smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)N(C)CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000159445404 291234757 /nfs/dbraw/zinc/23/47/57/291234757.db2.gz JMGBSFMPFQGTDZ-MGPQQGTHSA-N 1 0 313.442 0.574 20 70 DCIDRO COc1cccc([C@@H](CNC(=O)[C@H]2CCNC(=O)C2)[NH+](C)C)c1 ZINC000159650719 291235351 /nfs/dbraw/zinc/23/53/51/291235351.db2.gz GPTQTICAFSFWJB-DZGCQCFKSA-N 1 0 319.405 0.940 20 70 DCIDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160351156 296037831 /nfs/dbraw/zinc/03/78/31/296037831.db2.gz VOBCPVBJDHMEOX-CHWSQXEVSA-N 1 0 313.442 0.500 20 70 DCIDRO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000161086857 284120106 /nfs/dbraw/zinc/12/01/06/284120106.db2.gz RPAZCFHSQHLSNR-KGLIPLIRSA-N 1 0 318.425 0.863 20 70 DCIDRO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160271657 533541142 /nfs/dbraw/zinc/54/11/42/533541142.db2.gz PIFZMKNZMVEMKP-UKRRQHHQSA-N 1 0 305.378 0.302 20 70 DCIDRO Cn1cc(N2CCC[C@H](N3CC[NH+](CC4CC4)CC3)C2=O)cn1 ZINC000159407885 396067612 /nfs/dbraw/zinc/06/76/12/396067612.db2.gz HZFSTDWOUMMABV-INIZCTEOSA-N 1 0 317.437 0.943 20 70 DCIDRO O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000159502484 396068616 /nfs/dbraw/zinc/06/86/16/396068616.db2.gz USPHBHCRHPGKRN-KFWWJZLASA-N 1 0 305.422 0.988 20 70 DCIDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962764 158355257 /nfs/dbraw/zinc/35/52/57/158355257.db2.gz RWJHXDHSRDBEFT-AVGNSLFASA-N 1 0 302.440 0.943 20 70 DCIDRO COCC[NH2+]CC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160928935 158356018 /nfs/dbraw/zinc/35/60/18/158356018.db2.gz AKIAFSDDHWKKDS-AWEZNQCLSA-N 1 0 305.378 0.453 20 70 DCIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1nnnn1-c1ccccc1 ZINC000160996327 416010959 /nfs/dbraw/zinc/01/09/59/416010959.db2.gz YRAYUYAWVXTYFG-VXGBXAGGSA-N 1 0 300.366 0.839 20 70 DCIDRO O=C(NCCCOc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000217299703 261152373 /nfs/dbraw/zinc/15/23/73/261152373.db2.gz NHURXNFPNOUUGB-UHFFFAOYSA-N 1 0 306.410 0.660 20 70 DCIDRO Cc1cnccc1CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000160926141 279026729 /nfs/dbraw/zinc/02/67/29/279026729.db2.gz QQOIBLUYAUOUHI-OAHLLOKOSA-N 1 0 319.453 0.868 20 70 DCIDRO CCOC(=O)C1CCC(O)(C[NH2+]CC(=O)N(C)CC)CC1 ZINC000218317821 337326177 /nfs/dbraw/zinc/32/61/77/337326177.db2.gz YAIHSPDLEZAYEN-UHFFFAOYSA-N 1 0 300.399 0.539 20 70 DCIDRO C[C@@H]1Cc2cc(C(=O)NCCC[NH3+])ccc2N1S(C)(=O)=O ZINC000160122427 534058771 /nfs/dbraw/zinc/05/87/71/534058771.db2.gz QDGDEJKFNQUHGG-SNVBAGLBSA-N 1 0 311.407 0.476 20 70 DCIDRO CN(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000160353011 522148219 /nfs/dbraw/zinc/14/82/19/522148219.db2.gz BVNOQSLCRAKZKI-CQSZACIVSA-N 1 0 306.410 0.724 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000160629948 522500273 /nfs/dbraw/zinc/50/02/73/522500273.db2.gz JJXRUJXNJYJWOH-LSDHHAIUSA-N 1 0 317.389 0.234 20 70 DCIDRO Cc1ccc(F)c(OCC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000160389811 524829388 /nfs/dbraw/zinc/82/93/88/524829388.db2.gz VDKAWQJMXWBMIJ-UHFFFAOYSA-N 1 0 309.385 0.877 20 70 DCIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000161389750 534866532 /nfs/dbraw/zinc/86/65/32/534866532.db2.gz FMXICZOGZXTCPZ-UHFFFAOYSA-N 1 0 316.398 0.808 20 70 DCIDRO Cc1conc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160123990 526297142 /nfs/dbraw/zinc/29/71/42/526297142.db2.gz DWURFYHQYNTIJM-VXGBXAGGSA-N 1 0 324.381 0.537 20 70 DCIDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160396788 526924809 /nfs/dbraw/zinc/92/48/09/526924809.db2.gz RVMACTPNFPSLDB-YNEHKIRRSA-N 1 0 323.780 0.284 20 70 DCIDRO NC(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159978050 527040029 /nfs/dbraw/zinc/04/00/29/527040029.db2.gz SLRZMBKITYXDRD-CQSZACIVSA-N 1 0 305.378 0.362 20 70 DCIDRO CC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000161448730 527388700 /nfs/dbraw/zinc/38/87/00/527388700.db2.gz LOQBGIXCZUNNFK-AWEZNQCLSA-N 1 0 314.407 0.480 20 70 DCIDRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC([NH3+])(CC)CC ZINC000160499633 529258711 /nfs/dbraw/zinc/25/87/11/529258711.db2.gz UNYIOCRSXWZOJR-QWRGUYRKSA-N 1 0 307.460 0.584 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000160780403 545864855 /nfs/dbraw/zinc/86/48/55/545864855.db2.gz KJUVUOVYPFHOQQ-OLZOCXBDSA-N 1 0 304.394 0.918 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000160853979 545864876 /nfs/dbraw/zinc/86/48/76/545864876.db2.gz CANOKQYUASNXTH-CHWSQXEVSA-N 1 0 317.455 0.578 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000160853680 545865048 /nfs/dbraw/zinc/86/50/48/545865048.db2.gz CANOKQYUASNXTH-QWHCGFSZSA-N 1 0 317.455 0.578 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000161305613 545866374 /nfs/dbraw/zinc/86/63/74/545866374.db2.gz CPMWKQKVNBDAQK-CHWSQXEVSA-N 1 0 300.366 0.591 20 70 DCIDRO C[N@H+](CC(=O)NCCNC(=O)c1ccco1)[C@H]1CCSC1 ZINC000159715479 291236159 /nfs/dbraw/zinc/23/61/59/291236159.db2.gz MDRQKUORARXFGX-NSHDSACASA-N 1 0 311.407 0.563 20 70 DCIDRO CN(CCN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673094 396075152 /nfs/dbraw/zinc/07/51/52/396075152.db2.gz FJQJVWJOVPSHKI-OAHLLOKOSA-N 1 0 310.442 0.444 20 70 DCIDRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000161185301 396076660 /nfs/dbraw/zinc/07/66/60/396076660.db2.gz WGWBVRRFSFQPGR-RISCZKNCSA-N 1 0 308.426 0.853 20 70 DCIDRO CC(C)[NH2+]CCC(=O)N1CCc2ccc(S(N)(=O)=O)cc21 ZINC000160028152 545860535 /nfs/dbraw/zinc/86/05/35/545860535.db2.gz AYZZIKOZZDZDJV-UHFFFAOYSA-N 1 0 311.407 0.611 20 70 DCIDRO CCS(=O)(=O)N(C)CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161416843 286657909 /nfs/dbraw/zinc/65/79/09/286657909.db2.gz OEZLUSWICJLYJU-CYBMUJFWSA-N 1 0 305.444 0.164 20 70 DCIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000160463639 158354309 /nfs/dbraw/zinc/35/43/09/158354309.db2.gz PYULJSMPPCXRNB-OCCSQVGLSA-N 1 0 315.373 0.972 20 70 DCIDRO Cc1nn(C)c(C)c1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160688513 158356242 /nfs/dbraw/zinc/35/62/42/158356242.db2.gz BLHDFAZIOVRJIN-UHFFFAOYSA-N 1 0 308.426 0.400 20 70 DCIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000160927399 158356352 /nfs/dbraw/zinc/35/63/52/158356352.db2.gz ZXDYKDQVYVJYDT-KFWWJZLASA-N 1 0 312.458 0.425 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000161266667 158357243 /nfs/dbraw/zinc/35/72/43/158357243.db2.gz FARFZOFTIABFSH-UHFFFAOYSA-N 1 0 309.414 0.787 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000161345071 158357407 /nfs/dbraw/zinc/35/74/07/158357407.db2.gz JLRKKVNDYXMTOW-CHWSQXEVSA-N 1 0 307.398 0.113 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160994128 416010298 /nfs/dbraw/zinc/01/02/98/416010298.db2.gz OTYHPZGIGHWTSX-JQWIXIFHSA-N 1 0 320.422 0.920 20 70 DCIDRO [NH3+]C1(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCCCC1 ZINC000159555703 295206042 /nfs/dbraw/zinc/20/60/42/295206042.db2.gz QDTRFALUCSMEKF-UHFFFAOYSA-N 1 0 322.409 0.629 20 70 DCIDRO Cc1cc(F)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1F ZINC000161446140 301297045 /nfs/dbraw/zinc/29/70/45/301297045.db2.gz WVZPKJSAYZGFPP-ZDUSSCGKSA-N 1 0 322.377 0.864 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000161180985 522087351 /nfs/dbraw/zinc/08/73/51/522087351.db2.gz IWRFRNUDHREOQB-SECBINFHSA-N 1 0 303.409 0.220 20 70 DCIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160996704 522296187 /nfs/dbraw/zinc/29/61/87/522296187.db2.gz KALYBXGUABVFHZ-NSHDSACASA-N 1 0 313.423 0.770 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000160629814 522392846 /nfs/dbraw/zinc/39/28/46/522392846.db2.gz JJXRUJXNJYJWOH-HUUCEWRRSA-N 1 0 317.389 0.234 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000160599512 522393467 /nfs/dbraw/zinc/39/34/67/522393467.db2.gz LFITXNXGWCGFRT-HUUCEWRRSA-N 1 0 301.390 0.855 20 70 DCIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159530604 524008990 /nfs/dbraw/zinc/00/89/90/524008990.db2.gz PCRXUUSFZHMWGF-LSDHHAIUSA-N 1 0 303.406 0.802 20 70 DCIDRO Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2=O)cc1 ZINC000160927954 524975109 /nfs/dbraw/zinc/97/51/09/524975109.db2.gz LQBWLYYPTPWZCR-KBPBESRZSA-N 1 0 303.362 0.205 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000160262582 527234390 /nfs/dbraw/zinc/23/43/90/527234390.db2.gz IVACVPXUZPDENM-UONOGXRCSA-N 1 0 315.373 0.455 20 70 DCIDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160569253 528806415 /nfs/dbraw/zinc/80/64/15/528806415.db2.gz HQASORXIQRIZAX-NWDGAFQWSA-N 1 0 303.428 0.011 20 70 DCIDRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160754298 545864923 /nfs/dbraw/zinc/86/49/23/545864923.db2.gz CAVRFAUKZXIMSY-YGRLFVJLSA-N 1 0 305.378 0.815 20 70 DCIDRO COC(=O)CCc1nnc(NC(=O)[C@@H]([NH3+])CC(C)C)s1 ZINC000159458944 291052981 /nfs/dbraw/zinc/05/29/81/291052981.db2.gz PSZPANCJKGDQHA-QMMMGPOBSA-N 1 0 300.384 0.956 20 70 DCIDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccccc1 ZINC000161301117 237094675 /nfs/dbraw/zinc/09/46/75/237094675.db2.gz NJWCKPDODHNPCY-UHFFFAOYSA-N 1 0 316.423 0.248 20 70 DCIDRO Cc1noc(C)c1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161394157 237095204 /nfs/dbraw/zinc/09/52/04/237095204.db2.gz NEVPZWRKMVDRTA-UHFFFAOYSA-N 1 0 317.411 0.274 20 70 DCIDRO CCOC(=O)CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159724051 291236006 /nfs/dbraw/zinc/23/60/06/291236006.db2.gz JXWDQJMSZOXMRK-STQMWFEESA-N 1 0 300.399 0.539 20 70 DCIDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000159739161 291236051 /nfs/dbraw/zinc/23/60/51/291236051.db2.gz SLGKYJQYLIBFGA-ZDUSSCGKSA-N 1 0 312.435 0.900 20 70 DCIDRO CCOC(=O)CCCNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159724188 291236062 /nfs/dbraw/zinc/23/60/62/291236062.db2.gz JXWDQJMSZOXMRK-OLZOCXBDSA-N 1 0 300.399 0.539 20 70 DCIDRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160242122 533610374 /nfs/dbraw/zinc/61/03/74/533610374.db2.gz HGXRKTXVKPPPGR-GHMZBOCLSA-N 1 0 311.407 0.691 20 70 DCIDRO CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660843 395837502 /nfs/dbraw/zinc/83/75/02/395837502.db2.gz ADYJHQPMVQPEAX-STQMWFEESA-N 1 0 302.440 0.896 20 70 DCIDRO CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161390335 396076594 /nfs/dbraw/zinc/07/65/94/396076594.db2.gz CPUYJSFGQKDVCR-ZDUSSCGKSA-N 1 0 319.409 0.826 20 70 DCIDRO CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160228027 158353230 /nfs/dbraw/zinc/35/32/30/158353230.db2.gz QLYHCQAEKHHOLP-BWBHSNQOSA-N 1 0 322.409 0.437 20 70 DCIDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161430949 158357071 /nfs/dbraw/zinc/35/70/71/158357071.db2.gz ZXSKXWDJXWOYFS-CQSZACIVSA-N 1 0 300.424 0.894 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000161292673 158357716 /nfs/dbraw/zinc/35/77/16/158357716.db2.gz CINKVJFXSZNANP-UHFFFAOYSA-N 1 0 312.458 0.420 20 70 DCIDRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCn3ccnc3C2)n1 ZINC000161044886 416011407 /nfs/dbraw/zinc/01/14/07/416011407.db2.gz YMMLUEKLLCVNBQ-LBPRGKRZSA-N 1 0 302.382 0.842 20 70 DCIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000161302084 416011459 /nfs/dbraw/zinc/01/14/59/416011459.db2.gz GNEOSLVAPHGMRQ-HNNXBMFYSA-N 1 0 318.421 0.768 20 70 DCIDRO CC(C)CCC(=O)NCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160566835 519634511 /nfs/dbraw/zinc/63/45/11/519634511.db2.gz FPDJLZKLZLEREA-UHFFFAOYSA-N 1 0 313.442 0.359 20 70 DCIDRO CCOc1ccccc1N1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000160094845 521518909 /nfs/dbraw/zinc/51/89/09/521518909.db2.gz XIGQYFHVNPDCJA-LBPRGKRZSA-N 1 0 305.378 0.903 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)C1 ZINC000160660892 522390324 /nfs/dbraw/zinc/39/03/24/522390324.db2.gz LOHRTBFCUNWXNM-NWDGAFQWSA-N 1 0 303.362 0.621 20 70 DCIDRO COCCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000160713629 523900824 /nfs/dbraw/zinc/90/08/24/523900824.db2.gz XXSXIGVRUVJQSA-RYUDHWBXSA-N 1 0 323.397 0.102 20 70 DCIDRO C[NH+]1CCN(CCNC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000161143898 523903028 /nfs/dbraw/zinc/90/30/28/523903028.db2.gz BGXDARMHSQQBLB-CYBMUJFWSA-N 1 0 324.450 0.972 20 70 DCIDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161308472 524770272 /nfs/dbraw/zinc/77/02/72/524770272.db2.gz MYFYYYOCJLDRKS-SCZZXKLOSA-N 1 0 322.228 0.811 20 70 DCIDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)c1 ZINC000161422694 525061955 /nfs/dbraw/zinc/06/19/55/525061955.db2.gz RAJPQLYJYSWBIX-CQSZACIVSA-N 1 0 316.423 0.595 20 70 DCIDRO Cc1cc(N2CC[C@H]([N@H+](C)C[C@@H]3CCC[C@@H]3O)C2=O)n(C)n1 ZINC000159502145 525091295 /nfs/dbraw/zinc/09/12/95/525091295.db2.gz YTLJASBYQHZGRE-IHRRRGAJSA-N 1 0 306.410 0.927 20 70 DCIDRO C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160008179 525963957 /nfs/dbraw/zinc/96/39/57/525963957.db2.gz UUTPCFDERRWORX-ZIAGYGMSSA-N 1 0 307.394 0.812 20 70 DCIDRO C[C@H](C(=O)NCCC[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000160127559 526043985 /nfs/dbraw/zinc/04/39/85/526043985.db2.gz VVMBWTAKAUQSPU-CYBMUJFWSA-N 1 0 308.401 0.801 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000160278739 527233982 /nfs/dbraw/zinc/23/39/82/527233982.db2.gz KYDRDNJRTHNZOB-CYBMUJFWSA-N 1 0 323.418 0.691 20 70 DCIDRO O=C(Cc1ccc2c(c1)OCO2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160391128 527251895 /nfs/dbraw/zinc/25/18/95/527251895.db2.gz YCFQTQWSOUGLBE-CQSZACIVSA-N 1 0 320.389 0.921 20 70 DCIDRO Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160282312 527652982 /nfs/dbraw/zinc/65/29/82/527652982.db2.gz WHULNKRBIABGCI-CQSZACIVSA-N 1 0 324.425 0.379 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000160953251 545865102 /nfs/dbraw/zinc/86/51/02/545865102.db2.gz BODAHMORAGRDDH-QWHCGFSZSA-N 1 0 300.366 0.726 20 70 DCIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCO1 ZINC000161401353 545865671 /nfs/dbraw/zinc/86/56/71/545865671.db2.gz ROZLTDDNVLWPTO-OAHLLOKOSA-N 1 0 304.394 0.499 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000161309249 545865883 /nfs/dbraw/zinc/86/58/83/545865883.db2.gz QDOJLNHZPLZYGY-RKDXNWHRSA-N 1 0 301.368 0.187 20 70 DCIDRO Cn1c2cc(C(=O)NC[C@H](C3CC3)[NH+](C)C)ccc2[nH]c1=O ZINC000159583531 291235346 /nfs/dbraw/zinc/23/53/46/291235346.db2.gz DVLBKWGBEVGWDW-CQSZACIVSA-N 1 0 302.378 0.937 20 70 DCIDRO C[C@H]1OCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000160069137 291237702 /nfs/dbraw/zinc/23/77/02/291237702.db2.gz FMYJXJWJSKTHTO-HUUCEWRRSA-N 1 0 312.458 0.833 20 70 DCIDRO C[C@@H]1OCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000160069013 291237714 /nfs/dbraw/zinc/23/77/14/291237714.db2.gz FMYJXJWJSKTHTO-GJZGRUSLSA-N 1 0 312.458 0.833 20 70 DCIDRO C[NH+](C)C1(CNCc2ccc(S(N)(=O)=O)o2)CCCC1 ZINC000160726711 396075461 /nfs/dbraw/zinc/07/54/61/396075461.db2.gz YCOJDRYQTZDELL-UHFFFAOYSA-N 1 0 301.412 0.891 20 70 DCIDRO O=S(=O)(N1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160147457 158353082 /nfs/dbraw/zinc/35/30/82/158353082.db2.gz OOPNLJUDABTHKN-CQSZACIVSA-N 1 0 317.455 0.514 20 70 DCIDRO O=C(NCCNC(=O)C1CC[NH2+]CC1)c1c(F)cccc1F ZINC000160018889 158353110 /nfs/dbraw/zinc/35/31/10/158353110.db2.gz CMBHXQGSJOHZNC-UHFFFAOYSA-N 1 0 311.332 0.810 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000160410015 158354330 /nfs/dbraw/zinc/35/43/30/158354330.db2.gz PAVGDSYJVDPBQR-UHFFFAOYSA-N 1 0 319.471 0.826 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000161345326 158357411 /nfs/dbraw/zinc/35/74/11/158357411.db2.gz JLRKKVNDYXMTOW-OLZOCXBDSA-N 1 0 307.398 0.113 20 70 DCIDRO O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160670958 416009692 /nfs/dbraw/zinc/00/96/92/416009692.db2.gz XSBFNYLHZYFFOU-MXWKQRLJSA-N 1 0 319.327 0.750 20 70 DCIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160997026 416011364 /nfs/dbraw/zinc/01/13/64/416011364.db2.gz OTYHPZGIGHWTSX-ZYHUDNBSSA-N 1 0 320.422 0.920 20 70 DCIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000161302207 416011414 /nfs/dbraw/zinc/01/14/14/416011414.db2.gz GNEOSLVAPHGMRQ-OAHLLOKOSA-N 1 0 318.421 0.768 20 70 DCIDRO CC[C@H](O)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160942824 416011654 /nfs/dbraw/zinc/01/16/54/416011654.db2.gz HPIZRUYSWVLIKP-AWEZNQCLSA-N 1 0 300.447 0.473 20 70 DCIDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCS1(=O)=O ZINC000161218620 278090765 /nfs/dbraw/zinc/09/07/65/278090765.db2.gz FJWAPBJWCPJMGT-SCRDCRAPSA-N 1 0 310.419 0.590 20 70 DCIDRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160166895 519631478 /nfs/dbraw/zinc/63/14/78/519631478.db2.gz IXEDHWKBEJZOEA-UHFFFAOYSA-N 1 0 313.423 0.794 20 70 DCIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160979467 522027208 /nfs/dbraw/zinc/02/72/08/522027208.db2.gz CZJLBORJXZPBCS-KGLIPLIRSA-N 1 0 319.405 0.638 20 70 DCIDRO COC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159961926 522248088 /nfs/dbraw/zinc/24/80/88/522248088.db2.gz SPTBNPVMKLTHHF-CYBMUJFWSA-N 1 0 312.391 0.831 20 70 DCIDRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCC[NH3+])cc1 ZINC000160039901 524999209 /nfs/dbraw/zinc/99/92/09/524999209.db2.gz XFAFJSMUECOFMQ-NSHDSACASA-N 1 0 314.407 0.570 20 70 DCIDRO COc1cccc(O[C@@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000161130776 526237762 /nfs/dbraw/zinc/23/77/62/526237762.db2.gz WPJUHLJNQMQCHE-SWLSCSKDSA-N 1 0 308.378 0.957 20 70 DCIDRO NC(=O)COc1ccc(/C=C/C(=O)N2CCC[NH2+]CC2)cc1 ZINC000160815766 526890375 /nfs/dbraw/zinc/89/03/75/526890375.db2.gz FDTPTHKPOHTOTK-QPJJXVBHSA-N 1 0 303.362 0.386 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000161354899 545866666 /nfs/dbraw/zinc/86/66/66/545866666.db2.gz PJNXVUSYTOLWCM-MNOVXSKESA-N 1 0 301.350 0.178 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000161344306 530002208 /nfs/dbraw/zinc/00/22/08/530002208.db2.gz MRBPUTKFWMHLHN-GFCCVEGCSA-N 1 0 302.382 0.494 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)/C=C/c1cccnc1 ZINC000161317087 291241766 /nfs/dbraw/zinc/24/17/66/291241766.db2.gz WPDPJJUYFPEMRZ-UZYOAWRESA-N 1 0 302.378 0.421 20 70 DCIDRO COC(=O)[C@H](c1cccnc1)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000159908734 284308078 /nfs/dbraw/zinc/30/80/78/284308078.db2.gz JTTJWVIOQAIUDB-GUTXKFCHSA-N 