24/15/34/417241534.db2.gz UHZLKURFXZOLSA-OAGGEKHMSA-N 1 0 305.422 0.865 10 0 DCAERO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451132210 417303515 /nfs/dbraw/zinc/30/35/15/417303515.db2.gz IHEUJJCGVQTDFV-OLZOCXBDSA-N 1 0 312.410 0.803 10 0 DCAERO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528780823 417392256 /nfs/dbraw/zinc/39/22/56/417392256.db2.gz LKMQJXNPCYUUHT-MCIONIFRSA-N 1 0 304.456 0.339 10 0 DCAERO CC(C)(CN1CCCC1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000452100302 417447268 /nfs/dbraw/zinc/44/72/68/417447268.db2.gz YZXYWUUAEDTLTR-CYBMUJFWSA-N 1 0 303.472 0.732 10 0 DCAERO CC(=O)N1CCC[C@H]1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000572697077 417463806 /nfs/dbraw/zinc/46/38/06/417463806.db2.gz NCFNWALMKNPAMR-AWEZNQCLSA-N 1 0 319.409 1.099 10 0 DCAERO CO[C@@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000530460782 417575828 /nfs/dbraw/zinc/57/58/28/417575828.db2.gz UZJIEYBFISLEON-HUUCEWRRSA-N 1 0 312.458 0.881 10 0 DCAERO O[C@H](CN1CCC[C@@H]1C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000630035687 417805195 /nfs/dbraw/zinc/80/51/95/417805195.db2.gz FQBIZYZIIXFGLP-CVEARBPZSA-N 1 0 312.454 0.839 10 0 DCAERO CC(C)[C@H]1CN(C[C@H](O)CC2(O)CCOCC2)CC[N@@H+]1C ZINC000630045183 417812128 /nfs/dbraw/zinc/81/21/28/417812128.db2.gz ZDUNWPSAMWXJOH-HUUCEWRRSA-N 1 0 300.443 0.551 10 0 DCAERO CN1C[C@@H](C[NH2+]Cc2c(Br)cnn2C)CC1=O ZINC000657695469 417893221 /nfs/dbraw/zinc/89/32/21/417893221.db2.gz MMFQJTVTJBKQOV-MRVPVSSYSA-N 1 0 301.188 0.751 10 0 DCAERO NC(=O)c1ncn([C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000299739332 229372364 /nfs/dbraw/zinc/37/23/64/229372364.db2.gz 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/nfs/dbraw/zinc/12/60/50/261126050.db2.gz RXYZOMNNKPDNQL-ZIAGYGMSSA-N 1 0 322.471 0.425 10 0 DCAERO CN(C)C(=O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000194008230 261143662 /nfs/dbraw/zinc/14/36/62/261143662.db2.gz OLABIIDNEQNVBD-CQSZACIVSA-N 1 0 306.410 0.547 10 0 DCAERO COCCO[C@H]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000193892612 261144004 /nfs/dbraw/zinc/14/40/04/261144004.db2.gz AXBPIBOVKCAAEN-AWEZNQCLSA-N 1 0 320.455 0.539 10 0 DCAERO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)COc1ccccc1 ZINC000194718469 261147252 /nfs/dbraw/zinc/14/72/52/261147252.db2.gz GLKOELTXVDVEIG-ZDUSSCGKSA-N 1 0 305.378 0.392 10 0 DCAERO C[C@@H]1CCOCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000362241505 262014691 /nfs/dbraw/zinc/01/46/91/262014691.db2.gz XSGZLHVJBOAUKV-OAHLLOKOSA-N 1 0 318.421 0.841 10 0 DCAERO C[NH+]1CCC(CC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000362867405 262083190 /nfs/dbraw/zinc/08/31/90/262083190.db2.gz LTUFKKFZRRBKCL-UHFFFAOYSA-N 1 0 310.442 0.126 10 0 DCAERO COCC[C@]1(C(=O)NCc2ccc(CO)c(F)c2)CC[NH2+]C1 