1 0 307.394 0.683 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC000160801723 532968824 /nfs/dbraw/zinc/96/88/24/532968824.db2.gz ZLMKLEOIRAQOCY-WDEREUQCSA-N 1 0 315.377 0.502 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000159826248 285214409 /nfs/dbraw/zinc/21/44/09/285214409.db2.gz LHLKURPFWTYRKL-HUUCEWRRSA-N 1 0 312.458 0.833 20 70 DCIDRO COCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000160322552 533274971 /nfs/dbraw/zinc/27/49/71/533274971.db2.gz LFSDNHJAFBAPBS-LLVKDONJSA-N 1 0 313.423 0.866 20 70 DCIDRO CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159992178 396072303 /nfs/dbraw/zinc/07/23/03/396072303.db2.gz QSZDNITXBMYULU-CYBMUJFWSA-N 1 0 311.430 0.527 20 70 DCIDRO O=C(CCCN1C(=O)CNC1=O)NCC[NH2+]C1CCCCCC1 ZINC000159617064 396069479 /nfs/dbraw/zinc/06/94/79/396069479.db2.gz IXCXHJCUEMQMSI-UHFFFAOYSA-N 1 0 324.425 0.747 20 70 DCIDRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161012734 158355642 /nfs/dbraw/zinc/35/56/42/158355642.db2.gz HZKRCNDLYYRUAA-CYBMUJFWSA-N 1 0 306.414 0.576 20 70 DCIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000161251839 158357667 /nfs/dbraw/zinc/35/76/67/158357667.db2.gz FGULJEHVTUISKE-KGLIPLIRSA-N 1 0 319.405 0.780 20 70 DCIDRO Cc1ccccc1OCCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000217300354 261151988 /nfs/dbraw/zinc/15/19/88/261151988.db2.gz GWIMPQZTVYSTFH-UHFFFAOYSA-N 1 0 320.437 0.968 20 70 DCIDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[NH2+]CCOC)CC2 ZINC000160751001 276475612 /nfs/dbraw/zinc/47/56/12/276475612.db2.gz XXMOXQCNDCVOJJ-CHWSQXEVSA-N 1 0 300.399 0.001 20 70 DCIDRO Cc1conc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000161129025 279036998 /nfs/dbraw/zinc/03/69/98/279036998.db2.gz POPISRHTQMLENT-LBPRGKRZSA-N 1 0 324.381 0.131 20 70 DCIDRO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C(C)(C)[NH3+])CC2 ZINC000160029013 521991155 /nfs/dbraw/zinc/99/11/55/521991155.db2.gz PSVSZJNBKAFUOQ-UHFFFAOYSA-N 1 0 311.407 0.563 20 70 DCIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000160462657 522068186 /nfs/dbraw/zinc/06/81/86/522068186.db2.gz PQDOOYNFSZOJMG-CMPLNLGQSA-N 1 0 303.362 0.686 20 70 DCIDRO C[NH+](C)[C@H](CNC(=O)C1(NC(N)=O)CC1)c1ccc(F)cc1 ZINC000161290953 522068623 /nfs/dbraw/zinc/06/86/23/522068623.db2.gz MFVMNGKTJLPENK-GFCCVEGCSA-N 1 0 308.357 0.746 20 70 DCIDRO CC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161489691 522327145 /nfs/dbraw/zinc/32/71/45/522327145.db2.gz XIACCPTZCPXZIW-QWRGUYRKSA-N 1 0 314.769 0.998 20 70 DCIDRO C[C@H](C(=O)N1CCC[NH2+]CC1)n1nnc(-c2ccccc2)n1 ZINC000160882289 525967908 /nfs/dbraw/zinc/96/79/08/525967908.db2.gz GJVIQQLLBXRNAY-GFCCVEGCSA-N 1 0 300.366 0.723 20 70 DCIDRO C[C@@H](NC(=O)Nc1ccc(C(N)=O)cc1F)[C@H]1CN(C)CCO1 ZINC000160212960 545861198 /nfs/dbraw/zinc/86/11/98/545861198.db2.gz IOPQBTXISDGMEF-NOZJJQNGSA-N 1 0 324.356 0.765 20 70 DCIDRO C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)[C@H]1CN(C)CCO1 ZINC000160001184 545861400 /nfs/dbraw/zinc/86/14/00/545861400.db2.gz YZEGQFBHRHEHRJ-GXSJLCMTSA-N 1 0 317.340 0.989 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000160792745 545864996 /nfs/dbraw/zinc/86/49/96/545864996.db2.gz XLRVTMXXHQRETH-ZJUUUORDSA-N 1 0 315.395 0.496 20 70 DCIDRO CCSCC[NH+]1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000160588403 291239402 /nfs/dbraw/zinc/23/94/02/291239402.db2.gz XGPSXBPLOIWZEE-CQSZACIVSA-N 1 0 317.499 0.898 20 70 DCIDRO COCCCNC(=O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161318915 291241812 /nfs/dbraw/zinc/24/18/12/291241812.db2.gz GPIMEZQZJSDKAK-UHFFFAOYSA-N 1 0 321.421 0.973 20 70 DCIDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161009872 158355485 /nfs/dbraw/zinc/35/54/85/158355485.db2.gz UWKQKVUBRPBOCU-GFCCVEGCSA-N 1 0 307.369 0.852 20 70 DCIDRO CCCS(=O)(=O)NC1CC[NH+](CCn2ccnc2)CC1 ZINC000161397198 158357489 /nfs/dbraw/zinc/35/74/89/158357489.db2.gz JVQYSNHONIFTOJ-UHFFFAOYSA-N 1 0 300.428 0.677 20 70 DCIDRO CCOc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000217300834 261151825 /nfs/dbraw/zinc/15/18/25/261151825.db2.gz OSVVBHGUHUOYHT-UHFFFAOYSA-N 1 0 306.410 0.790 20 70 DCIDRO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C[NH2+]CCOC)CC2 ZINC000160751104 279922041 /nfs/dbraw/zinc/92/20/41/279922041.db2.gz XXMOXQCNDCVOJJ-OLZOCXBDSA-N 1 0 300.399 0.001 20 70 DCIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000160492177 520718089 /nfs/dbraw/zinc/71/80/89/520718089.db2.gz WRKJWDGDCMZSNA-UONOGXRCSA-N 1 0 306.362 0.844 20 70 DCIDRO C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795257 524819926 /nfs/dbraw/zinc/81/99/26/524819926.db2.gz ALVOJMIHJABUAV-ZFWWWQNUSA-N 1 0 316.405 0.283 20 70 DCIDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nnnn1-c1ccccc1 ZINC000160996468 525175575 /nfs/dbraw/zinc/17/55/75/525175575.db2.gz YRAYUYAWVXTYFG-RYUDHWBXSA-N 1 0 300.366 0.839 20 70 DCIDRO Cc1c(/C=C/C(=O)NCCCC[NH+]2CCOCC2)cnn1C ZINC000159497270 525518049 /nfs/dbraw/zinc/51/80/49/525518049.db2.gz OOCWRSJFYCWZIH-AATRIKPKSA-N 1 0 306.410 0.970 20 70 DCIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC1CC1 ZINC000161496148 525639818 /nfs/dbraw/zinc/63/98/18/525639818.db2.gz GQEMYCOWTWVFJG-UHFFFAOYSA-N 1 0 311.407 0.923 20 70 DCIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000159498678 525785161 /nfs/dbraw/zinc/78/51/61/525785161.db2.gz PWEGULOKROSCAE-OLZOCXBDSA-N 1 0 323.393 0.265 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000160780279 545864964 /nfs/dbraw/zinc/86/49/64/545864964.db2.gz KJUVUOVYPFHOQQ-CHWSQXEVSA-N 1 0 304.394 0.918 20 70 DCIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000159455221 237075630 /nfs/dbraw/zinc/07/56/30/237075630.db2.gz USYJIDWONMBQDC-ZIAGYGMSSA-N 1 0 313.442 0.948 20 70 DCIDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCCOC[C@H]1CCOC1 ZINC000160585246 237083749 /nfs/dbraw/zinc/08/37/49/237083749.db2.gz URQSRUDPPOHZQP-ZIAGYGMSSA-N 1 0 300.399 0.314 20 70 DCIDRO Cc1ccccc1CS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161440924 237093642 /nfs/dbraw/zinc/09/36/42/237093642.db2.gz YHNUUEFVLZUNEK-AWEZNQCLSA-N 1 0 300.424 0.727 20 70 DCIDRO CS[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000159674444 291236029 /nfs/dbraw/zinc/23/60/29/291236029.db2.gz NGEQWFVDDAJMSJ-CHWSQXEVSA-N 1 0 302.488 0.921 20 70 DCIDRO C[C@@H](C(=O)NCC(F)(F)F)N1CCC(OCCC[NH3+])CC1 ZINC000159883500 291236985 /nfs/dbraw/zinc/23/69/85/291236985.db2.gz QBLKJKPSKQZPOT-JTQLQIEISA-N 1 0 311.348 0.883 20 70 DCIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000160068891 291237570 /nfs/dbraw/zinc/23/75/70/291237570.db2.gz FMYJXJWJSKTHTO-CABCVRRESA-N 1 0 312.458 0.833 20 70 DCIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159864894 396071450 /nfs/dbraw/zinc/07/14/50/396071450.db2.gz VKLJUNJTVLGUEJ-XQQFMLRXSA-N 1 0 317.455 0.736 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C1 ZINC000160542946 396074565 /nfs/dbraw/zinc/07/45/65/396074565.db2.gz SYJMXYHSNRXMQG-SNVBAGLBSA-N 1 0 317.389 0.964 20 70 DCIDRO COCCC1(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000161400992 292284991 /nfs/dbraw/zinc/28/49/91/292284991.db2.gz BCTVVFNYPNSZPV-CQSZACIVSA-N 1 0 323.437 0.744 20 70 DCIDRO CNC(=O)c1cccc(CCNC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000161417419 158357453 /nfs/dbraw/zinc/35/74/53/158357453.db2.gz IGGRUOMIBIFXGR-ZDUSSCGKSA-N 1 0 309.435 0.785 20 70 DCIDRO C[NH+](C)C[C@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CCO1 ZINC000160014710 416006321 /nfs/dbraw/zinc/00/63/21/416006321.db2.gz SZMBHJXVGUWPSX-NWDGAFQWSA-N 1 0 323.359 0.802 20 70 DCIDRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161325365 416013544 /nfs/dbraw/zinc/01/35/44/416013544.db2.gz IPYIGVIVOYHCOS-PMPSAXMXSA-N 1 0 304.390 0.775 20 70 DCIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000161250322 287684649 /nfs/dbraw/zinc/68/46/49/287684649.db2.gz XPFTYDDQLVYYSD-ZIAGYGMSSA-N 1 0 318.487 0.283 20 70 DCIDRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000161185676 302743547 /nfs/dbraw/zinc/74/35/47/302743547.db2.gz WGWBVRRFSFQPGR-SMDDNHRTSA-N 1 0 308.426 0.853 20 70 DCIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000160462770 522026523 /nfs/dbraw/zinc/02/65/23/522026523.db2.gz PQDOOYNFSZOJMG-ZYHUDNBSSA-N 1 0 303.362 0.686 20 70 DCIDRO COC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000161013863 522361666 /nfs/dbraw/zinc/36/16/66/522361666.db2.gz UYLNOTYAOYAOOZ-CQSZACIVSA-N 1 0 307.394 0.662 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)C1 ZINC000160660745 522389991 /nfs/dbraw/zinc/38/99/91/522389991.db2.gz LOHRTBFCUNWXNM-VXGBXAGGSA-N 1 0 303.362 0.621 20 70 DCIDRO C[C@H](CNC(=O)C1(NC(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000159774297 524372998 /nfs/dbraw/zinc/37/29/98/524372998.db2.gz JFQKJUNKXJKMCW-GFCCVEGCSA-N 1 0 316.405 0.750 20 70 DCIDRO CC(C)c1nc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c[nH]1 ZINC000161427946 545866556 /nfs/dbraw/zinc/86/65/56/545866556.db2.gz QUDRBRQNHNAHJC-LBPRGKRZSA-N 1 0 304.416 0.124 20 70 DCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2c1OCO2 ZINC000160470709 237083328 /nfs/dbraw/zinc/08/33/28/237083328.db2.gz SVIFDMSHMRLJOS-GFCCVEGCSA-N 1 0 306.362 0.992 20 70 DCIDRO CCC[C@@H]1CN(C(=O)NCCNC(C)=O)CC[N@@H+]1CCOC ZINC000159794007 291236558 /nfs/dbraw/zinc/23/65/58/291236558.db2.gz HLBCQWGZMQGYHV-CQSZACIVSA-N 1 0 314.430 0.265 20 70 DCIDRO O=C1CNC(=O)N1CCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161336063 291241798 /nfs/dbraw/zinc/24/17/98/291241798.db2.gz CFQOJKVQHYSERK-LLVKDONJSA-N 1 0 323.315 0.564 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000159889815 285210091 /nfs/dbraw/zinc/21/00/91/285210091.db2.gz HJGMHGOBVXVGDL-OAHLLOKOSA-N 1 0 312.458 0.692 20 70 DCIDRO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160742446 396075376 /nfs/dbraw/zinc/07/53/76/396075376.db2.gz DUSDWIQAIJURSE-UONOGXRCSA-N 1 0 308.426 0.637 20 70 DCIDRO C[C@@H](NC(=O)Nc1cnn(CC(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000160001063 545861308 /nfs/dbraw/zinc/86/13/08/545861308.db2.gz YZEGQFBHRHEHRJ-KOLCDFICSA-N 1 0 317.340 0.989 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000160531817 158354743 /nfs/dbraw/zinc/35/47/43/158354743.db2.gz GEGLEFPNVGOWAD-TXEJJXNPSA-N 1 0 309.410 0.795 20 70 DCIDRO CCC[C@@H](C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1)[NH+](C)C ZINC000160701872 158356305 /nfs/dbraw/zinc/35/63/05/158356305.db2.gz YYHYFMIOJNQLKS-ZDUSSCGKSA-N 1 0 308.430 0.488 20 70 DCIDRO COCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804828 416009052 /nfs/dbraw/zinc/00/90/52/416009052.db2.gz ONJYJPJZHMGWNV-OAHLLOKOSA-N 1 0 324.469 0.977 20 70 DCIDRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160562544 416009977 /nfs/dbraw/zinc/00/99/77/416009977.db2.gz HURQIXVMYMOENC-LBPRGKRZSA-N 1 0 323.393 0.218 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000161266719 277278180 /nfs/dbraw/zinc/27/81/80/277278180.db2.gz PNTOFDOAILJVFB-NSHDSACASA-N 1 0 301.346 0.736 20 70 DCIDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160351032 299025816 /nfs/dbraw/zinc/02/58/16/299025816.db2.gz VOBCPVBJDHMEOX-QWHCGFSZSA-N 1 0 313.442 0.500 20 70 DCIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000159451355 519730436 /nfs/dbraw/zinc/73/04/36/519730436.db2.gz AOHOMKWCECKYPO-LBPRGKRZSA-N 1 0 307.398 0.453 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000160766653 522393377 /nfs/dbraw/zinc/39/33/77/522393377.db2.gz UXAUTLSDOHSEDL-SNVBAGLBSA-N 1 0 306.341 0.789 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1 ZINC000160490282 522393546 /nfs/dbraw/zinc/39/35/46/522393546.db2.gz BEORKSMNRUDVLU-LSDHHAIUSA-N 1 0 316.405 0.754 20 70 DCIDRO C[N@@H+](CC(=O)NC(=O)NCc1ccco1)C[C@H]1CCC[C@@H]1O ZINC000159853006 522455985 /nfs/dbraw/zinc/45/59/85/522455985.db2.gz LZHGCTZIORLQJN-YPMHNXCESA-N 1 0 309.366 0.698 20 70 DCIDRO Cc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161465266 524871653 /nfs/dbraw/zinc/87/16/53/524871653.db2.gz SCKFRMJCDJPDIM-CYBMUJFWSA-N 1 0 304.387 0.725 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C2=O ZINC000161364945 545866301 /nfs/dbraw/zinc/86/63/01/545866301.db2.gz VTESGMDOONFNTA-NEPJUHHUSA-N 1 0 315.373 0.977 20 70 DCIDRO C[NH2+]CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000159812790 529956263 /nfs/dbraw/zinc/95/62/63/529956263.db2.gz LJFAXITUQYZQBN-AWEZNQCLSA-N 1 0 319.405 0.653 20 70 DCIDRO COC(=O)Cn1cc(CC[NH+]2CCC(n3cccn3)CC2)nn1 ZINC000160130616 396073161 /nfs/dbraw/zinc/07/31/61/396073161.db2.gz JMPDZZVTTKFUMN-UHFFFAOYSA-N 1 0 318.381 0.527 20 70 DCIDRO O=C1NC2(CCCC2)C(=O)N1CCN1CC[NH+](CC2CC2)CC1 ZINC000159406182 396067871 /nfs/dbraw/zinc/06/78/71/396067871.db2.gz KVYAROUZPGICDW-UHFFFAOYSA-N 1 0 320.437 0.879 20 70 DCIDRO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160756688 396075338 /nfs/dbraw/zinc/07/53/38/396075338.db2.gz ZMIYYDNEMATOLO-FZMZJTMJSA-N 1 0 312.410 0.489 20 70 DCIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000161086956 396075438 /nfs/dbraw/zinc/07/54/38/396075438.db2.gz RPAZCFHSQHLSNR-KBPBESRZSA-N 1 0 318.425 0.863 20 70 DCIDRO C[NH2+]C[C@H](C)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161009750 158356373 /nfs/dbraw/zinc/35/63/73/158356373.db2.gz UWKQKVUBRPBOCU-LBPRGKRZSA-N 1 0 307.369 0.852 20 70 DCIDRO CC(C)n1nccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000160864339 416009573 /nfs/dbraw/zinc/00/95/73/416009573.db2.gz RSDJWYWJCWEJJS-ZDUSSCGKSA-N 1 0 321.425 0.781 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1Cl ZINC000161501996 416012378 /nfs/dbraw/zinc/01/23/78/416012378.db2.gz VHAFAVARDONJCS-GFCCVEGCSA-N 1 0 306.815 0.931 20 70 DCIDRO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160740609 277320464 /nfs/dbraw/zinc/32/04/64/277320464.db2.gz IDFAXDAGRMTTFX-CZUORRHYSA-N 1 0 312.410 0.635 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(F)c1F ZINC000161506506 521885166 /nfs/dbraw/zinc/88/51/66/521885166.db2.gz KFHBQOXRGBPYSA-GFCCVEGCSA-N 1 0 308.350 0.556 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1 ZINC000160625387 522389764 /nfs/dbraw/zinc/38/97/64/522389764.db2.gz BRKMEIVUEQTVFF-OAHLLOKOSA-N 1 0 303.406 0.864 20 70 DCIDRO C[NH+]1CCN(CCNC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000161144837 523903689 /nfs/dbraw/zinc/90/36/89/523903689.db2.gz KGYYUAZQMUJHKG-UHFFFAOYSA-N 1 0 314.393 0.245 20 70 DCIDRO C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795111 524820965 /nfs/dbraw/zinc/82/09/65/524820965.db2.gz ALVOJMIHJABUAV-DZGCQCFKSA-N 1 0 316.405 0.283 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159555838 525583633 /nfs/dbraw/zinc/58/36/33/525583633.db2.gz KJHLFXRFUMUDNZ-QWHCGFSZSA-N 1 0 307.419 0.989 20 70 DCIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000159548175 525743238 /nfs/dbraw/zinc/74/32/38/525743238.db2.gz DNXMTLKMXRFORS-RWMBFGLXSA-N 1 0 308.378 0.644 20 70 DCIDRO CC(C)Cn1cnc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000161487013 528740776 /nfs/dbraw/zinc/74/07/76/528740776.db2.gz WIWVMLYKMFILMD-ZDUSSCGKSA-N 1 0 318.443 0.130 20 70 DCIDRO CC(C)NC(=O)C(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160351468 529116569 /nfs/dbraw/zinc/11/65/69/529116569.db2.gz GHOXQQPFJHWSCV-UHFFFAOYSA-N 1 0 324.469 0.531 20 70 DCIDRO CN(CC1CC1)C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159429209 545858717 /nfs/dbraw/zinc/85/87/17/545858717.db2.gz SWWJVXJDIMSREC-OAHLLOKOSA-N 1 0 322.453 0.269 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000161171773 545864684 /nfs/dbraw/zinc/86/46/84/545864684.db2.gz ZQRUBUSSXPGVHD-CHWSQXEVSA-N 1 0 305.378 0.568 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160928377 545865144 /nfs/dbraw/zinc/86/51/44/545865144.db2.gz ZVMBCKYBZQHJNP-NEPJUHHUSA-N 1 0 311.407 0.594 20 70 DCIDRO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159797842 291236609 /nfs/dbraw/zinc/23/66/09/291236609.db2.gz AMUDNRXCZBHCBK-KGLIPLIRSA-N 1 0 313.442 0.452 20 70 DCIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160046680 396072240 /nfs/dbraw/zinc/07/22/40/396072240.db2.gz FOSWOLOOMKLYTR-LLVKDONJSA-N 1 0 301.456 0.832 20 70 DCIDRO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)[NH+](C)C ZINC000159515203 396068829 /nfs/dbraw/zinc/06/88/29/396068829.db2.gz VHVXNBLVZVJDGQ-AVGNSLFASA-N 1 0 319.471 0.407 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000161244625 396076146 /nfs/dbraw/zinc/07/61/46/396076146.db2.gz UNOKNABTEOFKGU-LLVKDONJSA-N 1 0 308.382 0.061 20 70 DCIDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1 ZINC000160122522 158352562 /nfs/dbraw/zinc/35/25/62/158352562.db2.gz JMTNGCMQERXYFR-ZDUSSCGKSA-N 1 0 323.418 0.578 20 70 DCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ncoc1[C@H]1CCCO1 ZINC000160577524 158354634 /nfs/dbraw/zinc/35/46/34/158354634.db2.gz OSRXOTDHIAMLHA-CYBMUJFWSA-N 1 0 323.393 0.960 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000161236212 158357135 /nfs/dbraw/zinc/35/71/35/158357135.db2.gz YXVIRKALINSDLF-GFCCVEGCSA-N 1 0 307.398 0.407 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000161424519 416012307 /nfs/dbraw/zinc/01/23/07/416012307.db2.gz CZQMHMTXCUFXGM-CYBMUJFWSA-N 1 0 312.395 0.154 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000160719290 277296241 /nfs/dbraw/zinc/29/62/41/277296241.db2.gz ZRQIKBYIQXOZMT-GFCCVEGCSA-N 1 0 302.378 0.899 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000161466411 521884012 /nfs/dbraw/zinc/88/40/12/521884012.db2.gz VWHOINVFMJHNCH-GFCCVEGCSA-N 1 0 321.830 0.467 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000160591963 522393624 /nfs/dbraw/zinc/39/36/24/522393624.db2.gz QJCGUBALXCHPOQ-CYBMUJFWSA-N 1 0 303.341 0.899 20 70 DCIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@H]1CCOC1 ZINC000161014595 522872307 /nfs/dbraw/zinc/87/23/07/522872307.db2.gz KOMFAFWSEAJDHY-LSDHHAIUSA-N 1 0 319.405 0.806 20 70 DCIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159406453 523607724 /nfs/dbraw/zinc/60/77/24/523607724.db2.gz YSGMZNJOJZXDPS-ZDUSSCGKSA-N 1 0 304.398 0.891 20 70 DCIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)N1CCCCCC1 ZINC000161404461 534866381 /nfs/dbraw/zinc/86/63/81/534866381.db2.gz POSLMEGYXBUGGB-UHFFFAOYSA-N 1 0 319.471 0.401 20 70 DCIDRO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160834097 526865899 /nfs/dbraw/zinc/86/58/99/526865899.db2.gz WOQAACNMVROGKM-TUAOUCFPSA-N 1 0 302.296 0.999 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000160792613 545864395 /nfs/dbraw/zinc/86/43/95/545864395.db2.gz XLRVTMXXHQRETH-NXEZZACHSA-N 1 0 315.395 0.496 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000160780003 545865064 /nfs/dbraw/zinc/86/50/64/545865064.db2.gz KJUVUOVYPFHOQQ-QWHCGFSZSA-N 1 0 304.394 0.918 20 70 DCIDRO CN(C1CCCCC1)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161453690 237095970 /nfs/dbraw/zinc/09/59/70/237095970.db2.gz CCUZEZGYIZDAGY-CYBMUJFWSA-N 1 0 307.460 0.398 20 70 DCIDRO O=S(=O)(C[C@@H]1CCCCO1)NCC1CC[NH+](CCO)CC1 ZINC000161387634 237096365 /nfs/dbraw/zinc/09/63/65/237096365.db2.gz KRWRHHDQUROWRZ-AWEZNQCLSA-N 1 0 320.455 0.179 20 70 DCIDRO CCC[C@@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC000159896047 291237087 /nfs/dbraw/zinc/23/70/87/291237087.db2.gz IZZZMKPYXGLBRQ-CYBMUJFWSA-N 1 0 314.430 0.217 20 70 DCIDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3O)ccn2)CC1 ZINC000161209940 291240923 /nfs/dbraw/zinc/24/09/23/291240923.db2.gz CMNDWNLFSFLFNG-ZIAGYGMSSA-N 1 0 304.394 0.477 20 70 DCIDRO CC(C)[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[NH+]1CCCCC1 ZINC000161235699 291240968 /nfs/dbraw/zinc/24/09/68/291240968.db2.gz PSIXVJMMNRDNJM-BFHYXJOUSA-N 1 0 311.426 0.646 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 ZINC000160603433 532956629 /nfs/dbraw/zinc/95/66/29/532956629.db2.gz NKTDZRDALUCHIH-GFCCVEGCSA-N 1 0 300.362 0.607 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)C1 ZINC000160743758 533031611 /nfs/dbraw/zinc/03/16/11/533031611.db2.gz VECLGDWIJWQARJ-NSHDSACASA-N 1 0 320.418 0.895 20 70 DCIDRO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159976085 396072232 /nfs/dbraw/zinc/07/22/32/396072232.db2.gz VUUATALKMJNSSQ-FKZIUMHTSA-N 1 0 314.389 0.807 20 70 DCIDRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159604758 545860251 /nfs/dbraw/zinc/86/02/51/545860251.db2.gz CSWOOUXPBIQTIB-GFCCVEGCSA-N 1 0 317.455 0.578 20 70 DCIDRO C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000160000917 545861601 /nfs/dbraw/zinc/86/16/01/545861601.db2.gz YZEGQFBHRHEHRJ-ONGXEEELSA-N 1 0 317.340 0.989 20 70 DCIDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)C1 ZINC000159478619 158352751 /nfs/dbraw/zinc/35/27/51/158352751.db2.gz YIVRXJDINWFWGF-JHJVBQTASA-N 1 0 300.399 0.489 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000161344937 158357139 /nfs/dbraw/zinc/35/71/39/158357139.db2.gz JLRKKVNDYXMTOW-QWHCGFSZSA-N 1 0 307.398 0.113 20 70 DCIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[NH3+])CC2)cc1 ZINC000161254858 158357483 /nfs/dbraw/zinc/35/74/83/158357483.db2.gz CJLGCRUVZUGILQ-CYBMUJFWSA-N 1 0 319.405 0.646 20 70 DCIDRO COC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161040210 416010964 /nfs/dbraw/zinc/01/09/64/416010964.db2.gz RPDFODIEVLZFPQ-CQSZACIVSA-N 1 0 305.378 0.416 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000161449138 521856764 /nfs/dbraw/zinc/85/67/64/521856764.db2.gz UELSMTIKLTVQAY-LBPRGKRZSA-N 1 0 306.815 0.931 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000160766777 522503598 /nfs/dbraw/zinc/50/35/98/522503598.db2.gz UXAUTLSDOHSEDL-JTQLQIEISA-N 1 0 306.341 0.789 20 70 DCIDRO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000159668218 522658240 /nfs/dbraw/zinc/65/82/40/522658240.db2.gz REUXGZNBFPBLLP-CYBMUJFWSA-N 1 0 317.455 0.547 20 70 DCIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000161041436 522806813 /nfs/dbraw/zinc/80/68/13/522806813.db2.gz KPERXPMVONHZSJ-STQMWFEESA-N 1 0 306.362 0.799 20 70 DCIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161308335 524947414 /nfs/dbraw/zinc/94/74/14/524947414.db2.gz MYFYYYOCJLDRKS-WPRPVWTQSA-N 1 0 322.228 0.811 20 70 DCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000160253924 526485139 /nfs/dbraw/zinc/48/51/39/526485139.db2.gz QDEUOEAQLWWPQP-CYBMUJFWSA-N 1 0 306.362 0.992 20 70 DCIDRO CCCN(CC1CC1)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161453419 528026743 /nfs/dbraw/zinc/02/67/43/528026743.db2.gz URAGCUOCXSPHSM-ZDUSSCGKSA-N 1 0 307.460 0.255 20 70 DCIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000159657683 528895752 /nfs/dbraw/zinc/89/57/52/528895752.db2.gz ZLHKYLHNTIXDBA-VXGBXAGGSA-N 1 0 300.403 0.001 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000161319897 545866688 /nfs/dbraw/zinc/86/66/88/545866688.db2.gz UPLCSTBYFOKZFP-LBPRGKRZSA-N 1 0 311.407 0.466 20 70 DCIDRO C[N@@H+](CC(=O)NCCCN1CCCC1=O)C[C@@H]1CCC[C@@H]1O ZINC000159648396 291235478 /nfs/dbraw/zinc/23/54/78/291235478.db2.gz XQFLCIZAJBLCNH-KBPBESRZSA-N 1 0 311.426 0.208 20 70 DCIDRO COCCCS(=O)(=O)NCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159770063 291236500 /nfs/dbraw/zinc/23/65/00/291236500.db2.gz WHBBAAZHDYZOPR-OLZOCXBDSA-N 1 0 308.444 0.035 20 70 DCIDRO Cn1cnnc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000160844791 291239924 /nfs/dbraw/zinc/23/99/24/291239924.db2.gz IRIMTBRMKJOMBR-UHFFFAOYSA-N 1 0 321.347 0.902 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)/C=C/c1cccnc1 ZINC000161317209 291241590 /nfs/dbraw/zinc/24/15/90/291241590.db2.gz WPDPJJUYFPEMRZ-PSKZRQQASA-N 1 0 302.378 0.421 20 70 DCIDRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCCCC1 ZINC000159548726 396069302 /nfs/dbraw/zinc/06/93/02/396069302.db2.gz HNOKWBXEWKSGNX-NSHDSACASA-N 1 0 305.382 0.540 20 70 DCIDRO CCn1nnnc1-c1cccc(NC(=O)C[NH2+]CCOC)c1 ZINC000159587872 396069884 /nfs/dbraw/zinc/06/98/84/396069884.db2.gz FQYISYHOHVANLM-UHFFFAOYSA-N 1 0 304.354 0.535 20 70 DCIDRO CNC(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159566765 158352965 /nfs/dbraw/zinc/35/29/65/158352965.db2.gz RWURHPVZOSNNFZ-ZFWWWQNUSA-N 1 0 318.421 0.942 20 70 DCIDRO CCCNC(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159384944 158353267 /nfs/dbraw/zinc/35/32/67/158353267.db2.gz VKDPOICXLQCBEC-TZMCWYRMSA-N 1 0 310.442 0.315 20 70 DCIDRO CCC[NH+]1CCC(CNS(=O)(=O)N2CCOCC2)CC1 ZINC000161230657 158357178 /nfs/dbraw/zinc/35/71/78/158357178.db2.gz DLUFFWMJRFTNPO-UHFFFAOYSA-N 1 0 305.444 0.275 20 70 DCIDRO CC(C)c1noc(CCC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160622318 416009457 /nfs/dbraw/zinc/00/94/57/416009457.db2.gz SDZGUFOCEMXGNK-UHFFFAOYSA-N 1 0 324.425 0.946 20 70 DCIDRO NS(=O)(=O)NC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161011341 416011803 /nfs/dbraw/zinc/01/18/03/416011803.db2.gz RSPNNEVKTDKCIQ-AWEZNQCLSA-N 1 0 318.487 0.368 20 70 DCIDRO COc1cccc(CCNC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000217422559 261151809 /nfs/dbraw/zinc/15/18/09/261151809.db2.gz TZBIQRQAMDASLA-UHFFFAOYSA-N 1 0 306.410 0.442 20 70 DCIDRO COc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000217267365 261152376 /nfs/dbraw/zinc/15/23/76/261152376.db2.gz SOJJPUBYFPEPQW-UHFFFAOYSA-N 1 0 308.382 0.731 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000160721288 522501895 /nfs/dbraw/zinc/50/18/95/522501895.db2.gz IZJKBAHLWRQLET-LSDHHAIUSA-N 1 0 314.393 0.586 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000160522423 522503190 /nfs/dbraw/zinc/50/31/90/522503190.db2.gz AEOOFDNQZPJSEP-LBPRGKRZSA-N 1 0 316.336 0.806 20 70 DCIDRO C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H]2C[NH3+])C1=O ZINC000160280737 525066132 /nfs/dbraw/zinc/06/61/32/525066132.db2.gz DMASLFDWXOYDLZ-VXGBXAGGSA-N 1 0 303.362 0.750 20 70 DCIDRO O=C(NCCNC(=O)[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000160020003 526329368 /nfs/dbraw/zinc/32/93/68/526329368.db2.gz WNZQEKFSQRATLC-JTQLQIEISA-N 1 0 311.332 0.810 20 70 DCIDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCC(C)(C)[NH3+] ZINC000159968122 527093963 /nfs/dbraw/zinc/09/39/63/527093963.db2.gz VJWCGYYNYGNFGB-UHFFFAOYSA-N 1 0 305.382 0.274 20 70 DCIDRO CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160697931 527586748 /nfs/dbraw/zinc/58/67/48/527586748.db2.gz LAIKAXHRQUBJRQ-CYBMUJFWSA-N 1 0 313.442 0.502 20 70 DCIDRO CCC(=O)N[C@H](CCSC)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159500907 528415114 /nfs/dbraw/zinc/41/51/14/528415114.db2.gz ZBVDSCYBSWVSMV-FRRDWIJNSA-N 1 0 313.467 0.987 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000161409882 545865705 /nfs/dbraw/zinc/86/57/05/545865705.db2.gz WSCKFHAJIIXCJZ-HUUCEWRRSA-N 1 0 317.437 0.590 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000161344417 529989090 /nfs/dbraw/zinc/98/90/90/529989090.db2.gz MRBPUTKFWMHLHN-LBPRGKRZSA-N 1 0 302.382 0.494 20 70 DCIDRO O=C(c1ccc2c(c1)OCC(=O)N2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160545463 237086408 /nfs/dbraw/zinc/08/64/08/237086408.db2.gz XCVBCEPXKQFUBR-TXEJJXNPSA-N 1 0 301.346 0.984 20 70 DCIDRO C[C@@]1(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC[NH2+]C1 ZINC000161005342 237091365 /nfs/dbraw/zinc/09/13/65/237091365.db2.gz YUHNJHJRWYHQMH-QGZVFWFLSA-N 1 0 319.380 0.996 20 70 DCIDRO COc1cccc([C@H](CNC(=O)[C@H]2CCNC(=O)C2)[NH+](C)C)c1 ZINC000159650584 291235367 /nfs/dbraw/zinc/23/53/67/291235367.db2.gz GPTQTICAFSFWJB-ZFWWWQNUSA-N 1 0 319.405 0.940 20 70 DCIDRO C[N@H+](CC(=O)NCc1ccc(C(N)=O)cc1)[C@@H]1CCSC1 ZINC000160254466 291238038 /nfs/dbraw/zinc/23/80/38/291238038.db2.gz PSUUBTCIFNDVBV-CYBMUJFWSA-N 1 0 307.419 0.839 20 70 DCIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000161087209 396075552 /nfs/dbraw/zinc/07/55/52/396075552.db2.gz RPAZCFHSQHLSNR-UONOGXRCSA-N 1 0 318.425 0.863 20 70 DCIDRO CC(C)[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC000161151829 396076399 /nfs/dbraw/zinc/07/63/99/396076399.db2.gz FILRAASFCFGSCP-LBPRGKRZSA-N 1 0 305.444 0.113 20 70 DCIDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160074937 158353012 /nfs/dbraw/zinc/35/30/12/158353012.db2.gz ZNCFNCLKTCEDFD-LBPRGKRZSA-N 1 0 307.398 0.241 20 70 DCIDRO Cn1cnc2cc(C(=O)NCCC[NH+]3CCC(O)CC3)cnc21 ZINC000160551371 416010028 /nfs/dbraw/zinc/01/00/28/416010028.db2.gz DSHOLZSVNLBIGP-UHFFFAOYSA-N 1 0 317.393 0.545 20 70 DCIDRO CCN(CC)S(=O)(=O)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161470990 416013428 /nfs/dbraw/zinc/01/34/28/416013428.db2.gz SLOUYIHYGFULMB-UHFFFAOYSA-N 1 0 319.471 0.695 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000161424640 416013522 /nfs/dbraw/zinc/01/35/22/416013522.db2.gz CZQMHMTXCUFXGM-ZDUSSCGKSA-N 1 0 312.395 0.154 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000161180856 522049504 /nfs/dbraw/zinc/04/95/04/522049504.db2.gz IWRFRNUDHREOQB-VIFPVBQESA-N 1 0 303.409 0.220 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)o1 ZINC000160301351 522257010 /nfs/dbraw/zinc/25/70/10/522257010.db2.gz XUZYBJLQPZUOPH-SECBINFHSA-N 1 0 301.368 0.059 20 70 DCIDRO C[N@@H+]1CC[C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000161259732 523981471 /nfs/dbraw/zinc/98/14/71/523981471.db2.gz YZWHECCMLVLKAH-SECBINFHSA-N 1 0 302.421 0.833 20 70 DCIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1C(N)=O ZINC000159931777 525498354 /nfs/dbraw/zinc/49/83/54/525498354.db2.gz FIJAWBRIRIWIED-CYBMUJFWSA-N 1 0 311.407 0.452 20 70 DCIDRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CC[NH2+]CC1 ZINC000159373293 526436249 /nfs/dbraw/zinc/43/62/49/526436249.db2.gz BWOWUONYGKAFHQ-AWEZNQCLSA-N 1 0 318.356 0.336 20 70 DCIDRO [NH3+]C1(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160430624 527127493 /nfs/dbraw/zinc/12/74/93/527127493.db2.gz QSCSEYQOXKPEIJ-JTQLQIEISA-N 1 0 312.753 0.752 20 70 DCIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000160278871 527212931 /nfs/dbraw/zinc/21/29/31/527212931.db2.gz KYDRDNJRTHNZOB-ZDUSSCGKSA-N 1 0 323.418 0.691 20 70 DCIDRO CCC(=O)N[C@@H](CCSC)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159500787 528396258 /nfs/dbraw/zinc/39/62/58/528396258.db2.gz ZBVDSCYBSWVSMV-XQQFMLRXSA-N 1 0 313.467 0.987 20 70 DCIDRO C[C@H](NC(=O)Nc1ccc(C(N)=O)cc1F)[C@@H]1CN(C)CCO1 ZINC000160212528 545860717 /nfs/dbraw/zinc/86/07/17/545860717.db2.gz IOPQBTXISDGMEF-ZANVPECISA-N 1 0 324.356 0.765 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000161165399 545864263 /nfs/dbraw/zinc/86/42/63/545864263.db2.gz LTTVZGMARRUUPY-WDEREUQCSA-N 1 0 308.382 0.237 20 70 DCIDRO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161348312 545866787 /nfs/dbraw/zinc/86/67/87/545866787.db2.gz WWAAHPITJJFFSY-STQMWFEESA-N 1 0 317.455 0.434 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000161309014 545866816 /nfs/dbraw/zinc/86/68/16/545866816.db2.gz QDOJLNHZPLZYGY-DTWKUNHWSA-N 1 0 301.368 0.187 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000160514708 533037698 /nfs/dbraw/zinc/03/76/98/533037698.db2.gz MSGFALTYBOYEEV-ZDUSSCGKSA-N 1 0 323.418 0.561 20 70 DCIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000159547847 396069584 /nfs/dbraw/zinc/06/95/84/396069584.db2.gz FWHWOMVGSPSOLU-STQMWFEESA-N 1 0 322.405 0.818 20 70 DCIDRO CN(CCOc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000160005226 158352699 /nfs/dbraw/zinc/35/26/99/158352699.db2.gz ONNHPOZYVHPHHW-CQSZACIVSA-N 1 0 313.423 0.382 20 70 DCIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000159479600 158352768 /nfs/dbraw/zinc/35/27/68/158352768.db2.gz CLHJAZRBVPPNCY-MELADBBJSA-N 1 0 322.405 0.986 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000160162624 158353093 /nfs/dbraw/zinc/35/30/93/158353093.db2.gz DFQJZKRTDZHTNM-CYBMUJFWSA-N 1 0 323.418 0.691 20 70 DCIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159966861 279149783 /nfs/dbraw/zinc/14/97/83/279149783.db2.gz ATVDZNJTTXIOGE-OLZOCXBDSA-N 1 0 317.455 0.689 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)COc1ccccc1 ZINC000161297920 522048209 /nfs/dbraw/zinc/04/82/09/522048209.db2.gz AMIVDCKNZWRELW-ZDUSSCGKSA-N 1 0 305.378 0.392 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)o1 ZINC000160301489 522258066 /nfs/dbraw/zinc/25/80/66/522258066.db2.gz XUZYBJLQPZUOPH-VIFPVBQESA-N 1 0 301.368 0.059 20 70 DCIDRO C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@@H]1CCC[C@@H]1O ZINC000159704607 522516930 /nfs/dbraw/zinc/51/69/30/522516930.db2.gz CXGMKZTUJPTZNQ-FZMZJTMJSA-N 1 0 305.378 0.817 20 70 DCIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000159587431 523770562 /nfs/dbraw/zinc/77/05/62/523770562.db2.gz JQRDFMRZZDXKNL-GFCCVEGCSA-N 1 0 302.338 0.287 20 70 DCIDRO Cc1csc2nc(C[N@@H+](C)CC(C)(CO)CO)cc(=O)n12 ZINC000159591611 526453290 /nfs/dbraw/zinc/45/32/90/526453290.db2.gz GZHKMQOBRDAMJJ-UHFFFAOYSA-N 1 0 311.407 0.487 20 70 DCIDRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC([NH3+])(CC)CC ZINC000160499904 529219787 /nfs/dbraw/zinc/21/97/87/529219787.db2.gz UNYIOCRSXWZOJR-WDEREUQCSA-N 1 0 307.460 0.584 20 70 DCIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCC(F)(F)F ZINC000161325761 545866585 /nfs/dbraw/zinc/86/65/85/545866585.db2.gz QGCQCSIVZUOVLL-UHFFFAOYSA-N 1 0 302.300 0.882 20 70 DCIDRO CCC(CC)(C[NH2+]CCC(=O)N1CCOCC1)C(=O)OC ZINC000159663657 291236058 /nfs/dbraw/zinc/23/60/58/291236058.db2.gz SCAKUYRVEMKLLH-UHFFFAOYSA-N 1 0 300.399 0.804 20 70 DCIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ncccc1F ZINC000159855643 291237038 /nfs/dbraw/zinc/23/70/38/291237038.db2.gz ZMCATCCPAKSTOM-LBPRGKRZSA-N 1 0 309.389 0.656 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000160439621 291238779 /nfs/dbraw/zinc/23/87/79/291238779.db2.gz LTIZJCZYVKHQBQ-UHFFFAOYSA-N 1 0 305.382 0.507 20 70 DCIDRO CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160637866 396074010 /nfs/dbraw/zinc/07/40/10/396074010.db2.gz DDTKIIIAGSYBRM-GJZGRUSLSA-N 1 0 313.442 0.803 20 70 DCIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000160524685 158354049 /nfs/dbraw/zinc/35/40/49/158354049.db2.gz PGSVFZHSQYHYRX-CHWSQXEVSA-N 1 0 302.440 0.658 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 ZINC000160298885 158354150 /nfs/dbraw/zinc/35/41/50/158354150.db2.gz WLYBRFPHWHPONT-CYBMUJFWSA-N 1 0 323.418 0.548 20 70 DCIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000160463910 158354306 /nfs/dbraw/zinc/35/43/06/158354306.db2.gz PYULJSMPPCXRNB-TZMCWYRMSA-N 1 0 315.373 0.972 20 70 DCIDRO O=C([C@@H]1CC[NH2+]C1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161012672 158355813 /nfs/dbraw/zinc/35/58/13/158355813.db2.gz BWJRYMUMGZRNBD-CYBMUJFWSA-N 1 0 305.353 0.606 20 70 DCIDRO C[C@H](CNC(=O)NCCN1C(=O)CCC1=O)C[NH+]1CCCC1 ZINC000217190048 416327637 /nfs/dbraw/zinc/32/76/37/416327637.db2.gz TVRZTJRDVJHTTL-GFCCVEGCSA-N 1 0 310.398 0.167 20 70 DCIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000161318638 521709791 /nfs/dbraw/zinc/70/97/91/521709791.db2.gz LIXXGCFUUHQYEL-JTQLQIEISA-N 1 0 301.346 0.642 20 70 DCIDRO COCCS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159374445 521768814 /nfs/dbraw/zinc/76/88/14/521768814.db2.gz WLMMRZBMCVPLAI-UHFFFAOYSA-N 1 0 312.391 0.152 20 70 DCIDRO CNC(=O)c1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160413278 521865677 /nfs/dbraw/zinc/86/56/77/521865677.db2.gz YTMZAKVHLZSAQG-OAHLLOKOSA-N 1 0 319.405 0.623 20 70 DCIDRO COc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)nn1 ZINC000160141521 523691334 /nfs/dbraw/zinc/69/13/34/523691334.db2.gz HTGFTHNAPXMNAU-UHFFFAOYSA-N 1 0 321.425 0.489 20 70 DCIDRO Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2=O)cc1 ZINC000160928086 524973093 /nfs/dbraw/zinc/97/30/93/524973093.db2.gz LQBWLYYPTPWZCR-KGLIPLIRSA-N 1 0 303.362 0.205 20 70 DCIDRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCC[NH2+]C1 ZINC000161289195 525787350 /nfs/dbraw/zinc/78/73/50/525787350.db2.gz YFWBHHSOZYAVQE-MRXNPFEDSA-N 1 0 305.378 0.954 20 70 DCIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(CO)COC1 ZINC000160944146 527965308 /nfs/dbraw/zinc/96/53/08/527965308.db2.gz AKCVNWYYXJSRMZ-CQSZACIVSA-N 1 0 313.442 0.805 20 70 DCIDRO CCNC(=O)N1CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159680315 528146585 /nfs/dbraw/zinc/14/65/85/528146585.db2.gz AFJITOXYNIBPDP-ZDUSSCGKSA-N 1 0 313.446 0.772 20 70 DCIDRO CCCCN(C)S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161420147 528364248 /nfs/dbraw/zinc/36/42/48/528364248.db2.gz KBIIWLWGYLHJET-UHFFFAOYSA-N 1 0 307.460 