ZINC000370803119 262151878 /nfs/dbraw/zinc/15/18/78/262151878.db2.gz NLVZZBDBBIGOTP-MRXNPFEDSA-N 1 0 310.369 0.950 10 0 DCAERO CCn1cnc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397351079 262164646 /nfs/dbraw/zinc/16/46/46/262164646.db2.gz UKYQWLWREBVSRK-UTUOFQBUSA-N 1 0 300.428 0.897 10 0 DCAERO O=C(NCCCN1CCCCC1=O)NCCNc1cc[nH+]cc1 ZINC000358749640 271066347 /nfs/dbraw/zinc/06/63/47/271066347.db2.gz JMUUJXFORRPHKB-UHFFFAOYSA-N 1 0 319.409 0.617 10 0 DCAERO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](CO)C2CC2)CCCO1 ZINC000359038480 271093506 /nfs/dbraw/zinc/09/35/06/271093506.db2.gz FYXQWYKBBYFTDC-HIFRSBDPSA-N 1 0 313.442 0.805 10 0 DCAERO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000359155558 271099908 /nfs/dbraw/zinc/09/99/08/271099908.db2.gz QGJPLODMXXIIEF-TZMCWYRMSA-N 1 0 308.426 0.733 10 0 DCAERO COC(=O)c1cc(C(=O)Nc2ccnn2CC[NH+](C)C)c[nH]1 ZINC000359502402 271123891 /nfs/dbraw/zinc/12/38/91/271123891.db2.gz KWUORCKFSOUWCV-UHFFFAOYSA-N 1 0 305.338 0.812 10 0 DCAERO 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ZINC000262238917 545981843 /nfs/dbraw/zinc/98/18/43/545981843.db2.gz KUWLFWDHKZGGCH-OCCSQVGLSA-N 1 0 305.378 0.591 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2ccccc2)CCOCC1 ZINC000262264787 545982147 /nfs/dbraw/zinc/98/21/47/545982147.db2.gz MLYBCXJURIKMLN-HIFRSBDPSA-N 1 0 304.390 0.431 10 0 DCAERO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262292005 545982424 /nfs/dbraw/zinc/98/24/24/545982424.db2.gz OUALXXAAWSNYBE-ZBFHGGJFSA-N 1 0 314.389 0.501 10 0 DCAERO O=C(Cc1ccccc1OC(F)F)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262287715 545982764 /nfs/dbraw/zinc/98/27/64/545982764.db2.gz OKKLOHNJSFGGPW-QWRGUYRKSA-N 1 0 300.305 0.527 10 0 DCAERO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262311990 545982820 /nfs/dbraw/zinc/98/28/20/545982820.db2.gz QLPKGRYXXIJKNA-DOMZBBRYSA-N 1 0 300.362 0.491 10 0 DCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(N2CCCC2=O)c1 ZINC000262314946 545983475 /nfs/dbraw/zinc/98/34/75/545983475.db2.gz QUFFVWJAYHTYTN-OCCSQVGLSA-N 1 0 303.362 0.124 10 0 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/nfs/dbraw/zinc/09/34/04/546093404.db2.gz WKNHCJXACWIDGV-OLZOCXBDSA-N 1 0 308.426 0.544 10 0 DCAERO CCC[C@H](C)C(=O)NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073665 547659204 /nfs/dbraw/zinc/65/92/04/547659204.db2.gz SIVUESGIZXBXAQ-SCRDCRAPSA-N 1 0 302.440 0.706 10 0 DCAERO CN1C2(CCN(C(=O)OC(C)(C)C)CC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256323 548748829 /nfs/dbraw/zinc/74/88/29/548748829.db2.gz DWSRYTFWQRCYNP-SNVBAGLBSA-N 1 0 319.427 0.359 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000721887260 663478215 /nfs/dbraw/zinc/47/82/15/663478215.db2.gz HSTDHFDXUIUOSD-SECBINFHSA-N 