0.257 20 70 DCIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000159454842 237076574 /nfs/dbraw/zinc/07/65/74/237076574.db2.gz USYJIDWONMBQDC-UONOGXRCSA-N 1 0 313.442 0.948 20 70 DCIDRO CN(C1CCCCC1)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161453821 237094565 /nfs/dbraw/zinc/09/45/65/237094565.db2.gz CCUZEZGYIZDAGY-ZDUSSCGKSA-N 1 0 307.460 0.398 20 70 DCIDRO COCCCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159769927 291236603 /nfs/dbraw/zinc/23/66/03/291236603.db2.gz WHBBAAZHDYZOPR-STQMWFEESA-N 1 0 308.444 0.035 20 70 DCIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159950511 291237017 /nfs/dbraw/zinc/23/70/17/291237017.db2.gz RRMXCBJLDJHDMS-GFCCVEGCSA-N 1 0 310.379 0.214 20 70 DCIDRO CC[C@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000161338831 291241497 /nfs/dbraw/zinc/24/14/97/291241497.db2.gz ZTQUVOCAHPJNEB-CYBMUJFWSA-N 1 0 303.362 0.739 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000159543794 396069707 /nfs/dbraw/zinc/06/97/07/396069707.db2.gz ZMLSEXSAAHPQRT-UHFFFAOYSA-N 1 0 302.382 0.967 20 70 DCIDRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]C1CCCCCC1 ZINC000159629058 396069844 /nfs/dbraw/zinc/06/98/44/396069844.db2.gz QSQZLKDCVYZUED-UHFFFAOYSA-N 1 0 310.398 0.357 20 70 DCIDRO COC[C@@H](O)CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160174625 522412392 /nfs/dbraw/zinc/41/23/92/522412392.db2.gz IPCONLMYUFLPBB-KBMXLJTQSA-N 1 0 321.421 0.956 20 70 DCIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000160100702 522663228 /nfs/dbraw/zinc/66/32/28/522663228.db2.gz OVTLSJHGINJTAC-ZDUSSCGKSA-N 1 0 302.806 0.678 20 70 DCIDRO COC(=O)CCCc1nnc(NC(=O)[C@@H]([NH3+])C(C)C)s1 ZINC000161214201 523053994 /nfs/dbraw/zinc/05/39/94/523053994.db2.gz WKOIMVWYZDFMGK-JTQLQIEISA-N 1 0 300.384 0.956 20 70 DCIDRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159484358 525236255 /nfs/dbraw/zinc/23/62/55/525236255.db2.gz YWOAUUBLOYQROD-OAHLLOKOSA-N 1 0 322.409 0.485 20 70 DCIDRO O=C(NCCNC(=O)[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000160019861 526327942 /nfs/dbraw/zinc/32/79/42/526327942.db2.gz WNZQEKFSQRATLC-SNVBAGLBSA-N 1 0 311.332 0.810 20 70 DCIDRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[NH2+]CCO1 ZINC000160399339 527046889 /nfs/dbraw/zinc/04/68/89/527046889.db2.gz CGYHWYMQACEXHC-QWHCGFSZSA-N 1 0 323.780 0.550 20 70 DCIDRO CCNC(=O)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159680441 528135281 /nfs/dbraw/zinc/13/52/81/528135281.db2.gz AFJITOXYNIBPDP-CYBMUJFWSA-N 1 0 313.446 0.772 20 70 DCIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000159657951 528896260 /nfs/dbraw/zinc/89/62/60/528896260.db2.gz ZLHKYLHNTIXDBA-NEPJUHHUSA-N 1 0 300.403 0.001 20 70 DCIDRO CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160049509 528988140 /nfs/dbraw/zinc/98/81/40/528988140.db2.gz WHRNFQHKZPPFRV-OLZOCXBDSA-N 1 0 314.430 0.177 20 70 DCIDRO C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)[C@@H]1CN(C)CCO1 ZINC000160111308 545861270 /nfs/dbraw/zinc/86/12/70/545861270.db2.gz DRWNJGXAXWEQRF-YUTCNCBUSA-N 1 0 324.425 0.158 20 70 DCIDRO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159604892 545861678 /nfs/dbraw/zinc/86/16/78/545861678.db2.gz CSWOOUXPBIQTIB-LBPRGKRZSA-N 1 0 317.455 0.578 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160927973 545864559 /nfs/dbraw/zinc/86/45/59/545864559.db2.gz ZVMBCKYBZQHJNP-NWDGAFQWSA-N 1 0 311.407 0.594 20 70 DCIDRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000160937561 545865139 /nfs/dbraw/zinc/86/51/39/545865139.db2.gz LDLSQTYGSUQYMW-ZIBATOQPSA-N 1 0 308.382 0.093 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000160853837 545865345 /nfs/dbraw/zinc/86/53/45/545865345.db2.gz CANOKQYUASNXTH-STQMWFEESA-N 1 0 317.455 0.578 20 70 DCIDRO C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161330720 545866318 /nfs/dbraw/zinc/86/63/18/545866318.db2.gz PBQAJOSIZOLDFL-HOCLYGCPSA-N 1 0 318.421 0.887 20 70 DCIDRO COC(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000218007399 291000726 /nfs/dbraw/zinc/00/07/26/291000726.db2.gz XRHNJZCFZFVDJY-NEPJUHHUSA-N 1 0 304.412 0.438 20 70 DCIDRO Cc1nc(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n[nH]1 ZINC000160291645 237082110 /nfs/dbraw/zinc/08/21/10/237082110.db2.gz FOJLIMTXMQHIOP-LLVKDONJSA-N 1 0 313.427 0.168 20 70 DCIDRO CS[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000159674314 291236127 /nfs/dbraw/zinc/23/61/27/291236127.db2.gz NGEQWFVDDAJMSJ-QWHCGFSZSA-N 1 0 302.488 0.921 20 70 DCIDRO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCCS1(=O)=O)C(C)C ZINC000159810608 396071089 /nfs/dbraw/zinc/07/10/89/396071089.db2.gz JNAFGAANJANGKQ-ZDUSSCGKSA-N 1 0 319.471 0.982 20 70 DCIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160770372 396075454 /nfs/dbraw/zinc/07/54/54/396075454.db2.gz UWYKCCOAGHWCLD-UONOGXRCSA-N 1 0 308.426 0.638 20 70 DCIDRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000161185541 396076253 /nfs/dbraw/zinc/07/62/53/396076253.db2.gz WGWBVRRFSFQPGR-BXUZGUMPSA-N 1 0 308.426 0.853 20 70 DCIDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160075068 158353137 /nfs/dbraw/zinc/35/31/37/158353137.db2.gz ZNCFNCLKTCEDFD-GFCCVEGCSA-N 1 0 307.398 0.241 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000161222761 158357382 /nfs/dbraw/zinc/35/73/82/158357382.db2.gz AHXHEQJFZFMPHH-UHFFFAOYSA-N 1 0 319.471 0.587 20 70 DCIDRO CC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000161461761 158357592 /nfs/dbraw/zinc/35/75/92/158357592.db2.gz XYCSNSSVOIVRFQ-AWEZNQCLSA-N 1 0 314.407 0.480 20 70 DCIDRO CCN(CC)C(=O)CN1CCC[N@H+](CC(OC)OC)CC1 ZINC000160540905 416008551 /nfs/dbraw/zinc/00/85/51/416008551.db2.gz ZDZQLGYVOWNDPI-UHFFFAOYSA-N 1 0 301.431 0.481 20 70 DCIDRO CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160056859 518900046 /nfs/dbraw/zinc/90/00/46/518900046.db2.gz ZWKFWDSZSAQFIA-ZDUSSCGKSA-N 1 0 312.435 0.886 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000161309158 522047770 /nfs/dbraw/zinc/04/77/70/522047770.db2.gz PIHYRMJOMWUOPO-ZDUSSCGKSA-N 1 0 300.366 0.551 20 70 DCIDRO C[NH+](C)[C@H](CNC(=O)NCC1(CO)COC1)c1cccs1 ZINC000160940316 522074765 /nfs/dbraw/zinc/07/47/65/522074765.db2.gz IEBSQWBZQLXIQW-LLVKDONJSA-N 1 0 313.423 0.659 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)ccc1F ZINC000160587572 522392577 /nfs/dbraw/zinc/39/25/77/522392577.db2.gz RIIVVEGHAZIUHJ-SNVBAGLBSA-N 1 0 315.370 0.168 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 ZINC000160479050 522502310 /nfs/dbraw/zinc/50/23/10/522502310.db2.gz FBNHGZDUWLAPGV-JTQLQIEISA-N 1 0 306.757 0.750 20 70 DCIDRO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1N ZINC000161202637 524592205 /nfs/dbraw/zinc/59/22/05/524592205.db2.gz GKWHKDJODXVBTL-LLVKDONJSA-N 1 0 320.393 0.626 20 70 DCIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161308110 524945490 /nfs/dbraw/zinc/94/54/90/524945490.db2.gz MYFYYYOCJLDRKS-WCBMZHEXSA-N 1 0 322.228 0.811 20 70 DCIDRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159937104 526438709 /nfs/dbraw/zinc/43/87/09/526438709.db2.gz KVIXZVTXWPEJCS-CYBMUJFWSA-N 1 0 320.372 0.758 20 70 DCIDRO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159793284 526618543 /nfs/dbraw/zinc/61/85/43/526618543.db2.gz CFJXDDMYUWTESA-QEJZJMRPSA-N 1 0 311.426 0.158 20 70 DCIDRO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161349855 545866030 /nfs/dbraw/zinc/86/60/30/545866030.db2.gz LRMWVKIKPFGLRX-VHSXEESVSA-N 1 0 304.350 0.835 20 70 DCIDRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCC[NH3+])CCCC1 ZINC000160064658 237082690 /nfs/dbraw/zinc/08/26/90/237082690.db2.gz BOSARMISDBIEBY-UHFFFAOYSA-N 1 0 321.425 0.545 20 70 DCIDRO COc1cccc([C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[NH+](C)C)c1 ZINC000159650354 291235323 /nfs/dbraw/zinc/23/53/23/291235323.db2.gz GPTQTICAFSFWJB-HIFRSBDPSA-N 1 0 319.405 0.940 20 70 DCIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ncccc1F ZINC000159855722 291237131 /nfs/dbraw/zinc/23/71/31/291237131.db2.gz ZMCATCCPAKSTOM-GFCCVEGCSA-N 1 0 309.389 0.656 20 70 DCIDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000159739278 291236154 /nfs/dbraw/zinc/23/61/54/291236154.db2.gz SLGKYJQYLIBFGA-CYBMUJFWSA-N 1 0 312.435 0.900 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160467875 533031051 /nfs/dbraw/zinc/03/10/51/533031051.db2.gz VYVJGAIDHFCGFN-ZDUSSCGKSA-N 1 0 310.419 0.979 20 70 DCIDRO COCC[N@H+](C)CCCNC(=O)c1cnc2c(c1)ncn2C ZINC000160110142 396073395 /nfs/dbraw/zinc/07/33/95/396073395.db2.gz UMXATFWTIFVDSG-UHFFFAOYSA-N 1 0 305.382 0.666 20 70 DCIDRO CSC[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160681570 396075092 /nfs/dbraw/zinc/07/50/92/396075092.db2.gz QOHGZVOYFGZPOB-TZMCWYRMSA-N 1 0 301.456 0.884 20 70 DCIDRO CN1CCC(=O)Nc2cc(C(=O)N3CCC[NH2+]CC3)ccc21 ZINC000160861549 416009956 /nfs/dbraw/zinc/00/99/56/416009956.db2.gz DQRVDHDRORAVMO-UHFFFAOYSA-N 1 0 302.378 0.901 20 70 DCIDRO CC(C)n1ncc2cc(C=CC(=O)NCCC[NH3+])c(=O)[nH]c21 ZINC000160137205 520078381 /nfs/dbraw/zinc/07/83/81/520078381.db2.gz RWIZIGGVILDFMU-SNAWJCMRSA-N 1 0 303.366 0.784 20 70 DCIDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311707 520103424 /nfs/dbraw/zinc/10/34/24/520103424.db2.gz PKAVNGXIBNNQPO-YPMHNXCESA-N 1 0 316.423 0.643 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000160639643 522500346 /nfs/dbraw/zinc/50/03/46/522500346.db2.gz FQFONIQRSWFBHO-LBPRGKRZSA-N 1 0 302.378 0.550 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1 ZINC000160625289 522500658 /nfs/dbraw/zinc/50/06/58/522500658.db2.gz BRKMEIVUEQTVFF-HNNXBMFYSA-N 1 0 303.406 0.864 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000160592080 522503347 /nfs/dbraw/zinc/50/33/47/522503347.db2.gz QJCGUBALXCHPOQ-ZDUSSCGKSA-N 1 0 303.341 0.899 20 70 DCIDRO C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@H]1CCC[C@@H]1O ZINC000159704767 522517949 /nfs/dbraw/zinc/51/79/49/522517949.db2.gz CXGMKZTUJPTZNQ-RISCZKNCSA-N 1 0 305.378 0.817 20 70 DCIDRO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160287119 523394534 /nfs/dbraw/zinc/39/45/34/523394534.db2.gz NSWKNNKKHUYPGU-VMIDCOPPSA-N 1 0 317.389 0.773 20 70 DCIDRO C[NH+]1CCC(NC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000161076897 523771266 /nfs/dbraw/zinc/77/12/66/523771266.db2.gz ZSNVMRWPNPYREH-UHFFFAOYSA-N 1 0 304.394 0.802 20 70 DCIDRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000160713751 523900706 /nfs/dbraw/zinc/90/07/06/523900706.db2.gz XXSXIGVRUVJQSA-VXGBXAGGSA-N 1 0 323.397 0.102 20 70 DCIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000159529533 524009722 /nfs/dbraw/zinc/00/97/22/524009722.db2.gz AHPGRLWLFNQJMV-OAHLLOKOSA-N 1 0 303.406 0.802 20 70 DCIDRO C[C@@H](C(=O)NCCC[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000160127466 524182646 /nfs/dbraw/zinc/18/26/46/524182646.db2.gz VVMBWTAKAUQSPU-ZDUSSCGKSA-N 1 0 308.401 0.801 20 70 DCIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161343867 524989257 /nfs/dbraw/zinc/98/92/57/524989257.db2.gz ZHIIXEWNXHMSOV-SSDOTTSWSA-N 1 0 301.343 0.552 20 70 DCIDRO Cc1cc(F)ccc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161436162 525000017 /nfs/dbraw/zinc/00/00/17/525000017.db2.gz CZKRAHVRZBAZMZ-CYBMUJFWSA-N 1 0 304.387 0.725 20 70 DCIDRO CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000160128619 525589246 /nfs/dbraw/zinc/58/92/46/525589246.db2.gz GSFTUKNUAOSCFU-AWEZNQCLSA-N 1 0 323.462 0.932 20 70 DCIDRO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H]2C[NH3+])C1=O ZINC000160280873 525613509 /nfs/dbraw/zinc/61/35/09/525613509.db2.gz DMASLFDWXOYDLZ-NWDGAFQWSA-N 1 0 303.362 0.750 20 70 DCIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000161131153 526239483 /nfs/dbraw/zinc/23/94/83/526239483.db2.gz WPJUHLJNQMQCHE-DOMZBBRYSA-N 1 0 308.378 0.957 20 70 DCIDRO Cc1conc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160123850 526296952 /nfs/dbraw/zinc/29/69/52/526296952.db2.gz DWURFYHQYNTIJM-TXEJJXNPSA-N 1 0 324.381 0.537 20 70 DCIDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161325594 526566051 /nfs/dbraw/zinc/56/60/51/526566051.db2.gz IPYIGVIVOYHCOS-OWCLPIDISA-N 1 0 304.390 0.775 20 70 DCIDRO Cn1cc(C(=O)NCC2CC[NH+](CCn3ccnc3)CC2)cn1 ZINC000159841937 527162134 /nfs/dbraw/zinc/16/21/34/527162134.db2.gz OOVGMXXTXFUXDG-UHFFFAOYSA-N 1 0 316.409 0.759 20 70 DCIDRO CC(C)(C(N)=O)c1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000160381659 527544363 /nfs/dbraw/zinc/54/43/63/527544363.db2.gz RNMHNUJGZOJOSG-ZDUSSCGKSA-N 1 0 305.378 0.767 20 70 DCIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000159657809 528894484 /nfs/dbraw/zinc/89/44/84/528894484.db2.gz ZLHKYLHNTIXDBA-RYUDHWBXSA-N 1 0 300.403 0.001 20 70 DCIDRO Cc1conc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160350423 545862723 /nfs/dbraw/zinc/86/27/23/545862723.db2.gz IDWJUGCRDNKZPK-UHFFFAOYSA-N 1 0 315.333 0.665 20 70 DCIDRO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161348183 545866290 /nfs/dbraw/zinc/86/62/90/545866290.db2.gz WWAAHPITJJFFSY-QWHCGFSZSA-N 1 0 317.455 0.434 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C1Cc2ccccc2C1 ZINC000161508600 545866951 /nfs/dbraw/zinc/86/69/51/545866951.db2.gz AEEUCUOTDSZXMI-HNNXBMFYSA-N 1 0 312.435 0.386 20 70 DCIDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCC[C@H]1O ZINC000161151852 291240529 /nfs/dbraw/zinc/24/05/29/291240529.db2.gz MVGNIJSPTITHEW-HUUCEWRRSA-N 1 0 318.421 0.623 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000161186580 291240793 /nfs/dbraw/zinc/24/07/93/291240793.db2.gz ODRYSBNIFFYDJV-UHFFFAOYSA-N 1 0 323.441 0.653 20 70 DCIDRO COCCC1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000161425829 533180668 /nfs/dbraw/zinc/18/06/68/533180668.db2.gz CXRDHBACAZOVAS-ZDUSSCGKSA-N 1 0 311.426 0.507 20 70 DCIDRO COC(=O)[C@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160256553 533553490 /nfs/dbraw/zinc/55/34/90/533553490.db2.gz UDILHOYJDPASGR-BARDWOONSA-N 1 0 324.421 0.680 20 70 DCIDRO CSCC[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)[NH3+] ZINC000160012444 533653063 /nfs/dbraw/zinc/65/30/63/533653063.db2.gz NOCBCCYQFOQJAJ-JTQLQIEISA-N 1 0 313.423 0.985 20 70 DCIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865175 396071240 /nfs/dbraw/zinc/07/12/40/396071240.db2.gz VKLJUNJTVLGUEJ-UPJWGTAASA-N 1 0 317.455 0.736 20 70 DCIDRO CC[C@@H]1CN(Cc2nsc(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000159913583 396071513 /nfs/dbraw/zinc/07/15/13/396071513.db2.gz LCKAJTNTIKRUOK-VXGBXAGGSA-N 1 0 313.471 0.881 20 70 DCIDRO CCCCNC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161375246 396076085 /nfs/dbraw/zinc/07/60/85/396076085.db2.gz SPSWSAVWCULCFS-UHFFFAOYSA-N 1 0 319.409 0.830 20 70 DCIDRO COCC[NH2+]CC(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000160959330 158355379 /nfs/dbraw/zinc/35/53/79/158355379.db2.gz QAVUTGAEIMZVHZ-UHFFFAOYSA-N 1 0 308.382 0.632 20 70 DCIDRO O=C(C[NH2+]CC1CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161009135 158356212 /nfs/dbraw/zinc/35/62/12/158356212.db2.gz UBVXWVBMXPQVIA-UHFFFAOYSA-N 1 0 319.380 0.996 20 70 DCIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160927168 158356325 /nfs/dbraw/zinc/35/63/25/158356325.db2.gz ZXDYKDQVYVJYDT-ILXRZTDVSA-N 1 0 312.458 0.425 20 70 DCIDRO CN(CCN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833100 158356415 /nfs/dbraw/zinc/35/64/15/158356415.db2.gz LCYVQUIURPCXTB-HNNXBMFYSA-N 1 0 324.469 0.977 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000161475025 158357414 /nfs/dbraw/zinc/35/74/14/158357414.db2.gz KSXFNIUWVJLDAL-GFCCVEGCSA-N 1 0 308.350 0.556 20 70 DCIDRO CCn1c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[nH]c(=O)c1=O ZINC000160319144 523262176 /nfs/dbraw/zinc/26/21/76/523262176.db2.gz QBHAPLAWAKIMFH-LLVKDONJSA-N 1 0 316.361 0.273 20 70 DCIDRO COCCOCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160506768 523979688 /nfs/dbraw/zinc/97/96/88/523979688.db2.gz VHPLCFQTSVMVFV-JKSUJKDBSA-N 1 0 322.405 0.401 20 70 DCIDRO COCCOCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160506514 523980001 /nfs/dbraw/zinc/98/00/01/523980001.db2.gz VHPLCFQTSVMVFV-HOTGVXAUSA-N 1 0 322.405 0.401 20 70 DCIDRO CNC(=O)COc1cccc(CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000161075482 524075112 /nfs/dbraw/zinc/07/51/12/524075112.db2.gz OTZFIWYJXXHFMQ-UHFFFAOYSA-N 1 0 319.405 0.564 20 70 DCIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccccc1F ZINC000161414455 534866264 /nfs/dbraw/zinc/86/62/64/534866264.db2.gz MHRFIWVOSQRWIA-UHFFFAOYSA-N 1 0 316.398 0.808 20 70 DCIDRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000159994442 526436661 /nfs/dbraw/zinc/43/66/61/526436661.db2.gz CVPASBXHJDVDAI-ZDUSSCGKSA-N 1 0 320.372 0.758 20 70 DCIDRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161325492 526505822 /nfs/dbraw/zinc/50/58/22/526505822.db2.gz IPYIGVIVOYHCOS-JYJNAYRXSA-N 1 0 304.390 0.775 20 70 DCIDRO O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000160461584 527170695 /nfs/dbraw/zinc/17/06/95/527170695.db2.gz IOUJJNOLKYMXCH-OCCSQVGLSA-N 1 0 315.373 0.972 20 70 DCIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159634988 291235247 /nfs/dbraw/zinc/23/52/47/291235247.db2.gz XKIFYJRXLDTOAN-HUUCEWRRSA-N 1 0 303.406 0.802 20 70 DCIDRO Cn1cc(N2CCC[C@@H](N3CC[NH+](CC4CC4)CC3)C2=O)cn1 ZINC000159408014 396068113 /nfs/dbraw/zinc/06/81/13/396068113.db2.gz HZFSTDWOUMMABV-MRXNPFEDSA-N 1 0 317.437 0.943 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000160531944 158354446 /nfs/dbraw/zinc/35/44/46/158354446.db2.gz GEGLEFPNVGOWAD-RYUDHWBXSA-N 1 0 309.410 0.795 20 70 DCIDRO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000160765533 158356345 /nfs/dbraw/zinc/35/63/45/158356345.db2.gz IPIODETXXRFQLV-ZDUSSCGKSA-N 1 0 321.425 0.936 20 70 DCIDRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000161089291 416011892 /nfs/dbraw/zinc/01/18/92/416011892.db2.gz NBQHEPZVAUJXDS-GFCCVEGCSA-N 1 0 322.413 0.564 20 70 DCIDRO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1C(=O)c2ccccc2C1=O ZINC000160281404 519788997 /nfs/dbraw/zinc/78/89/97/519788997.db2.gz IBGQIXRZOILNIH-RISCZKNCSA-N 1 0 315.373 0.867 20 70 DCIDRO CCOC[C@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311580 520160464 /nfs/dbraw/zinc/16/04/64/520160464.db2.gz PKAVNGXIBNNQPO-DGCLKSJQSA-N 1 0 316.423 0.643 20 70 DCIDRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159913444 522151787 /nfs/dbraw/zinc/15/17/87/522151787.db2.gz VKVYSLBBXCJYNX-CYBMUJFWSA-N 1 0 312.391 0.831 20 70 DCIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(CO)COC1 ZINC000160944261 527968010 /nfs/dbraw/zinc/96/80/10/527968010.db2.gz AKCVNWYYXJSRMZ-AWEZNQCLSA-N 1 0 313.442 0.805 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000160780154 545864545 /nfs/dbraw/zinc/86/45/45/545864545.db2.gz KJUVUOVYPFHOQQ-STQMWFEESA-N 1 0 304.394 0.918 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC000160801488 533037517 /nfs/dbraw/zinc/03/75/17/533037517.db2.gz ZLMKLEOIRAQOCY-QWRGUYRKSA-N 1 0 315.377 0.502 20 70 DCIDRO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1=O ZINC000159625016 396069740 /nfs/dbraw/zinc/06/97/40/396069740.db2.gz ZYLAMBSJOLQDNV-QWRGUYRKSA-N 1 0 320.393 0.586 20 70 DCIDRO CN(CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160005098 158352399 /nfs/dbraw/zinc/35/23/99/158352399.db2.gz ONNHPOZYVHPHHW-AWEZNQCLSA-N 1 0 313.423 0.382 20 70 DCIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000161251595 158357103 /nfs/dbraw/zinc/35/71/03/158357103.db2.gz VNBAOAREEHBQHP-ZDUSSCGKSA-N 1 0 305.378 0.392 20 70 DCIDRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000159639870 286797510 /nfs/dbraw/zinc/79/75/10/286797510.db2.gz KYDDXPFRNMJMHR-VXGBXAGGSA-N 1 0 319.471 0.728 20 70 DCIDRO C[NH+](C)[C@@H](CNC(=O)CNC1(C(N)=O)CC1)c1ccccc1 ZINC000160681122 416009882 /nfs/dbraw/zinc/00/98/82/416009882.db2.gz QXGAJDTZXWOWCA-ZDUSSCGKSA-N 1 0 304.394 0.013 20 70 DCIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000161479811 416013488 /nfs/dbraw/zinc/01/34/88/416013488.db2.gz BTUPWPRHZWRISZ-GFCCVEGCSA-N 1 0 324.429 0.380 20 70 DCIDRO CNC(=O)c1cccc(CCNC(=O)[C@H]([NH3+])CCSC)c1 ZINC000161421122 416014032 /nfs/dbraw/zinc/01/40/32/416014032.db2.gz IGGRUOMIBIFXGR-CYBMUJFWSA-N 1 0 309.435 0.785 20 70 DCIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)C[NH2+]CCOC)CC2 ZINC000160750909 279937364 /nfs/dbraw/zinc/93/73/64/279937364.db2.gz XXMOXQCNDCVOJJ-STQMWFEESA-N 1 0 300.399 0.001 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000161466544 521856037 /nfs/dbraw/zinc/85/60/37/521856037.db2.gz 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311.304 0.466 20 70 DCIDRO O=C(NC[C@H](O)COCC1CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160691044 396075492 /nfs/dbraw/zinc/07/54/92/396075492.db2.gz CNXHBFBWUYWIJI-CABCVRRESA-N 1 0 311.426 0.557 20 70 DCIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCn2cnnc2C1 ZINC000160892343 396075554 /nfs/dbraw/zinc/07/55/54/396075554.db2.gz KPJZYUHMFQXWBY-GFCCVEGCSA-N 1 0 304.398 0.820 20 70 DCIDRO COC1(C(=O)NCCCNC(=O)c2occc2C)CC[NH2+]CC1 ZINC000160385628 158354966 /nfs/dbraw/zinc/35/49/66/158354966.db2.gz USWKFCIMIDPJEO-UHFFFAOYSA-N 1 0 323.393 0.593 20 70 DCIDRO CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160949762 158356265 /nfs/dbraw/zinc/35/62/65/158356265.db2.gz NPIWRBCPFJPKLY-LBPRGKRZSA-N 1 0 311.407 0.674 20 70 DCIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000161251719 158357390 /nfs/dbraw/zinc/35/73/90/158357390.db2.gz VNBAOAREEHBQHP-CYBMUJFWSA-N 1 0 305.378 0.392 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000161265557 158357575 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C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C1 ZINC000160609140 522391894 /nfs/dbraw/zinc/39/18/94/522391894.db2.gz QEWVOKXFOIDJCJ-CYBMUJFWSA-N 1 0 312.373 0.975 20 70 DCIDRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000160713489 523901038 /nfs/dbraw/zinc/90/10/38/523901038.db2.gz XXSXIGVRUVJQSA-NEPJUHHUSA-N 1 0 323.397 0.102 20 70 DCIDRO Cc1ccc(NC(=O)C2([NH3+])CC2)cc1S(=O)(=O)NC1CC1 ZINC000160093271 525021054 /nfs/dbraw/zinc/02/10/54/525021054.db2.gz VHDJFVXMMANRLT-UHFFFAOYSA-N 1 0 309.391 0.866 20 70 DCIDRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160396650 527047941 /nfs/dbraw/zinc/04/79/41/527047941.db2.gz RVMACTPNFPSLDB-RWMBFGLXSA-N 1 0 323.780 0.284 20 70 DCIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000160028205 528741619 /nfs/dbraw/zinc/74/16/19/528741619.db2.gz DTWDBGLWMLFIDL-KGLIPLIRSA-N 1 0 310.442 0.977 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000160904099 545864763 /nfs/dbraw/zinc/86/47/63/545864763.db2.gz YGJGSJLITLEBDK-NEPJUHHUSA-N 1 0 315.377 0.568 20 70 DCIDRO CN(CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)F)nn1 ZINC001165043137 721937010 /nfs/dbraw/zinc/93/70/10/721937010.db2.gz NYVWTVPMLVAURE-UHFFFAOYSA-N 1 0 302.375 0.913 20 70 DCIDRO C[NH+](C)CC1CCN(c2ccc(S(=O)(=O)F)nn2)CC1 ZINC001165045601 721949297 /nfs/dbraw/zinc/94/92/97/721949297.db2.gz SJSXIDSVJCAOSB-UHFFFAOYSA-N 1 0 302.375 0.913 20 70 DCIDRO COc1cccc(C[C@H](NC(C)=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000160047456 237079159 /nfs/dbraw/zinc/07/91/59/237079159.db2.gz RWGBQWBXZZGJMI-AWEZNQCLSA-N 1 0 307.394 0.596 20 70 DCIDRO O=C(Cn1ncc(=O)c2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160079741 237082612 /nfs/dbraw/zinc/08/26/12/237082612.db2.gz NNQRTKUUAKPTFZ-BETUJISGSA-N 1 0 312.373 0.749 20 70 DCIDRO CN(C)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)co1 ZINC000160246308 237082843 /nfs/dbraw/zinc/08/28/43/237082843.db2.gz DXTBHDNVLQFJBA-UHFFFAOYSA-N 1 0 315.395 0.354 20 70 DCIDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH2+]CC2)cc1 ZINC000159366216 237071996 /nfs/dbraw/zinc/07/19/96/237071996.db2.gz MPRJSPMARYOFRJ-LBPRGKRZSA-N 1 0 311.407 0.094 20 70 DCIDRO C[C@H](C(=O)NCC(F)(F)F)N1CCC(OCCC[NH3+])CC1 ZINC000159883620 291237030 /nfs/dbraw/zinc/23/70/30/291237030.db2.gz QBLKJKPSKQZPOT-SNVBAGLBSA-N 1 0 311.348 0.883 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000160500034 532968782 /nfs/dbraw/zinc/96/87/82/532968782.db2.gz XNAYIKRPCLSDJO-GFCCVEGCSA-N 1 0 302.378 0.959 20 70 DCIDRO COC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000159449969 396068499 /nfs/dbraw/zinc/06/84/99/396068499.db2.gz CZTGYMHKJFQZCD-VXGBXAGGSA-N 1 0 313.423 0.211 20 70 DCIDRO CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160637611 396074559 /nfs/dbraw/zinc/07/45/59/396074559.db2.gz DDTKIIIAGSYBRM-CABCVRRESA-N 1 0 313.442 0.803 20 70 DCIDRO CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160742316 396074893 /nfs/dbraw/zinc/07/48/93/396074893.db2.gz DUSDWIQAIJURSE-KGLIPLIRSA-N 1 0 308.426 0.637 20 70 DCIDRO COc1ccccc1OCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160699115 416009599 /nfs/dbraw/zinc/00/95/99/416009599.db2.gz SHHKXSACHPEELI-UHFFFAOYSA-N 1 0 322.405 0.895 20 70 DCIDRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000161089421 416010325 /nfs/dbraw/zinc/01/03/25/416010325.db2.gz NBQHEPZVAUJXDS-LBPRGKRZSA-N 1 0 322.413 0.564 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160994243 416011711 /nfs/dbraw/zinc/01/17/11/416011711.db2.gz OTYHPZGIGHWTSX-PWSUYJOCSA-N 1 0 320.422 0.920 20 70 DCIDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C ZINC000161421352 416013600 /nfs/dbraw/zinc/01/36/00/416013600.db2.gz NMTXIQQWSNAGDF-CQSZACIVSA-N 1 0 316.423 0.595 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000159805909 279287526 /nfs/dbraw/zinc/28/75/26/279287526.db2.gz HZYJAQBIBHZVPJ-ZDUSSCGKSA-N 1 0 306.414 0.639 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000159622000 521608548 /nfs/dbraw/zinc/60/85/48/521608548.db2.gz VGINEOJRXPVPTP-UHFFFAOYSA-N 1 0 319.409 0.549 20 70 DCIDRO CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160578369 521688398 /nfs/dbraw/zinc/68/83/98/521688398.db2.gz IMHZTZIBCWEGIJ-CYBMUJFWSA-N 1 0 310.419 0.843 20 70 DCIDRO C[NH2+]C[C@H](C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160979365 522068422 /nfs/dbraw/zinc/06/84/22/522068422.db2.gz CZJLBORJXZPBCS-KBPBESRZSA-N 1 0 319.405 0.638 20 70 DCIDRO C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795700 524988575 /nfs/dbraw/zinc/98/85/75/524988575.db2.gz ALVOJMIHJABUAV-UKRRQHHQSA-N 1 0 316.405 0.283 20 70 DCIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2F)c1 ZINC000159777036 526249126 /nfs/dbraw/zinc/24/91/26/526249126.db2.gz QQQOOXWDOFALKK-DGCLKSJQSA-N 1 0 304.325 0.981 20 70 DCIDRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000160399089 527047925 /nfs/dbraw/zinc/04/79/25/527047925.db2.gz CGYHWYMQACEXHC-STQMWFEESA-N 1 0 323.780 0.550 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000160535296 528925118 /nfs/dbraw/zinc/92/51/18/528925118.db2.gz BHKROOMKLWLXSG-UHFFFAOYSA-N 1 0 304.398 0.917 20 70 DCIDRO CC[NH+]1CCN([C@@H]2CCN(Cc3nsc(N(C)C)n3)C2)CC1 ZINC000160049020 529151223 /nfs/dbraw/zinc/15/12/23/529151223.db2.gz YEOFKXFBKGXMNX-CYBMUJFWSA-N 1 0 324.498 0.816 20 70 DCIDRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962251 237092158 /nfs/dbraw/zinc/09/21/58/237092158.db2.gz WWMZGQPNYOLVKB-AGIUHOORSA-N 1 0 318.439 0.179 20 70 DCIDRO C[N@H+](CC(=O)NCCOC[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000159646370 291235191 /nfs/dbraw/zinc/23/51/91/291235191.db2.gz JFNSFFULSBWLGA-CHWSQXEVSA-N 1 0 302.440 0.736 20 70 DCIDRO CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[N@@H+](CC)CC1)CC2 ZINC000159865090 396071143 /nfs/dbraw/zinc/07/11/43/396071143.db2.gz PCJBAGZNGAQATG-CYBMUJFWSA-N 1 0 320.441 0.893 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000159826908 396071569 /nfs/dbraw/zinc/07/15/69/396071569.db2.gz BFMOOPOIBMLKMW-UHFFFAOYSA-N 1 0 310.442 0.982 20 70 DCIDRO O=C(NC[C@H](O)COCC1CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160690909 396074841 /nfs/dbraw/zinc/07/48/41/396074841.db2.gz CNXHBFBWUYWIJI-GJZGRUSLSA-N 1 0 311.426 0.557 20 70 DCIDRO Nc1nc(-n2cccn2)cc(N2CCC(n3ccnn3)CC2)[nH+]1 ZINC000160203995 158352548 /nfs/dbraw/zinc/35/25/48/158352548.db2.gz BWCUSCARRWISDP-UHFFFAOYSA-N 1 0 311.353 0.678 20 70 DCIDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161190081 158355942 /nfs/dbraw/zinc/35/59/42/158355942.db2.gz ZZWLWOLLCGCKNI-QWHCGFSZSA-N 1 0 306.414 0.576 20 70 DCIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[NH3+])CC2)cc1 ZINC000161254726 158356868 /nfs/dbraw/zinc/35/68/68/158356868.db2.gz CJLGCRUVZUGILQ-ZDUSSCGKSA-N 1 0 319.405 0.646 20 70 DCIDRO CCc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000161480191 158357161 /nfs/dbraw/zinc/35/71/61/158357161.db2.gz IBFHKNHGJWEJQI-CQSZACIVSA-N 1 0 300.424 0.840 20 70 DCIDRO CC(C)[C@@H](C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)[NH+](C)C ZINC000159515596 416006641 /nfs/dbraw/zinc/00/66/41/416006641.db2.gz VHVXNBLVZVJDGQ-UPJWGTAASA-N 1 0 319.471 0.407 20 70 DCIDRO CC[C@@H](O)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160942950 416011813 /nfs/dbraw/zinc/01/18/13/416011813.db2.gz HPIZRUYSWVLIKP-CQSZACIVSA-N 1 0 300.447 0.473 20 70 DCIDRO CC1(C)CC(=O)c2cc(C(=O)N3CC[NH2+]CC3)c(=O)[nH]c2C1 ZINC000159365013 278186113 /nfs/dbraw/zinc/18/61/13/278186113.db2.gz NORCRMXMXUWQRJ-UHFFFAOYSA-N 1 0 303.362 0.575 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000161449007 521884559 /nfs/dbraw/zinc/88/45/59/521884559.db2.gz UELSMTIKLTVQAY-GFCCVEGCSA-N 1 0 306.815 0.931 20 70 DCIDRO CC[NH+]1CCC(NC(=O)c2coc(S(=O)(=O)NC)c2)CC1 ZINC000160338350 521576395 /nfs/dbraw/zinc/57/63/95/521576395.db2.gz KUBZHGVGILPSMQ-UHFFFAOYSA-N 1 0 315.395 0.402 20 70 DCIDRO CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160211961 521688226 /nfs/dbraw/zinc/68/82/26/521688226.db2.gz CKZJDIQSUXYKCO-ZDUSSCGKSA-N 1 0 310.419 0.972 20 70 DCIDRO COC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000161014020 522747650 /nfs/dbraw/zinc/74/76/50/522747650.db2.gz UYLNOTYAOYAOOZ-AWEZNQCLSA-N 1 0 307.394 0.662 20 70 DCIDRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000159529640 524014378 /nfs/dbraw/zinc/01/43/78/524014378.db2.gz AHPGRLWLFNQJMV-HNNXBMFYSA-N 1 0 303.406 0.802 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000160183067 527362658 /nfs/dbraw/zinc/36/26/58/527362658.db2.gz RTQQJEFTGNHLNK-LLVKDONJSA-N 1 0 315.370 0.054 20 70 DCIDRO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000159543987 527597855 /nfs/dbraw/zinc/59/78/55/527597855.db2.gz BOTLWAFABGVCEP-LLVKDONJSA-N 1 0 306.410 0.859 20 70 DCIDRO C[C@@H](NC(=O)Nc1ccc(C(N)=O)cc1F)[C@@H]1CN(C)CCO1 ZINC000160212702 545861168 /nfs/dbraw/zinc/86/11/68/545861168.db2.gz IOPQBTXISDGMEF-RNCFNFMXSA-N 1 0 324.356 0.765 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000160903719 545865095 /nfs/dbraw/zinc/86/50/95/545865095.db2.gz YGJGSJLITLEBDK-NWDGAFQWSA-N 1 0 315.377 0.568 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1cccc(F)c1 ZINC000161410953 237094490 /nfs/dbraw/zinc/09/44/90/237094490.db2.gz ADOARXXQBGICTL-CYBMUJFWSA-N 1 0 304.387 0.558 20 70 DCIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000159899322 291236905 /nfs/dbraw/zinc/23/69/05/291236905.db2.gz GFJRDTGCIMQRHM-JTQLQIEISA-N 1 0 315.395 0.531 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 ZINC000160603568 533030447 /nfs/dbraw/zinc/03/04/47/533030447.db2.gz NKTDZRDALUCHIH-LBPRGKRZSA-N 1 0 300.362 0.607 20 70 DCIDRO CC(C)[NH+](CCNC(=O)NC[C@H]1CCCS1(=O)=O)C(C)C ZINC000159810718 396071529 /nfs/dbraw/zinc/07/15/29/396071529.db2.gz JNAFGAANJANGKQ-CYBMUJFWSA-N 1 0 319.471 0.982 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000160277233 396073202 /nfs/dbraw/zinc/07/32/02/396073202.db2.gz IVJMXSWFWBDKQF-GXTWGEPZSA-N 1 0 302.378 0.380 20 70 DCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ncoc1[C@@H]1CCCO1 ZINC000160577390 158354231 /nfs/dbraw/zinc/35/42/31/158354231.db2.gz OSRXOTDHIAMLHA-ZDUSSCGKSA-N 1 0 323.393 0.960 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(F)ccc1F ZINC000161450189 158357458 /nfs/dbraw/zinc/35/74/58/158357458.db2.gz LPKOMWQTRSQMFL-LBPRGKRZSA-N 1 0 308.350 0.556 20 70 DCIDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(F)c1 ZINC000161443113 416013497 /nfs/dbraw/zinc/01/34/97/416013497.db2.gz JRNCJWXZJVUSQQ-CYBMUJFWSA-N 1 0 304.387 0.725 20 70 DCIDRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000161436556 533804863 /nfs/dbraw/zinc/80/48/63/533804863.db2.gz GKWQEOMBNVAKGT-XQQFMLRXSA-N 1 0 307.460 0.111 20 70 DCIDRO CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000161409968 520271828 /nfs/dbraw/zinc/27/18/28/520271828.db2.gz ALLUQWPWMFFONG-RRFJBIMHSA-N 1 0 319.405 0.829 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000160599640 522500693 /nfs/dbraw/zinc/50/06/93/522500693.db2.gz LFITXNXGWCGFRT-CABCVRRESA-N 1 0 301.390 0.855 20 70 DCIDRO COC(=O)CCCc1nnc(NC(=O)[C@]2(C)CC[NH2+]C2)s1 ZINC000159735778 523053589 /nfs/dbraw/zinc/05/35/89/523053589.db2.gz ILSJCMJNTMEQAX-CYBMUJFWSA-N 1 0 312.395 0.972 20 70 DCIDRO COc1ccc(CN2C[C@@H](C(=O)NCC(C)(C)[NH3+])CC2=O)cc1 ZINC000160118369 524040561 /nfs/dbraw/zinc/04/05/61/524040561.db2.gz DCSUASWISZFAHE-ZDUSSCGKSA-N 1 0 319.405 0.897 20 70 DCIDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1C[NH2+]CCO1 ZINC000160399212 526924417 /nfs/dbraw/zinc/92/44/17/526924417.db2.gz CGYHWYMQACEXHC-OLZOCXBDSA-N 1 0 323.780 0.550 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C2=O ZINC000161364811 545866529 /nfs/dbraw/zinc/86/65/29/545866529.db2.gz VTESGMDOONFNTA-VXGBXAGGSA-N 1 0 315.373 0.977 20 70 DCIDRO CNC(=O)COc1cccc(CC(=O)NCCC[NH+](C)C)c1 ZINC000160971662 529866348 /nfs/dbraw/zinc/86/63/48/529866348.db2.gz JVSJJGXZQREIOL-UHFFFAOYSA-N 1 0 307.394 0.422 20 70 DCIDRO O=S(=O)(C[C@H]1CCCCO1)NCC1CC[NH+](CCO)CC1 ZINC000161387750 237095935 /nfs/dbraw/zinc/09/59/35/237095935.db2.gz KRWRHHDQUROWRZ-CQSZACIVSA-N 1 0 320.455 0.179 20 70 DCIDRO CCCN(C(=O)[C@@H](C)N(C)C[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000159476062 291234592 /nfs/dbraw/zinc/23/45/92/291234592.db2.gz ROAFWMRCFLLNKJ-UPJWGTAASA-N 1 0 320.455 0.113 20 70 DCIDRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160193413 291237636 /nfs/dbraw/zinc/23/76/36/291237636.db2.gz QSKJQVVMUNUGRJ-MRXNPFEDSA-N 1 0 312.458 0.569 20 70 DCIDRO Cn1c2ccccc2n(CCC(=O)N2CCC[C@@H]2C[NH3+])c1=O ZINC000160266455 396073079 /nfs/dbraw/zinc/07/30/79/396073079.db2.gz ZRCCREWVDCOZRU-GFCCVEGCSA-N 1 0 302.378 0.680 20 70 DCIDRO CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160770466 396075382 /nfs/dbraw/zinc/07/53/82/396075382.db2.gz UWYKCCOAGHWCLD-KGLIPLIRSA-N 1 0 308.426 0.638 20 70 DCIDRO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160740755 158356375 /nfs/dbraw/zinc/35/63/75/158356375.db2.gz IDFAXDAGRMTTFX-CJNGLKHVSA-N 1 0 312.410 0.635 20 70 DCIDRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)n1 ZINC000161044754 416011351 /nfs/dbraw/zinc/01/13/51/416011351.db2.gz YMMLUEKLLCVNBQ-GFCCVEGCSA-N 1 0 302.382 0.842 20 70 DCIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000160100981 519716755 /nfs/dbraw/zinc/71/67/55/519716755.db2.gz PMBNUEUNDQHELI-KRWDZBQOSA-N 1 0 321.421 0.867 20 70 DCIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000161318508 521717343 /nfs/dbraw/zinc/71/73/43/521717343.db2.gz LIXXGCFUUHQYEL-SNVBAGLBSA-N 1 0 301.346 0.642 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000161236075 522085688 /nfs/dbraw/zinc/08/56/88/522085688.db2.gz CYYHPCYEYXJTKY-CYBMUJFWSA-N 1 0 305.378 0.765 20 70 DCIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nnnn1-c1ccccc1 ZINC000160996577 525292713 /nfs/dbraw/zinc/29/27/13/525292713.db2.gz YRAYUYAWVXTYFG-NEPJUHHUSA-N 1 0 300.366 0.839 20 70 DCIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2F)c1 ZINC000159776782 526249098 /nfs/dbraw/zinc/24/90/98/526249098.db2.gz QQQOOXWDOFALKK-WCQYABFASA-N 1 0 304.325 0.981 20 70 DCIDRO O=C(CCC(=O)N1CCc2sccc2C1)N1CC[NH2+]CC1 ZINC000159402197 526382410 /nfs/dbraw/zinc/38/24/10/526382410.db2.gz MUEDNZHFZXBDKV-UHFFFAOYSA-N 1 0 307.419 0.845 20 70 DCIDRO O=C(c1cc[nH]c(=O)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000159977254 526646308 /nfs/dbraw/zinc/64/63/08/526646308.db2.gz IHYKEXGLQRRGGI-UHFFFAOYSA-N 1 0 304.394 0.229 20 70 DCIDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[NH2+]CCO1 ZINC000160399480 526924152 /nfs/dbraw/zinc/92/41/52/526924152.db2.gz CGYHWYMQACEXHC-CHWSQXEVSA-N 1 0 323.780 0.550 20 70 DCIDRO