1 0 318.420 0.811 10 0 DCAERO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723790036 657525804 /nfs/dbraw/zinc/52/58/04/657525804.db2.gz SOQRJLNPTVINKS-BDAKNGLRSA-N 1 0 318.420 0.669 10 0 DCAERO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)C[C@H]1CC[NH3+] ZINC000723923818 657743220 /nfs/dbraw/zinc/74/32/20/657743220.db2.gz ZYOIEQLTKJDTPP-RKDXNWHRSA-N 1 0 315.215 0.964 10 0 DCAERO CC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000723999535 657827262 /nfs/dbraw/zinc/82/72/62/657827262.db2.gz NMYSUFSDDIEEAV-UPJWGTAASA-N 1 0 306.428 0.099 10 0 DCAERO CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000254986038 658061904 /nfs/dbraw/zinc/06/19/04/658061904.db2.gz FRNNJWLQMGPMTF-LLPBQKLSSA-N 1 0 309.391 0.549 10 0 DCAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)C(=O)N1CCCC[C@H]1C ZINC000262043637 658208880 /nfs/dbraw/zinc/20/88/80/658208880.db2.gz YWSWXHRSRXJJPV-OLZOCXBDSA-N 1 0 311.426 0.648 10 0 DCAERO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000723379128 658658141 /nfs/dbraw/zinc/65/81/41/658658141.db2.gz PNADVCUEGODUBF-UPJWGTAASA-N 1 0 302.440 0.800 10 0 DCAERO CCCn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000177971887 658836470 /nfs/dbraw/zinc/83/64/70/658836470.db2.gz CFIAYUABZQNOKY-ZDUSSCGKSA-N 1 0 305.382 0.538 10 0 DCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1C ZINC000188437727 659336992 /nfs/dbraw/zinc/33/69/92/659336992.db2.gz YIUWCZIQJDDING-CHWSQXEVSA-N 1 0 320.437 0.745 10 0 DCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000237048678 661613646 /nfs/dbraw/zinc/61/36/46/661613646.db2.gz UEOALYJMXDVXPF-DZGCQCFKSA-N 1 0 310.442 0.126 10 0 DCAERO CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000726801389 661674302 /nfs/dbraw/zinc/67/43/02/661674302.db2.gz WRABARPASRWUBO-GFCCVEGCSA-N 1 0 311.411 0.305 10 0 DCAERO CS(=O)(=O)C1(C(=O)N[C@@H]2COc3ccccc32)CC[NH2+]CC1 ZINC000262581918 662492871 /nfs/dbraw/zinc/49/28/71/662492871.db2.gz URHYEETVCALIFS-GFCCVEGCSA-N 1 0 324.402 0.403 10 0 DCAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000089741940 662526077 /nfs/dbraw/zinc/52/60/77/662526077.db2.gz HLTKMPXCJVYMGB-GHMZBOCLSA-N 1 0 311.407 0.511 10 0 DCAERO [NH3+]C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000041162101 663069179 /nfs/dbraw/zinc/06/91/79/663069179.db2.gz SJMUJHZRYLRNLM-JTQLQIEISA-N 1 0 306.334 0.847 10 0 DCAERO 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/nfs/dbraw/zinc/80/58/32/664805832.db2.gz POSADNKOHKFDIX-CHWSQXEVSA-N 1 0 322.409 0.213 10 0 DCAERO CC[S@](=O)CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000741422205 664838626 /nfs/dbraw/zinc/83/86/26/664838626.db2.gz UGIDASCHDCYRAI-NRFANRHFSA-N 1 0 319.471 0.243 10 0 DCAERO [NH3+]C1CCC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000237797404 