NC(=O)Nc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160278800 526950713 /nfs/dbraw/zinc/95/07/13/526950713.db2.gz GBFSQSQXWDDZJH-CQSZACIVSA-N 1 0 320.393 0.754 20 70 DCIDRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000160238620 545863658 /nfs/dbraw/zinc/86/36/58/545863658.db2.gz MUSSECHFTQSRCT-TZMCWYRMSA-N 1 0 324.429 0.285 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000161171522 545864414 /nfs/dbraw/zinc/86/44/14/545864414.db2.gz ZQRUBUSSXPGVHD-QWHCGFSZSA-N 1 0 305.378 0.568 20 70 DCIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159635246 291235409 /nfs/dbraw/zinc/23/54/09/291235409.db2.gz XKIFYJRXLDTOAN-LSDHHAIUSA-N 1 0 303.406 0.802 20 70 DCIDRO COCC[N@H+](C)CCCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160342800 291238205 /nfs/dbraw/zinc/23/82/05/291238205.db2.gz IVQKNSMQJFDOCI-UHFFFAOYSA-N 1 0 308.444 0.284 20 70 DCIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2c(=O)[nH]n(C)c2n1 ZINC000159913193 291746509 /nfs/dbraw/zinc/74/65/09/291746509.db2.gz AOFLGSPHCACEIC-PHIMTYICSA-N 1 0 315.377 0.537 20 70 DCIDRO CC1=C(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000159804551 396070577 /nfs/dbraw/zinc/07/05/77/396070577.db2.gz DGBODVAATWOUIT-HNNXBMFYSA-N 1 0 321.421 0.836 20 70 DCIDRO COCC[NH2+]CC(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000160946242 158356267 /nfs/dbraw/zinc/35/62/67/158356267.db2.gz JGRKQUPCLUOQAS-UHFFFAOYSA-N 1 0 307.394 0.283 20 70 DCIDRO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000159639601 286809231 /nfs/dbraw/zinc/80/92/31/286809231.db2.gz KYDDXPFRNMJMHR-NEPJUHHUSA-N 1 0 319.471 0.728 20 70 DCIDRO COC(=O)c1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160666125 416010040 /nfs/dbraw/zinc/01/00/40/416010040.db2.gz RMYPWKAIGFTLPV-UHFFFAOYSA-N 1 0 320.389 0.907 20 70 DCIDRO CCS(=O)(=O)NCCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161387523 416013262 /nfs/dbraw/zinc/01/32/62/416013262.db2.gz FHIFYCBZUYHLNR-UHFFFAOYSA-N 1 0 305.444 0.353 20 70 DCIDRO COCCN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161390962 416013718 /nfs/dbraw/zinc/01/37/18/416013718.db2.gz KETIIOOQQGUKPB-ZIAGYGMSSA-N 1 0 304.456 0.606 20 70 DCIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)N1CCc2ccccc2C1 ZINC000159956529 277001302 /nfs/dbraw/zinc/00/13/02/277001302.db2.gz QAQYROZCWNVEKE-HNNXBMFYSA-N 1 0 309.435 0.959 20 70 DCIDRO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160202033 519797263 /nfs/dbraw/zinc/79/72/63/519797263.db2.gz 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529094642 /nfs/dbraw/zinc/09/46/42/529094642.db2.gz XNGYRTDZGDMGJP-UHFFFAOYSA-N 1 0 307.442 0.969 20 70 DCIDRO C[C@]1(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC[NH2+]C1 ZINC000161005212 237090380 /nfs/dbraw/zinc/09/03/80/237090380.db2.gz YUHNJHJRWYHQMH-KRWDZBQOSA-N 1 0 319.380 0.996 20 70 DCIDRO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161399155 237095853 /nfs/dbraw/zinc/09/58/53/237095853.db2.gz MXXNJKUUIYQVOR-LBPRGKRZSA-N 1 0 317.393 0.553 20 70 DCIDRO COC1(C(=O)NCc2ccccc2OCCO)CC[NH2+]CC1 ZINC000159810570 532971631 /nfs/dbraw/zinc/97/16/31/532971631.db2.gz QQRDMAKNVKIMDU-UHFFFAOYSA-N 1 0 308.378 0.443 20 70 DCIDRO C[C@@H]1C[C@@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1C1CC1 ZINC000159527330 533615830 /nfs/dbraw/zinc/61/58/30/533615830.db2.gz UDNDMGDWUKPVQS-CHWSQXEVSA-N 1 0 311.426 0.700 20 70 DCIDRO COC(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159939075 396072135 /nfs/dbraw/zinc/07/21/35/396072135.db2.gz ZEQMDUHWLUGQFY-GFCCVEGCSA-N 1 0 312.391 0.831 20 70 DCIDRO CCNC(=O)N1CC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159992084 396072337 /nfs/dbraw/zinc/07/23/37/396072337.db2.gz QSZDNITXBMYULU-ZDUSSCGKSA-N 1 0 311.430 0.527 20 70 DCIDRO CCCNC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161328671 396076153 /nfs/dbraw/zinc/07/61/53/396076153.db2.gz GASYMANBRGTKGA-UHFFFAOYSA-N 1 0 305.382 0.439 20 70 DCIDRO COCC[N@H+](C)CCCNC(=O)NCc1ccccc1CO ZINC000161143591 396076346 /nfs/dbraw/zinc/07/63/46/396076346.db2.gz POZSMXWCTGDOIL-UHFFFAOYSA-N 1 0 309.410 0.946 20 70 DCIDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000160122107 158352457 /nfs/dbraw/zinc/35/24/57/158352457.db2.gz IQUYVKGCVUFQTP-CYBMUJFWSA-N 1 0 323.418 0.578 20 70 DCIDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000160121964 158352988 /nfs/dbraw/zinc/35/29/88/158352988.db2.gz IQUYVKGCVUFQTP-ZDUSSCGKSA-N 1 0 323.418 0.578 20 70 DCIDRO CC(C)Oc1cncc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000160390225 158354877 /nfs/dbraw/zinc/35/48/77/158354877.db2.gz UEFLYZYVZHVDJS-UHFFFAOYSA-N 1 0 306.410 0.846 20 70 DCIDRO CC(C)(C)CC(=O)NCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160725345 416010110 /nfs/dbraw/zinc/01/01/10/416010110.db2.gz DGWLWRVRNMQPAX-UHFFFAOYSA-N 1 0 313.442 0.359 20 70 DCIDRO Cc1cc(F)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000161446252 301297399 /nfs/dbraw/zinc/29/73/99/301297399.db2.gz WVZPKJSAYZGFPP-CYBMUJFWSA-N 1 0 322.377 0.864 20 70 DCIDRO CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160211825 521688414 /nfs/dbraw/zinc/68/84/14/521688414.db2.gz CKZJDIQSUXYKCO-CYBMUJFWSA-N 1 0 310.419 0.972 20 70 DCIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cccs1 ZINC000161408298 534866046 /nfs/dbraw/zinc/86/60/46/534866046.db2.gz YRTMMVODKGYTIW-UHFFFAOYSA-N 1 0 304.437 0.731 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)NCCCNC(=O)c1occc1C ZINC000161448212 525581361 /nfs/dbraw/zinc/58/13/61/525581361.db2.gz YTLQWAKJXQUXPX-NSHDSACASA-N 1 0 313.423 0.905 20 70 DCIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000159498542 525743935 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C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC000160801893 532967110 /nfs/dbraw/zinc/96/71/10/532967110.db2.gz ZLMKLEOIRAQOCY-GHMZBOCLSA-N 1 0 315.377 0.502 20 70 DCIDRO COC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000159449569 396068417 /nfs/dbraw/zinc/06/84/17/396068417.db2.gz CZTGYMHKJFQZCD-RYUDHWBXSA-N 1 0 313.423 0.211 20 70 DCIDRO CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161319315 396076418 /nfs/dbraw/zinc/07/64/18/396076418.db2.gz QXEDXYKKORCVNZ-GFCCVEGCSA-N 1 0 305.382 0.438 20 70 DCIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCn2cnnc2C1 ZINC000160892469 416009396 /nfs/dbraw/zinc/00/93/96/416009396.db2.gz KPJZYUHMFQXWBY-LBPRGKRZSA-N 1 0 304.398 0.820 20 70 DCIDRO CCOCCO[C@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160713299 416009830 /nfs/dbraw/zinc/00/98/30/416009830.db2.gz MACQZAZZSBKCEA-CYBMUJFWSA-N 1 0 302.415 0.249 20 70 DCIDRO CC(C)[C@@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000161352754 416013315 /nfs/dbraw/zinc/01/33/15/416013315.db2.gz GENNHZHWIJUMFH-LBPRGKRZSA-N 1 0 305.444 0.113 20 70 DCIDRO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1C ZINC000161431089 416013728 /nfs/dbraw/zinc/01/37/28/416013728.db2.gz JEBNSGQVFRVYSJ-AWEZNQCLSA-N 1 0 300.424 0.894 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1F ZINC000161431962 416014056 /nfs/dbraw/zinc/01/40/56/416014056.db2.gz JGUPNFGCQAQSAY-GFCCVEGCSA-N 1 0 308.350 0.556 20 70 DCIDRO CC(C)[C@H](C(=O)NCCC[NH3+])N1C(=O)c2ccccc2C1=O ZINC000160115049 280170431 /nfs/dbraw/zinc/17/04/31/280170431.db2.gz JKGXIUNXTMQGBV-CYBMUJFWSA-N 1 0 303.362 0.772 20 70 DCIDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCCOC[C@@H]1CCOC1 ZINC000160584996 295520056 /nfs/dbraw/zinc/52/00/56/295520056.db2.gz URQSRUDPPOHZQP-UONOGXRCSA-N 1 0 300.399 0.314 20 70 DCIDRO CCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159406636 521682529 /nfs/dbraw/zinc/68/25/29/521682529.db2.gz VUGXXOUHLGEKMF-UHFFFAOYSA-N 1 0 311.407 0.171 20 70 DCIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160719534 522370303 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O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000160389634 526691162 /nfs/dbraw/zinc/69/11/62/526691162.db2.gz XGHXRAUBFVECGJ-SNPRPXQTSA-N 1 0 320.364 0.970 20 70 DCIDRO O=C(Cc1cn2ccccc2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160396146 527321384 /nfs/dbraw/zinc/32/13/84/527321384.db2.gz ZTCFBOVCMVAJPH-OAHLLOKOSA-N 1 0 316.405 0.840 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000160236221 527362504 /nfs/dbraw/zinc/36/25/04/527362504.db2.gz HICOFTZQSNLBRT-CVEARBPZSA-N 1 0 303.406 0.837 20 70 DCIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000161501952 545866907 /nfs/dbraw/zinc/86/69/07/545866907.db2.gz KLSOJFCYLRKPFY-GJZGRUSLSA-N 1 0 310.442 0.981 20 70 DCIDRO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161399034 237093825 /nfs/dbraw/zinc/09/38/25/237093825.db2.gz MXXNJKUUIYQVOR-GFCCVEGCSA-N 1 0 317.393 0.553 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000160568968 532969313 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[NH3+]C[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000217536760 158614623 /nfs/dbraw/zinc/61/46/23/158614623.db2.gz KKAZKFKLEFDDPF-ZDUSSCGKSA-N 1 0 309.435 0.960 20 70 DCIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCOCC1 ZINC000161037959 416010472 /nfs/dbraw/zinc/01/04/72/416010472.db2.gz APCBVMYBROBXAW-LBPRGKRZSA-N 1 0 319.405 0.806 20 70 DCIDRO Cc1ccc(F)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161465165 416012196 /nfs/dbraw/zinc/01/21/96/416012196.db2.gz SCKFRMJCDJPDIM-ZDUSSCGKSA-N 1 0 304.387 0.725 20 70 DCIDRO Cc1ccc(OCCCNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000217297839 261152093 /nfs/dbraw/zinc/15/20/93/261152093.db2.gz VDCPOBCIQXVTDC-UHFFFAOYSA-N 1 0 320.437 0.968 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000161244509 277027169 /nfs/dbraw/zinc/02/71/69/277027169.db2.gz UNOKNABTEOFKGU-NSHDSACASA-N 1 0 308.382 0.061 20 70 DCIDRO CC(C)([NH3+])CNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000160054409 519300962 /nfs/dbraw/zinc/30/09/62/519300962.db2.gz FQJARXMGNYUOAZ-UHFFFAOYSA-N 1 0 321.425 0.799 20 70 DCIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000161479933 520676351 /nfs/dbraw/zinc/67/63/51/520676351.db2.gz BTUPWPRHZWRISZ-LBPRGKRZSA-N 1 0 324.429 0.380 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C1 ZINC000160812483 522391767 /nfs/dbraw/zinc/39/17/67/522391767.db2.gz QQSFCLCXQYVXKX-SNVBAGLBSA-N 1 0 315.395 0.272 20 70 DCIDRO COC(=O)CCCc1nnc(NC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000161214059 523053058 /nfs/dbraw/zinc/05/30/58/523053058.db2.gz BTDXDMIRTYCNBI-VIFPVBQESA-N 1 0 312.395 0.972 20 70 DCIDRO COCC[N@H+](C)CCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159800781 523586439 /nfs/dbraw/zinc/58/64/39/523586439.db2.gz VDRJUMIXCPLBHD-UHFFFAOYSA-N 1 0 317.393 0.965 20 70 DCIDRO C[NH+]1CCN(CCNC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000161143778 523903242 /nfs/dbraw/zinc/90/32/42/523903242.db2.gz BGXDARMHSQQBLB-ZDUSSCGKSA-N 1 0 324.450 0.972 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159556117 525583852 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Cn1c2cc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)ccc2[nH]c1=O ZINC000159583393 291235454 /nfs/dbraw/zinc/23/54/54/291235454.db2.gz DVLBKWGBEVGWDW-AWEZNQCLSA-N 1 0 302.378 0.937 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000159827219 396071809 /nfs/dbraw/zinc/07/18/09/396071809.db2.gz QQOCBMRATOIUIM-UHFFFAOYSA-N 1 0 310.398 0.263 20 70 DCIDRO C[C@@H](C(=O)N1CCC[C@H]1C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000160397509 396074256 /nfs/dbraw/zinc/07/42/56/396074256.db2.gz OBGDNFVQELPSPR-AAEUAGOBSA-N 1 0 300.366 0.851 20 70 DCIDRO CC(C)CNC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161328289 396076169 /nfs/dbraw/zinc/07/61/69/396076169.db2.gz XJENUFVYSLSLJM-UHFFFAOYSA-N 1 0 319.409 0.685 20 70 DCIDRO CC(C)([NH3+])CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000160015487 158352734 /nfs/dbraw/zinc/35/27/34/158352734.db2.gz WRAORLBOPWMXTL-UHFFFAOYSA-N 1 0 303.362 0.803 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000160525673 158354932 /nfs/dbraw/zinc/35/49/32/158354932.db2.gz WXKVDZOLZPLUJL-UHFFFAOYSA-N 1 0 312.414 0.731 20 70 DCIDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159542184 416007324 /nfs/dbraw/zinc/00/73/24/416007324.db2.gz HDSMOIRNVAXYGE-ZNMIVQPWSA-N 1 0 311.426 0.206 20 70 DCIDRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160286575 416008127 /nfs/dbraw/zinc/00/81/27/416008127.db2.gz HNRQVNLYWMRSIM-RWSFTLGLSA-N 1 0 308.382 0.047 20 70 DCIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161235628 416010663 /nfs/dbraw/zinc/01/06/63/416010663.db2.gz ICHTTZFEDVKVIC-CHWSQXEVSA-N 1 0 306.414 0.575 20 70 DCIDRO CC(C)[C@H](C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159375973 276014528 /nfs/dbraw/zinc/01/45/28/276014528.db2.gz XZZSVNDHBUBFNX-DZGCQCFKSA-N 1 0 324.469 0.561 20 70 DCIDRO CC(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n(C)c1 ZINC000160551276 518266841 /nfs/dbraw/zinc/26/68/41/518266841.db2.gz GNKHFLAZLJAOCH-CQSZACIVSA-N 1 0 307.394 0.804 20 70 DCIDRO CCC[N@@H+]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000160394296 519848532 /nfs/dbraw/zinc/84/85/32/519848532.db2.gz IXRRIPCQFISTQL-UHFFFAOYSA-N 1 0 310.398 0.261 20 70 DCIDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311427 520103866 /nfs/dbraw/zinc/10/38/66/520103866.db2.gz PKAVNGXIBNNQPO-AAEUAGOBSA-N 1 0 316.423 0.643 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000161434415 521884361 /nfs/dbraw/zinc/88/43/61/521884361.db2.gz NDAJJEDZMXXFSB-GFCCVEGCSA-N 1 0 308.350 0.556 20 70 DCIDRO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[NH3+])ccc1Cl ZINC000160003087 521972640 /nfs/dbraw/zinc/97/26/40/521972640.db2.gz ORSPQYSJSPFIEI-UHFFFAOYSA-N 1 0 319.814 0.669 20 70 DCIDRO C[N@@H+](CC(=O)NC(=O)NCc1ccco1)C[C@@H]1CCC[C@@H]1O ZINC000159852867 522454468 /nfs/dbraw/zinc/45/44/68/522454468.db2.gz LZHGCTZIORLQJN-AAEUAGOBSA-N 1 0 309.366 0.698 20 70 DCIDRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159530506 524014446 /nfs/dbraw/zinc/01/44/46/524014446.db2.gz PCRXUUSFZHMWGF-CABCVRRESA-N 1 0 303.406 0.802 20 70 DCIDRO Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000160912246 534752946 /nfs/dbraw/zinc/75/29/46/534752946.db2.gz UHNMRGNYOPDZMV-GFCCVEGCSA-N 1 0 324.381 0.491 20 70 DCIDRO Cc1conc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160124106 526296842 /nfs/dbraw/zinc/29/68/42/526296842.db2.gz DWURFYHQYNTIJM-RYUDHWBXSA-N 1 0 324.381 0.537 20 70 DCIDRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160230458 526438558 /nfs/dbraw/zinc/43/85/58/526438558.db2.gz IUXVYKJTMMNPBN-ZIAGYGMSSA-N 1 0 318.356 0.464 20 70 DCIDRO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161348445 545866158 /nfs/dbraw/zinc/86/61/58/545866158.db2.gz WWAAHPITJJFFSY-CHWSQXEVSA-N 1 0 317.455 0.434 20 70 DCIDRO CC(C)c1nc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH]1 ZINC000161428015 545866831 /nfs/dbraw/zinc/86/68/31/545866831.db2.gz QUDRBRQNHNAHJC-GFCCVEGCSA-N 1 0 304.416 0.124 20 70 DCIDRO C[NH+](C)Cc1ccc(C(=O)NCCCNS(C)(=O)=O)cc1 ZINC000159609765 291235309 /nfs/dbraw/zinc/23/53/09/291235309.db2.gz UYNRZEVWFRXTAS-UHFFFAOYSA-N 1 0 313.423 0.417 20 70 DCIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000159548313 291235446 /nfs/dbraw/zinc/23/54/46/291235446.db2.gz DNXMTLKMXRFORS-FRRDWIJNSA-N 1 0 308.378 0.644 20 70 DCIDRO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160241988 533652654 /nfs/dbraw/zinc/65/26/54/533652654.db2.gz HGXRKTXVKPPPGR-MNOVXSKESA-N 1 0 311.407 0.691 20 70 DCIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000159860019 396071284 /nfs/dbraw/zinc/07/12/84/396071284.db2.gz XQPYUXCUIITBLZ-OLZOCXBDSA-N 1 0 317.455 0.689 20 70 DCIDRO CC(C)[NH2+]CCC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159671262 396069680 /nfs/dbraw/zinc/06/96/80/396069680.db2.gz VCINLCDBEXQPIW-UHFFFAOYSA-N 1 0 305.444 0.210 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CCn1nnc2ccccc2c1=O ZINC000160431063 158353905 /nfs/dbraw/zinc/35/39/05/158353905.db2.gz CSDIRCDNQXDOOY-UHFFFAOYSA-N 1 0 317.393 0.815 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000160468498 158354106 /nfs/dbraw/zinc/35/41/06/158354106.db2.gz ZSLWJWRPCNEQSQ-UHFFFAOYSA-N 1 0 310.398 0.485 20 70 DCIDRO CCC[C@H](C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1)[NH+](C)C ZINC000160701995 158356093 /nfs/dbraw/zinc/35/60/93/158356093.db2.gz YYHYFMIOJNQLKS-CYBMUJFWSA-N 1 0 308.430 0.488 20 70 DCIDRO CC[C@@H](O)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160884502 416008456 /nfs/dbraw/zinc/00/84/56/416008456.db2.gz GFMCOFGBHIVPRV-HZSPNIEDSA-N 1 0 301.431 0.946 20 70 DCIDRO Cc1nn(C)c(C)c1CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160597400 416009738 /nfs/dbraw/zinc/00/97/38/416009738.db2.gz CMSBZHNSJGVNRJ-UHFFFAOYSA-N 1 0 322.453 0.790 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000159805760 279286658 /nfs/dbraw/zinc/28/66/58/279286658.db2.gz HZYJAQBIBHZVPJ-CYBMUJFWSA-N 1 0 306.414 0.639 20 70 DCIDRO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159697487 522456096 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C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000159751276 545860819 /nfs/dbraw/zinc/86/08/19/545860819.db2.gz RLWRCVBJMWEDKX-XUJVJEKNSA-N 1 0 322.430 0.907 20 70 DCIDRO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161330834 545866144 /nfs/dbraw/zinc/86/61/44/545866144.db2.gz PBQAJOSIZOLDFL-ZBFHGGJFSA-N 1 0 318.421 0.887 20 70 DCIDRO C[C@@H]1CN(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000161391357 545866772 /nfs/dbraw/zinc/86/67/72/545866772.db2.gz PRSASGZAORLCRZ-GASCZTMLSA-N 1 0 318.421 0.839 20 70 DCIDRO O=C(Cc1cn2ccsc2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160380287 237078816 /nfs/dbraw/zinc/07/88/16/237078816.db2.gz GRPBAGOLMSZXBA-CYBMUJFWSA-N 1 0 322.434 0.901 20 70 DCIDRO CN(C(=O)CSCC(=O)NCCC[NH3+])C1CCCCC1 ZINC000160092108 237081461 /nfs/dbraw/zinc/08/14/61/237081461.db2.gz MUOVOVZVWIIHLH-UHFFFAOYSA-N 1 0 301.456 0.976 20 70 DCIDRO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159445287 291234807 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CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161235505 416011616 /nfs/dbraw/zinc/01/16/16/416011616.db2.gz ICHTTZFEDVKVIC-OLZOCXBDSA-N 1 0 306.414 0.575 20 70 DCIDRO CCN(CCC[NH2+]C1CCC(NC(C)=O)CC1)S(C)(=O)=O ZINC000161334962 416012370 /nfs/dbraw/zinc/01/23/70/416012370.db2.gz DQQBDIAOZANNPK-UHFFFAOYSA-N 1 0 319.471 0.695 20 70 DCIDRO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160005070 533761846 /nfs/dbraw/zinc/76/18/46/533761846.db2.gz NRDYOJLTNWTJTL-QWHCGFSZSA-N 1 0 323.393 0.361 20 70 DCIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000160492305 520717028 /nfs/dbraw/zinc/71/70/28/520717028.db2.gz WRKJWDGDCMZSNA-KGLIPLIRSA-N 1 0 306.362 0.844 20 70 DCIDRO COC(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000160537083 521963057 /nfs/dbraw/zinc/96/30/57/521963057.db2.gz RLTSNSVSILCETN-LLVKDONJSA-N 1 0 310.350 0.643 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000160721561 522392919 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DCIDRO Cc1conc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161340089 526296596 /nfs/dbraw/zinc/29/65/96/526296596.db2.gz PSMDDIJCPCRRJK-GFCCVEGCSA-N 1 0 306.366 0.866 20 70 DCIDRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000160396516 526924305 /nfs/dbraw/zinc/92/43/05/526924305.db2.gz RVMACTPNFPSLDB-XQQFMLRXSA-N 1 0 323.780 0.284 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000160236089 527363047 /nfs/dbraw/zinc/36/30/47/527363047.db2.gz HICOFTZQSNLBRT-HZPDHXFCSA-N 1 0 303.406 0.837 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000161354562 545866081 /nfs/dbraw/zinc/86/60/81/545866081.db2.gz PJNXVUSYTOLWCM-WDEREUQCSA-N 1 0 301.350 0.178 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000161409738 545866678 /nfs/dbraw/zinc/86/66/78/545866678.db2.gz WSCKFHAJIIXCJZ-GJZGRUSLSA-N 1 0 317.437 0.590 20 70 DCIDRO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)C(=O)OC ZINC000159604979 291235212 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CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)ccc21 ZINC000160131725 416006977 /nfs/dbraw/zinc/00/69/77/416006977.db2.gz ZESUKFWYXVOTOM-CYBMUJFWSA-N 1 0 323.418 0.707 20 70 DCIDRO CN(CC(=O)NCC1CC[NH+](CCO)CC1)Cc1ccccc1 ZINC000160614953 416009283 /nfs/dbraw/zinc/00/92/83/416009283.db2.gz MMWBULAUFNIAEC-UHFFFAOYSA-N 1 0 319.449 0.939 20 70 DCIDRO CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CCCC1 ZINC000161413818 521452000 /nfs/dbraw/zinc/45/20/00/521452000.db2.gz HOCUXCAODMGOSO-UHFFFAOYSA-N 1 0 305.382 0.725 20 70 DCIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000160462879 522068510 /nfs/dbraw/zinc/06/85/10/522068510.db2.gz PQDOOYNFSZOJMG-JQWIXIFHSA-N 1 0 303.362 0.686 20 70 DCIDRO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160286996 523393514 /nfs/dbraw/zinc/39/35/14/523393514.db2.gz NSWKNNKKHUYPGU-BZDIYLISSA-N 1 0 317.389 0.773 20 70 DCIDRO COC(=O)[C@H](c1cccnc1)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000159908552 523940482 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C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865299 396071459 /nfs/dbraw/zinc/07/14/59/396071459.db2.gz VKLJUNJTVLGUEJ-AGIUHOORSA-N 1 0 317.455 0.736 20 70 DCIDRO CC1=C(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000159804684 396071604 /nfs/dbraw/zinc/07/16/04/396071604.db2.gz DGBODVAATWOUIT-OAHLLOKOSA-N 1 0 321.421 0.836 20 70 DCIDRO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159966985 396072562 /nfs/dbraw/zinc/07/25/62/396072562.db2.gz ATVDZNJTTXIOGE-STQMWFEESA-N 1 0 317.455 0.689 20 70 DCIDRO CSC[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160681694 396074962 /nfs/dbraw/zinc/07/49/62/396074962.db2.gz QOHGZVOYFGZPOB-OCCSQVGLSA-N 1 0 301.456 0.884 20 70 DCIDRO CSCC[C@H]([NH3+])C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160046806 158352757 /nfs/dbraw/zinc/35/27/57/158352757.db2.gz FOSWOLOOMKLYTR-NSHDSACASA-N 1 0 301.456 0.832 20 70 DCIDRO O=C(COc1ccccc1)NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159386195 158352831 /nfs/dbraw/zinc/35/28/31/158352831.db2.gz BPIWKMHHNMWCCZ-QGZVFWFLSA-N 1 0 317.389 0.394 20 70 DCIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc3nnnn3n2)C[C@@H](C)O1 ZINC000160468451 158354035 /nfs/dbraw/zinc/35/40/35/158354035.db2.gz QYGSNYGMFPPQGQ-UPJWGTAASA-N 1 0 317.397 0.597 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000160527761 158354290 /nfs/dbraw/zinc/35/42/90/158354290.db2.gz OMQJQCGSOCVCGA-UHFFFAOYSA-N 1 0 302.382 0.839 20 70 DCIDRO Cn1cnc2cc(C(=O)NCC3CC[NH+](CCO)CC3)cnc21 ZINC000160837340 158356301 /nfs/dbraw/zinc/35/63/01/158356301.db2.gz WUVGOGUGKNQHQF-UHFFFAOYSA-N 1 0 317.393 0.402 20 70 DCIDRO CC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000161461897 158357226 /nfs/dbraw/zinc/35/72/26/158357226.db2.gz XYCSNSSVOIVRFQ-CQSZACIVSA-N 1 0 314.407 0.480 20 70 DCIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160562667 416008910 /nfs/dbraw/zinc/00/89/10/416008910.db2.gz HURQIXVMYMOENC-GFCCVEGCSA-N 1 0 323.393 0.218 20 70 DCIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)N1CCc2ccccc2C1 ZINC000159956653 277001931 /nfs/dbraw/zinc/00/19/31/277001931.db2.gz QAQYROZCWNVEKE-OAHLLOKOSA-N 1 0 309.435 0.959 20 70 DCIDRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000161436794 288480540 /nfs/dbraw/zinc/48/05/40/288480540.db2.gz GKWQEOMBNVAKGT-UPJWGTAASA-N 1 0 307.460 0.111 20 70 DCIDRO C[C@@H]1C[C@H](NC(=O)NCC2(CO)CCOCC2)C[N@@H+]1C1CC1 ZINC000159527114 533926604 /nfs/dbraw/zinc/92/66/04/533926604.db2.gz UDNDMGDWUKPVQS-OLZOCXBDSA-N 1 0 311.426 0.700 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(F)c1F ZINC000161506613 521855454 /nfs/dbraw/zinc/85/54/54/521855454.db2.gz KFHBQOXRGBPYSA-LBPRGKRZSA-N 1 0 308.350 0.556 20 70 DCIDRO COc1ccc(C(=O)NCCNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161361713 523699632 /nfs/dbraw/zinc/69/96/32/523699632.db2.gz VCUVHANTUWAMAD-KRWDZBQOSA-N 1 0 319.405 0.931 20 70 DCIDRO C[C@H](CNC(=O)c1cccc2[nH]cnc21)N1CC[NH+](C)CC1 ZINC000159524463 524468202 /nfs/dbraw/zinc/46/82/02/524468202.db2.gz PYZNNBZXFOMHMP-GFCCVEGCSA-N 1 0 301.394 0.929 20 70 DCIDRO C[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488188 524821194 /nfs/dbraw/zinc/82/11/94/524821194.db2.gz ABTFNAGQBCYXOJ-XVKPBYJWSA-N 1 0 300.742 0.608 20 70 DCIDRO CC(C)Cn1cnc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161487115 528740000 /nfs/dbraw/zinc/74/00/00/528740000.db2.gz WIWVMLYKMFILMD-CYBMUJFWSA-N 1 0 318.443 0.130 20 70 DCIDRO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160049662 528850838 /nfs/dbraw/zinc/85/08/38/528850838.db2.gz WHRNFQHKZPPFRV-CHWSQXEVSA-N 1 0 314.430 0.177 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C2=O ZINC000161364545 545866104 /nfs/dbraw/zinc/86/61/04/545866104.db2.gz VTESGMDOONFNTA-NWDGAFQWSA-N 1 0 315.373 0.977 20 70 DCIDRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000160106883 237082312 /nfs/dbraw/zinc/08/23/12/237082312.db2.gz KZNFAIBYSPMZTJ-LBPRGKRZSA-N 1 0 314.407 0.892 20 70 DCIDRO Cc1ccccc1CS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161441059 237095327 /nfs/dbraw/zinc/09/53/27/237095327.db2.gz YHNUUEFVLZUNEK-CQSZACIVSA-N 1 0 300.424 0.727 20 70 DCIDRO C[NH+]1CCN(CCCNC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000160194586 291237631 /nfs/dbraw/zinc/23/76/31/291237631.db2.gz FRNMYZXTAJLAHJ-UHFFFAOYSA-N 1 0 324.469 0.579 20 70 DCIDRO COCC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160392977 291238615 /nfs/dbraw/zinc/23/86/15/291238615.db2.gz UKKHATUAYRYHID-UHFFFAOYSA-N 1 0 319.405 0.679 20 70 DCIDRO CCSCC[NH+]1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000160588265 291239281 /nfs/dbraw/zinc/23/92/81/291239281.db2.gz XGPSXBPLOIWZEE-AWEZNQCLSA-N 1 0 317.499 0.898 20 70 DCIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)C(=O)C1 ZINC000160906319 291240172 /nfs/dbraw/zinc/24/01/72/291240172.db2.gz QRAVUVQRHFIYCK-CQSZACIVSA-N 1 0 310.442 0.981 20 70 DCIDRO CCOCCN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160750182 396074993 /nfs/dbraw/zinc/07/49/93/396074993.db2.gz KLLYAKHRVSXTEZ-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/22/67/76/526226776.db2.gz QQOIBLUYAUOUHI-HNNXBMFYSA-N 1 0 319.453 0.868 20 70 DCIDRO [NH3+]CCCNC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000160112316 527180451 /nfs/dbraw/zinc/18/04/51/527180451.db2.gz WZWBAJHKDXSKHR-UHFFFAOYSA-N 1 0 300.318 0.608 20 70 DCIDRO CCN(C1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1)S(C)(=O)=O ZINC000159531502 291235243 /nfs/dbraw/zinc/23/52/43/291235243.db2.gz DQEWQGMPQXKHCF-GFCCVEGCSA-N 1 0 305.444 0.242 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(C(=O)OC)CC2)CC1 ZINC000159751773 291236451 /nfs/dbraw/zinc/23/64/51/291236451.db2.gz DMRFXTFEWXUGMV-UHFFFAOYSA-N 1 0 312.414 0.954 20 70 DCIDRO C[NH+]1CCN(CCNC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161146924 291240580 /nfs/dbraw/zinc/24/05/80/291240580.db2.gz JWTATWGVTXFQDF-UHFFFAOYSA-N 1 0 310.442 0.189 20 70 DCIDRO CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000161382617 291241782 /nfs/dbraw/zinc/24/17/82/291241782.db2.gz WNCNHFHQOKZOCI-VBROQKIQSA-N 1 0 302.378 0.665 20 70 DCIDRO CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[NH+]1CCCCC1 ZINC000161235938 291240855 /nfs/dbraw/zinc/24/08/55/291240855.db2.gz PSIXVJMMNRDNJM-MGPQQGTHSA-N 1 0 311.426 0.646 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000160499926 533037961 /nfs/dbraw/zinc/03/79/61/533037961.db2.gz XNAYIKRPCLSDJO-LBPRGKRZSA-N 1 0 302.378 0.959 20 70 DCIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCN1C(=O)CCC1=O ZINC000159922485 396072610 /nfs/dbraw/zinc/07/26/10/396072610.db2.gz OEIWXIMUCDODNS-LBPRGKRZSA-N 1 0 310.398 0.117 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000159692829 396070602 /nfs/dbraw/zinc/07/06/02/396070602.db2.gz FPMCWSFQLRDPRL-UHFFFAOYSA-N 1 0 306.414 0.852 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000161165603 545865268 /nfs/dbraw/zinc/86/52/68/545865268.db2.gz LTTVZGMARRUUPY-GHMZBOCLSA-N 1 0 308.382 0.237 20 70 DCIDRO COc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000160051434 286286277 /nfs/dbraw/zinc/28/62/77/286286277.db2.gz LASZEUFXZVPVBX-CQSZACIVSA-N 1 0 321.425 0.487 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000160047032 158352636 /nfs/dbraw/zinc/35/26/36/158352636.db2.gz QIULXSUBUDXRIB-UKRRQHHQSA-N 1 0 313.442 0.900 20 70 DCIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000160463778 158354471 /nfs/dbraw/zinc/35/44/71/158354471.db2.gz PYULJSMPPCXRNB-JSGCOSHPSA-N 1 0 315.373 0.972 20 70 DCIDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962641 158355333 /nfs/dbraw/zinc/35/53/33/158355333.db2.gz RWJHXDHSRDBEFT-XQQFMLRXSA-N 1 0 302.440 0.943 20 70 DCIDRO CCc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000161480069 158357015 /nfs/dbraw/zinc/35/70/15/158357015.db2.gz IBFHKNHGJWEJQI-AWEZNQCLSA-N 1 0 300.424 0.840 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000161345200 158357545 /nfs/dbraw/zinc/35/75/45/158357545.db2.gz JLRKKVNDYXMTOW-STQMWFEESA-N 1 0 307.398 0.113 20 70 DCIDRO COC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161040089 416011187 /nfs/dbraw/zinc/01/11/87/416011187.db2.gz RPDFODIEVLZFPQ-AWEZNQCLSA-N 1 0 305.378 0.416 20 70 DCIDRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000161218428 280112473 /nfs/dbraw/zinc/11/24/73/280112473.db2.gz FJWAPBJWCPJMGT-OBJOEFQTSA-N 1 0 310.419 0.590 20 70 DCIDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160962892 288815337 /nfs/dbraw/zinc/81/53/37/288815337.db2.gz RWJHXDHSRDBEFT-YNEHKIRRSA-N 1 0 302.440 0.943 20 70 DCIDRO CC(C)n1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000161428272 519969820 /nfs/dbraw/zinc/96/98/20/519969820.db2.gz RBKKFBYEMVLZIG-GFCCVEGCSA-N 1 0 304.416 0.055 20 70 DCIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160979129 522068283 /nfs/dbraw/zinc/06/82/83/522068283.db2.gz CZJLBORJXZPBCS-UONOGXRCSA-N 1 0 319.405 0.638 20 70 DCIDRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1 ZINC000160102451 523603096 /nfs/dbraw/zinc/60/30/96/523603096.db2.gz AIGXQJRVTLVMEV-UHFFFAOYSA-N 1 0 321.425 0.583 20 70 DCIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(N)=O ZINC000159540551 524633143 /nfs/dbraw/zinc/63/31/43/524633143.db2.gz YEVJSCVFWCOHHR-JSGCOSHPSA-N 1 0 304.394 0.682 20 70 DCIDRO C[C@@H](CNC(=O)C1(NC(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000159774179 524643779 /nfs/dbraw/zinc/64/37/79/524643779.db2.gz JFQKJUNKXJKMCW-LBPRGKRZSA-N 1 0 316.405 0.750 20 70 DCIDRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC[NH2+]CC1 ZINC000159448538 526465718 /nfs/dbraw/zinc/46/57/18/526465718.db2.gz XRECYBFRQLAMKB-UHFFFAOYSA-N 1 0 300.362 0.678 20 70 DCIDRO [NH3+]C1(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160430508 527128026 /nfs/dbraw/zinc/12/80/26/527128026.db2.gz QSCSEYQOXKPEIJ-SNVBAGLBSA-N 1 0 312.753 0.752 20 70 DCIDRO [NH3+]CCCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000160044391 527180613 /nfs/dbraw/zinc/18/06/13/527180613.db2.gz JNHOIUCBUMFHPG-UHFFFAOYSA-N 1 0 314.183 0.644 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C2=O ZINC000161364670 545866463 /nfs/dbraw/zinc/86/64/63/545866463.db2.gz VTESGMDOONFNTA-RYUDHWBXSA-N 1 0 315.373 0.977 20 70 DCIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000159899434 291237019 /nfs/dbraw/zinc/23/70/19/291237019.db2.gz GFJRDTGCIMQRHM-SNVBAGLBSA-N 1 0 315.395 0.531 20 70 DCIDRO CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160207991 291237766 /nfs/dbraw/zinc/23/77/66/291237766.db2.gz XKAUDSBCDGZAMU-OQHXTRMZSA-N 1 0 323.418 0.510 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C1 ZINC000160591097 532966638 /nfs/dbraw/zinc/96/66/38/532966638.db2.gz OQUAPQBMJYDKID-OCCSQVGLSA-N 1 0 304.394 0.656 20 70 DCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cn2cccnc2n1 ZINC000159963725 396072395 /nfs/dbraw/zinc/07/23/95/396072395.db2.gz FGHBQSZAMSDEFO-GFCCVEGCSA-N 1 0 303.366 0.306 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C1 ZINC000160542836 396074453 /nfs/dbraw/zinc/07/44/53/396074453.db2.gz SYJMXYHSNRXMQG-JTQLQIEISA-N 1 0 317.389 0.964 20 70 DCIDRO COCc1nc(C(=O)NCC2CC[NH+](CCO)CC2)cs1 ZINC000160615085 416009989 /nfs/dbraw/zinc/00/99/89/416009989.db2.gz ONJCHWVKRDYBGY-UHFFFAOYSA-N 1 0 313.423 0.724 20 70 DCIDRO COc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000217313423 261152110 /nfs/dbraw/zinc/15/21/10/261152110.db2.gz KJVMEZUTOISSFO-UHFFFAOYSA-N 1 0 322.409 0.408 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000161235952 277276756 /nfs/dbraw/zinc/27/67/56/277276756.db2.gz CYYHPCYEYXJTKY-ZDUSSCGKSA-N 1 0 305.378 0.765 20 70 DCIDRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159484233 278121121 /nfs/dbraw/zinc/12/11/21/278121121.db2.gz YWOAUUBLOYQROD-HNNXBMFYSA-N 1 0 322.409 0.485 20 70 DCIDRO CC(C)[C@@H](C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)[NH+](C)C ZINC000159515327 279790204 /nfs/dbraw/zinc/79/02/04/279790204.db2.gz VHVXNBLVZVJDGQ-AGIUHOORSA-N 1 0 319.471 0.407 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH2+]C)C2)ccc1F ZINC000160587716 522504400 /nfs/dbraw/zinc/50/44/00/522504400.db2.gz RIIVVEGHAZIUHJ-JTQLQIEISA-N 1 0 315.370 0.168 20 70 DCIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000161041804 522806991 /nfs/dbraw/zinc/80/69/91/522806991.db2.gz KPERXPMVONHZSJ-CHWSQXEVSA-N 1 0 306.362 0.799 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)CCc2cnn(C)c2C)CC1 ZINC000160299665 523811692 /nfs/dbraw/zinc/81/16/92/523811692.db2.gz OSRYAJABTHSWJP-UHFFFAOYSA-N 1 0 308.426 0.888 20 70 DCIDRO C[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488307 524821836 /nfs/dbraw/zinc/82/18/36/524821836.db2.gz ABTFNAGQBCYXOJ-OIBJUYFYSA-N 1 0 300.742 0.608 20 70 DCIDRO COc1ccsc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161471735 524884571 /nfs/dbraw/zinc/88/45/71/524884571.db2.gz RLQLCBLYLVJJEZ-NSHDSACASA-N 1 0 308.425 0.348 20 70 DCIDRO O=C(CNC(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160382594 526863921 /nfs/dbraw/zinc/86/39/21/526863921.db2.gz ZXWJMEUFEUCMRA-OAHLLOKOSA-N 1 0 319.405 0.379 20 70 DCIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000159657553 528895122 /nfs/dbraw/zinc/89/51/22/528895122.db2.gz ZLHKYLHNTIXDBA-NWDGAFQWSA-N 1 0 300.403 0.001 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000160468357 528947173 /nfs/dbraw/zinc/94/71/73/528947173.db2.gz VUUYSOJJNSBYCQ-UHFFFAOYSA-N 1 0 313.423 0.842 20 70 DCIDRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000159751510 545860797 /nfs/dbraw/zinc/86/07/97/545860797.db2.gz RLWRCVBJMWEDKX-JMSVASOKSA-N 1 0 322.430 0.907 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000160489731 545862887 /nfs/dbraw/zinc/86/28/87/545862887.db2.gz QBTVHBXEDCYMEQ-NSHDSACASA-N 1 0 305.444 0.434 20 70 DCIDRO C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161331028 545866473 /nfs/dbraw/zinc/86/64/73/545866473.db2.gz PBQAJOSIZOLDFL-GDBMZVCRSA-N 1 0 318.421 0.887 20 70 DCIDRO C[C@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCN(C)CC1 ZINC000159673437 291235748 /nfs/dbraw/zinc/23/57/48/291235748.db2.gz GDWBOTVJRHMFJU-CYBMUJFWSA-N 1 0 323.416 0.903 20 70 DCIDRO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[N@@H+](CC)CC1)CC2 ZINC000159865229 396071050 /nfs/dbraw/zinc/07/10/50/396071050.db2.gz PCJBAGZNGAQATG-ZDUSSCGKSA-N 1 0 320.441 0.893 20 70 DCIDRO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000159431411 396068918 /nfs/dbraw/zinc/06/89/18/396068918.db2.gz UOADOSBJVQDAHE-LLVKDONJSA-N 1 0 315.395 0.158 20 70 DCIDRO CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH+]1CCC(C)CC1 ZINC000160003306 158352594 /nfs/dbraw/zinc/35/25/94/158352594.db2.gz WUZLEVRZQJKUIL-STQMWFEESA-N 1 0 324.425 0.457 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000160046622 158352959 /nfs/dbraw/zinc/35/29/59/158352959.db2.gz QIULXSUBUDXRIB-ZFWWWQNUSA-N 1 0 313.442 0.900 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000161171732 158356141 /nfs/dbraw/zinc/35/61/41/158356141.db2.gz KBIOIRQVBQNDHY-UHFFFAOYSA-N 1 0 305.444 0.245 20 70 DCIDRO CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160949634 158356371 /nfs/dbraw/zinc/35/63/71/158356371.db2.gz NPIWRBCPFJPKLY-GFCCVEGCSA-N 1 0 