665403315 /nfs/dbraw/zinc/40/33/15/665403315.db2.gz KEIIFOAZYLXNLM-UHFFFAOYSA-N 1 0 316.361 0.076 10 0 DCAERO Cn1nnc(Br)c1C(=O)NC1CC([NH+](C)C)C1 ZINC000701470996 666844826 /nfs/dbraw/zinc/84/48/26/666844826.db2.gz YVHFIVLKVTUQEP-UHFFFAOYSA-N 1 0 302.176 0.400 10 0 DCAERO O=S(=O)(NCC(C1CCC1)C1CCC1)N1CC[NH2+]CC1 ZINC000704451016 667220932 /nfs/dbraw/zinc/22/09/32/667220932.db2.gz DCMHIGUDZGWZEI-UHFFFAOYSA-N 1 0 301.456 0.942 10 0 DCAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@H](C)C1 ZINC000120699804 667340608 /nfs/dbraw/zinc/34/06/08/667340608.db2.gz JOVFWFIXEKZLKB-CHWSQXEVSA-N 1 0 319.471 0.793 10 0 DCAERO COC[C@@H]([NH3+])C(=O)Nc1nc(CCCC(=O)OC)cs1 ZINC000707741854 667441709 /nfs/dbraw/zinc/44/17/09/667441709.db2.gz UNAONBLTSCNYFI-SECBINFHSA-N 1 0 301.368 0.551 10 0 DCAERO C[C@H](CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CS(C)(=O)=O ZINC000709871396 667445981 /nfs/dbraw/zinc/44/59/81/667445981.db2.gz LUDSGQOZPLDMDE-OPRDCNLKSA-N 1 0 302.362 0.736 10 0 DCAERO CC1(C)CC[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)OC1 ZINC000711352238 667459571 /nfs/dbraw/zinc/45/95/71/667459571.db2.gz LOEDIECOQBKGST-NEPJUHHUSA-N 1 0 306.428 0.099 10 0 DCAERO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711906083 667550819 /nfs/dbraw/zinc/55/08/19/667550819.db2.gz GGCNNXAUCRGHJM-RDBSUJKOSA-N 1 0 302.440 0.815 10 0 DCAERO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000717330646 667626340 /nfs/dbraw/zinc/62/63/40/667626340.db2.gz NMMLFIPXVMIICJ-SUHUHFCYSA-N 1 0 303.786 0.549 10 0 DCAERO COCC(=O)N(C)CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124333663 667961306 /nfs/dbraw/zinc/96/13/06/667961306.db2.gz GWYOAEVFVLKQST-OAHLLOKOSA-N 1 0 320.389 0.909 10 0 DCAERO CC(C)OCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717083197 668542645 /nfs/dbraw/zinc/54/26/45/668542645.db2.gz MVYDYHPFKRTFEE-UWVGGRQHSA-N 1 0 318.361 0.953 10 0 DCAERO CC(=O)N1CCC[C@H](C(=O)OCCN2CCSCC2)C1 ZINC000127279874 668754298 /nfs/dbraw/zinc/75/42/98/668754298.db2.gz FVCMHDDDONGCRI-ZDUSSCGKSA-N 1 0 300.424 0.837 10 0 DCAERO COCC(=O)N(C)CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000127751551 669035013 /nfs/dbraw/zinc/03/50/13/669035013.db2.gz GWYOAEVFVLKQST-HNNXBMFYSA-N 1 0 320.389 0.909 10 0 DCAERO COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000156103989 669837446 /nfs/dbraw/zinc/83/74/46/669837446.db2.gz NHTFVJDSQZZMJH-ZDUSSCGKSA-N 1 0 312.391 0.726 10 0 DCAERO Cn1cc(CN2CCC(O)(C[NH3+])CC2)c(Br)n1 ZINC000712432577 670149096 /nfs/dbraw/zinc/14/90/96/670149096.db2.gz AYCAEECATHTYLS-UHFFFAOYSA-N 1 0 303.204 0.468 10 0 DCAERO Cn1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(Br)n1 ZINC000712475306 670149734 /nfs/dbraw/zinc/14/97/34/670149734.db2.gz 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