311.407 0.674 20 70 DCIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000161129122 416010839 /nfs/dbraw/zinc/01/08/39/416010839.db2.gz POPISRHTQMLENT-GFCCVEGCSA-N 1 0 324.381 0.131 20 70 DCIDRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161284279 416011075 /nfs/dbraw/zinc/01/10/75/416011075.db2.gz XAGMRDDOCQYMIF-UHFFFAOYSA-N 1 0 319.471 0.695 20 70 DCIDRO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000159641073 521368079 /nfs/dbraw/zinc/36/80/79/521368079.db2.gz LOOLAXLXIYGGSK-SNVBAGLBSA-N 1 0 315.395 0.530 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C[NH+](C)C)co1 ZINC000160334437 522260499 /nfs/dbraw/zinc/26/04/99/522260499.db2.gz XFGVAJRBOCKENJ-UHFFFAOYSA-N 1 0 317.411 0.505 20 70 DCIDRO COCC[N@H+](C)CCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160472076 523601476 /nfs/dbraw/zinc/60/14/76/523601476.db2.gz SQBBRJVPUPRJQL-UHFFFAOYSA-N 1 0 324.425 0.851 20 70 DCIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000159922141 523624278 /nfs/dbraw/zinc/62/42/78/523624278.db2.gz FENXDRGEUOYHBZ-LBPRGKRZSA-N 1 0 312.391 0.816 20 70 DCIDRO Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000160912107 534752960 /nfs/dbraw/zinc/75/29/60/534752960.db2.gz UHNMRGNYOPDZMV-LBPRGKRZSA-N 1 0 324.381 0.491 20 70 DCIDRO C[C@]1(C(=O)NCCCN2C(=O)COc3ccccc32)CC[NH2+]C1 ZINC000160671133 525203652 /nfs/dbraw/zinc/20/36/52/525203652.db2.gz ZWVLKOKJDGTYAH-KRWDZBQOSA-N 1 0 317.389 0.918 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000160262432 527234207 /nfs/dbraw/zinc/23/42/07/527234207.db2.gz IVACVPXUZPDENM-ZIAGYGMSSA-N 1 0 315.373 0.455 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000161165503 545865316 /nfs/dbraw/zinc/86/53/16/545865316.db2.gz LTTVZGMARRUUPY-QWRGUYRKSA-N 1 0 308.382 0.237 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000161165712 545865329 /nfs/dbraw/zinc/86/53/29/545865329.db2.gz LTTVZGMARRUUPY-MNOVXSKESA-N 1 0 308.382 0.237 20 70 DCIDRO CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159863046 530034076 /nfs/dbraw/zinc/03/40/76/530034076.db2.gz MYAGPKXRENGHBJ-BETUJISGSA-N 1 0 323.418 0.561 20 70 DCIDRO C[C@@H](C(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1cccn1 ZINC000160402393 237080247 /nfs/dbraw/zinc/08/02/47/237080247.db2.gz KXFWPMUJNKAOJE-MELADBBJSA-N 1 0 319.409 0.255 20 70 DCIDRO C[C@H](C(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1cccn1 ZINC000160402518 237080700 /nfs/dbraw/zinc/08/07/00/237080700.db2.gz KXFWPMUJNKAOJE-MCIONIFRSA-N 1 0 319.409 0.255 20 70 DCIDRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962112 237091784 /nfs/dbraw/zinc/09/17/84/237091784.db2.gz WWMZGQPNYOLVKB-UPJWGTAASA-N 1 0 318.439 0.179 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)C1 ZINC000160231965 291237581 /nfs/dbraw/zinc/23/75/81/291237581.db2.gz LGERAXVBEOCBSD-RKDXNWHRSA-N 1 0 309.288 0.709 20 70 DCIDRO COCCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804922 285043694 /nfs/dbraw/zinc/04/36/94/285043694.db2.gz ONJYJPJZHMGWNV-HNNXBMFYSA-N 1 0 324.469 0.977 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000160569109 533038027 /nfs/dbraw/zinc/03/80/27/533038027.db2.gz JLPRCMVDLMSJLE-ZDUSSCGKSA-N 1 0 323.418 0.443 20 70 DCIDRO CC[C@H]1CN(Cc2nsc(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000159913723 416007806 /nfs/dbraw/zinc/00/78/06/416007806.db2.gz LCKAJTNTIKRUOK-NEPJUHHUSA-N 1 0 313.471 0.881 20 70 DCIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@H]1CCOC1 ZINC000161014533 416011170 /nfs/dbraw/zinc/01/11/70/416011170.db2.gz KOMFAFWSEAJDHY-GJZGRUSLSA-N 1 0 319.405 0.806 20 70 DCIDRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1C ZINC000161421217 416013330 /nfs/dbraw/zinc/01/33/30/416013330.db2.gz NMTXIQQWSNAGDF-AWEZNQCLSA-N 1 0 316.423 0.595 20 70 DCIDRO COc1ccc(CCNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000217510530 261152158 /nfs/dbraw/zinc/15/21/58/261152158.db2.gz BNEOZMHMEQSFEK-UHFFFAOYSA-N 1 0 306.410 0.442 20 70 DCIDRO COc1cc(NC(=O)NCCN2CC[NH2+]CC2)cc(OC)c1 ZINC000217273867 261152364 /nfs/dbraw/zinc/15/23/64/261152364.db2.gz AINMXPWZKWZLRT-UHFFFAOYSA-N 1 0 308.382 0.731 20 70 DCIDRO COC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159961796 522247944 /nfs/dbraw/zinc/24/79/44/522247944.db2.gz SPTBNPVMKLTHHF-ZDUSSCGKSA-N 1 0 312.391 0.831 20 70 DCIDRO COC[C@@H](O)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159944008 522411809 /nfs/dbraw/zinc/41/18/09/522411809.db2.gz OHIWVMPHWWVIET-BPUTZDHNSA-N 1 0 321.421 0.813 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1 ZINC000160490380 522500449 /nfs/dbraw/zinc/50/04/49/522500449.db2.gz BEORKSMNRUDVLU-GJZGRUSLSA-N 1 0 316.405 0.754 20 70 DCIDRO Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1F ZINC000161508373 525411584 /nfs/dbraw/zinc/41/15/84/525411584.db2.gz GCALTZCRPWLVFX-CYBMUJFWSA-N 1 0 304.387 0.725 20 70 DCIDRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH3+] ZINC000160020695 525579414 /nfs/dbraw/zinc/57/94/14/525579414.db2.gz BTZOPTUINXLXJD-MRVPVSSYSA-N 1 0 305.425 0.268 20 70 DCIDRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159691845 525955484 /nfs/dbraw/zinc/95/54/84/525955484.db2.gz NQQMEGOEOAJNJO-XBFCOCLRSA-N 1 0 311.426 0.192 20 70 DCIDRO CC(C)(C(N)=O)c1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000160381505 527544863 /nfs/dbraw/zinc/54/48/63/527544863.db2.gz RNMHNUJGZOJOSG-CYBMUJFWSA-N 1 0 305.378 0.767 20 70 DCIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000161409604 545866064 /nfs/dbraw/zinc/86/60/64/545866064.db2.gz WSCKFHAJIIXCJZ-LSDHHAIUSA-N 1 0 317.437 0.590 20 70 DCIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400545 718844092 /nfs/dbraw/zinc/84/40/92/718844092.db2.gz ZKEZTLKFBVUVEA-LLVKDONJSA-N 1 0 314.386 0.142 20 70 DCIDRO NS(=O)(=O)NC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161011195 237091860 /nfs/dbraw/zinc/09/18/60/237091860.db2.gz RSPNNEVKTDKCIQ-CQSZACIVSA-N 1 0 318.487 0.368 20 70 DCIDRO C[C@H]1CCCN(S(=O)(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000161419429 237095273 /nfs/dbraw/zinc/09/52/73/237095273.db2.gz AAQXIWYGCJYBOB-ZDUSSCGKSA-N 1 0 319.471 0.257 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1cccc(F)c1 ZINC000161411074 237095596 /nfs/dbraw/zinc/09/55/96/237095596.db2.gz ADOARXXQBGICTL-ZDUSSCGKSA-N 1 0 304.387 0.558 20 70 DCIDRO CCC[C@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC000159896152 291237033 /nfs/dbraw/zinc/23/70/33/291237033.db2.gz IZZZMKPYXGLBRQ-ZDUSSCGKSA-N 1 0 314.430 0.217 20 70 DCIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000159547993 396069861 /nfs/dbraw/zinc/06/98/61/396069861.db2.gz FWHWOMVGSPSOLU-OLZOCXBDSA-N 1 0 322.405 0.818 20 70 DCIDRO O=S(=O)(N1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160147572 158352738 /nfs/dbraw/zinc/35/27/38/158352738.db2.gz OOPNLJUDABTHKN-AWEZNQCLSA-N 1 0 317.455 0.514 20 70 DCIDRO CNC(=O)C1(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000159569123 158352779 /nfs/dbraw/zinc/35/27/79/158352779.db2.gz KXDPBNLDYSXVJY-CQSZACIVSA-N 1 0 323.437 0.616 20 70 DCIDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160569342 416008672 /nfs/dbraw/zinc/00/86/72/416008672.db2.gz IUHOCOKCZIQPLY-GFCCVEGCSA-N 1 0 313.442 0.358 20 70 DCIDRO O=C(CNC(=O)OCC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159746210 303625646 /nfs/dbraw/zinc/62/56/46/303625646.db2.gz SIXMDLNLUYOQJR-DTORHVGOSA-N 1 0 309.288 0.628 20 70 DCIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000160492053 520717078 /nfs/dbraw/zinc/71/70/78/520717078.db2.gz WRKJWDGDCMZSNA-KBPBESRZSA-N 1 0 306.362 0.844 20 70 DCIDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCCOC[C@H]1CCOC1 ZINC000160585330 534592641 /nfs/dbraw/zinc/59/26/41/534592641.db2.gz URQSRUDPPOHZQP-KGLIPLIRSA-N 1 0 300.399 0.314 20 70 DCIDRO C[NH+](C)[C@@H](CNC(=O)NCC1(CO)COC1)c1cccs1 ZINC000160940190 522017198 /nfs/dbraw/zinc/01/71/98/522017198.db2.gz IEBSQWBZQLXIQW-NSHDSACASA-N 1 0 313.423 0.659 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000160639512 522390243 /nfs/dbraw/zinc/39/02/43/522390243.db2.gz FQFONIQRSWFBHO-GFCCVEGCSA-N 1 0 302.378 0.550 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C1 ZINC000160490077 522392532 /nfs/dbraw/zinc/39/25/32/522392532.db2.gz BEORKSMNRUDVLU-HUUCEWRRSA-N 1 0 316.405 0.754 20 70 DCIDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000160397349 525971898 /nfs/dbraw/zinc/97/18/98/525971898.db2.gz OBGDNFVQELPSPR-DGCLKSJQSA-N 1 0 300.366 0.851 20 70 DCIDRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159936994 526436179 /nfs/dbraw/zinc/43/61/79/526436179.db2.gz KVIXZVTXWPEJCS-ZDUSSCGKSA-N 1 0 320.372 0.758 20 70 DCIDRO Cn1cc(N2CCN(CCC[NH+]3CCCCC3)CC2=O)cn1 ZINC000161398694 527250992 /nfs/dbraw/zinc/25/09/92/527250992.db2.gz NZVAAUIYFOIMEO-UHFFFAOYSA-N 1 0 305.426 0.945 20 70 DCIDRO CC(C)OCCS(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161397329 527990037 /nfs/dbraw/zinc/99/00/37/527990037.db2.gz LBAPQRNAYJCTTI-UHFFFAOYSA-N 1 0 308.444 0.035 20 70 DCIDRO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160569374 528808835 /nfs/dbraw/zinc/80/88/35/528808835.db2.gz HQASORXIQRIZAX-RYUDHWBXSA-N 1 0 303.428 0.011 20 70 DCIDRO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161350112 545865778 /nfs/dbraw/zinc/86/57/78/545865778.db2.gz LRMWVKIKPFGLRX-NXEZZACHSA-N 1 0 304.350 0.835 20 70 DCIDRO CCC(=O)N1CC[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000160378462 291238260 /nfs/dbraw/zinc/23/82/60/291238260.db2.gz YIFHVWMZYUIKTP-CYBMUJFWSA-N 1 0 311.426 0.472 20 70 DCIDRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160286454 296361855 /nfs/dbraw/zinc/36/18/55/296361855.db2.gz HNRQVNLYWMRSIM-HFAKWTLXSA-N 1 0 308.382 0.047 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C1 ZINC000160590889 533036942 /nfs/dbraw/zinc/03/69/42/533036942.db2.gz OQUAPQBMJYDKID-JSGCOSHPSA-N 1 0 304.394 0.656 20 70 DCIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000159860164 396071626 /nfs/dbraw/zinc/07/16/26/396071626.db2.gz XQPYUXCUIITBLZ-STQMWFEESA-N 1 0 317.455 0.689 20 70 DCIDRO CCN(C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)S(C)(=O)=O ZINC000159531638 396068396 /nfs/dbraw/zinc/06/83/96/396068396.db2.gz DQEWQGMPQXKHCF-LBPRGKRZSA-N 1 0 305.444 0.242 20 70 DCIDRO CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161319423 396075975 /nfs/dbraw/zinc/07/59/75/396075975.db2.gz QXEDXYKKORCVNZ-LBPRGKRZSA-N 1 0 305.382 0.438 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000161323512 396076181 /nfs/dbraw/zinc/07/61/81/396076181.db2.gz JSJMLRGQGXQJQL-NSHDSACASA-N 1 0 307.398 0.717 20 70 DCIDRO COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159957424 158353298 /nfs/dbraw/zinc/35/32/98/158353298.db2.gz AKCDCHATMGLCRK-VIFPVBQESA-N 1 0 318.420 0.893 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000160046913 158353515 /nfs/dbraw/zinc/35/35/15/158353515.db2.gz QIULXSUBUDXRIB-DZGCQCFKSA-N 1 0 313.442 0.900 20 70 DCIDRO COC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000161091623 158356073 /nfs/dbraw/zinc/35/60/73/158356073.db2.gz PQFMRKPJRKRGCK-LBPRGKRZSA-N 1 0 323.397 0.862 20 70 DCIDRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000160977403 289199227 /nfs/dbraw/zinc/19/92/27/289199227.db2.gz TZTMULKQELZTMB-BARDWOONSA-N 1 0 323.437 0.916 20 70 DCIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161489819 522328530 /nfs/dbraw/zinc/32/85/30/522328530.db2.gz XIACCPTZCPXZIW-WDEREUQCSA-N 1 0 314.769 0.998 20 70 DCIDRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000160324567 523576612 /nfs/dbraw/zinc/57/66/12/523576612.db2.gz RUMFEUZAZRTLBA-UHFFFAOYSA-N 1 0 308.382 0.413 20 70 DCIDRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159530730 524014791 /nfs/dbraw/zinc/01/47/91/524014791.db2.gz PCRXUUSFZHMWGF-GJZGRUSLSA-N 1 0 303.406 0.802 20 70 DCIDRO CN(C)C(=O)c1cc(NC(=O)C[C@H]2C[NH2+]CCO2)ccc1F ZINC000160358860 524018924 /nfs/dbraw/zinc/01/89/24/524018924.db2.gz JHNNDKNPOMIJFO-NSHDSACASA-N 1 0 309.341 0.845 20 70 DCIDRO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1N ZINC000161202723 524610926 /nfs/dbraw/zinc/61/09/26/524610926.db2.gz GKWHKDJODXVBTL-NSHDSACASA-N 1 0 320.393 0.626 20 70 DCIDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161308234 524769329 /nfs/dbraw/zinc/76/93/29/524769329.db2.gz MYFYYYOCJLDRKS-PSASIEDQSA-N 1 0 322.228 0.811 20 70 DCIDRO C[C@@H]([NH2+]CCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000159682372 525451525 /nfs/dbraw/zinc/45/15/25/525451525.db2.gz VOKCYRJFFUMTQL-GFCCVEGCSA-N 1 0 314.407 0.350 20 70 DCIDRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000160238492 545863728 /nfs/dbraw/zinc/86/37/28/545863728.db2.gz MUSSECHFTQSRCT-GXTWGEPZSA-N 1 0 324.429 0.285 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000160903990 545865029 /nfs/dbraw/zinc/86/50/29/545865029.db2.gz YGJGSJLITLEBDK-VXGBXAGGSA-N 1 0 315.377 0.568 20 70 DCIDRO COC(=O)CCCS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218716991 545939768 /nfs/dbraw/zinc/93/97/68/545939768.db2.gz AZPVOXJDCCXGFJ-RYUDHWBXSA-N 1 0 304.412 0.486 20 70 DCIDRO CN1CC(=O)N(CCCC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159510437 530046942 /nfs/dbraw/zinc/04/69/42/530046942.db2.gz STQHAVFGLQPTOP-UHFFFAOYSA-N 1 0 310.398 0.438 20 70 DCIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000160876066 291239771 /nfs/dbraw/zinc/23/97/71/291239771.db2.gz NYMXDTLGOGSHIV-OLZOCXBDSA-N 1 0 318.425 0.909 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000159826072 285211450 /nfs/dbraw/zinc/21/14/50/285211450.db2.gz LHLKURPFWTYRKL-LSDHHAIUSA-N 1 0 312.458 0.833 20 70 DCIDRO CCc1nnc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH]1 ZINC000159456287 396068543 /nfs/dbraw/zinc/06/85/43/396068543.db2.gz KLGYBXSWSXFLHC-GFCCVEGCSA-N 1 0 306.414 0.281 20 70 DCIDRO CC(C)COC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160637734 396074214 /nfs/dbraw/zinc/07/42/14/396074214.db2.gz DDTKIIIAGSYBRM-LSDHHAIUSA-N 1 0 313.442 0.803 20 70 DCIDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)C1 ZINC000159478833 158353176 /nfs/dbraw/zinc/35/31/76/158353176.db2.gz YIVRXJDINWFWGF-FRRDWIJNSA-N 1 0 300.399 0.489 20 70 DCIDRO COCC[NH2+]CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161012386 158355842 /nfs/dbraw/zinc/35/58/42/158355842.db2.gz OKUZFVOUFRQUAZ-UHFFFAOYSA-N 1 0 323.368 0.233 20 70 DCIDRO COCCN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160163611 416007912 /nfs/dbraw/zinc/00/79/12/416007912.db2.gz DHFTXWCVQNUEGH-AWEZNQCLSA-N 1 0 319.471 0.760 20 70 DCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc2c[nH]nc21 ZINC000160590793 416008622 /nfs/dbraw/zinc/00/86/22/416008622.db2.gz UMHBZAHATBXLIJ-UHFFFAOYSA-N 1 0 302.378 0.997 20 70 DCIDRO CC[C@@H](O)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160884796 416010048 /nfs/dbraw/zinc/01/00/48/416010048.db2.gz GFMCOFGBHIVPRV-MGPQQGTHSA-N 1 0 301.431 0.946 20 70 DCIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@@H]1CCOC1 ZINC000161014354 416010868 /nfs/dbraw/zinc/01/08/68/416010868.db2.gz KOMFAFWSEAJDHY-CABCVRRESA-N 1 0 319.405 0.806 20 70 DCIDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311294 520160631 /nfs/dbraw/zinc/16/06/31/520160631.db2.gz PKAVNGXIBNNQPO-WCQYABFASA-N 1 0 316.423 0.643 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000160695463 522390057 /nfs/dbraw/zinc/39/00/57/522390057.db2.gz QJEGFTJICQIOPE-GFCCVEGCSA-N 1 0 311.407 0.175 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)C1 ZINC000160533774 522500319 /nfs/dbraw/zinc/50/03/19/522500319.db2.gz GVLVYQMHTPUGRA-NSHDSACASA-N 1 0 317.393 0.241 20 70 DCIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159406597 523610608 /nfs/dbraw/zinc/61/06/08/523610608.db2.gz YSGMZNJOJZXDPS-CYBMUJFWSA-N 1 0 304.398 0.891 20 70 DCIDRO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cnc1Cl ZINC000161485517 525410471 /nfs/dbraw/zinc/41/04/71/525410471.db2.gz ZTNCWSOCZLNQKF-LBPRGKRZSA-N 1 0 321.830 0.634 20 70 DCIDRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000161204621 526457832 /nfs/dbraw/zinc/45/78/32/526457832.db2.gz UEJBOIVGITVIIT-RNFRBKRXSA-N 1 0 309.313 0.543 20 70 DCIDRO CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160188832 528386844 /nfs/dbraw/zinc/38/68/44/528386844.db2.gz AYXMXRNWGKYGDA-LBPRGKRZSA-N 1 0 311.407 0.548 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000161333947 530002336 /nfs/dbraw/zinc/00/23/36/530002336.db2.gz JLENEGLKYGQHCX-CYBMUJFWSA-N 1 0 314.389 0.915 20 70 DCIDRO O=C(Cn1nnc2ccccc2c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159543832 237075192 /nfs/dbraw/zinc/07/51/92/237075192.db2.gz WDROGOWQLZEXJB-TXEJJXNPSA-N 1 0 313.361 0.144 20 70 DCIDRO C[N@H+](CC(=O)NCc1ccc(C(N)=O)cc1)[C@H]1CCSC1 ZINC000160254615 291238357 /nfs/dbraw/zinc/23/83/57/291238357.db2.gz PSUUBTCIFNDVBV-ZDUSSCGKSA-N 1 0 307.419 0.839 20 70 DCIDRO O=C1CNC(=O)N1CCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161335945 291241667 /nfs/dbraw/zinc/24/16/67/291241667.db2.gz CFQOJKVQHYSERK-NSHDSACASA-N 1 0 323.315 0.564 20 70 DCIDRO COCCC[N@H+](C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000159898230 396071396 /nfs/dbraw/zinc/07/13/96/396071396.db2.gz RZUPWJXQFAZVII-UHFFFAOYSA-N 1 0 305.382 0.666 20 70 DCIDRO CCN(CC)C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159394948 396067830 /nfs/dbraw/zinc/06/78/30/396067830.db2.gz VKDGRIYTQFWXCL-AWEZNQCLSA-N 1 0 310.442 0.269 20 70 DCIDRO CN1CC(=O)N(CC(=O)NCC[NH2+]C2CCCCCC2)C1=O ZINC000159645800 396069665 /nfs/dbraw/zinc/06/96/65/396069665.db2.gz PPJCEWRDXWERED-UHFFFAOYSA-N 1 0 310.398 0.309 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160467984 396074539 /nfs/dbraw/zinc/07/45/39/396074539.db2.gz VYVJGAIDHFCGFN-CYBMUJFWSA-N 1 0 310.419 0.979 20 70 DCIDRO CCOc1ncccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160619431 416009386 /nfs/dbraw/zinc/00/93/86/416009386.db2.gz QWTDNERFHVVAGD-UHFFFAOYSA-N 1 0 307.394 0.914 20 70 DCIDRO CC(C)n1nccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000160864472 416009784 /nfs/dbraw/zinc/00/97/84/416009784.db2.gz RSDJWYWJCWEJJS-CYBMUJFWSA-N 1 0 321.425 0.781 20 70 DCIDRO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(C)[NH3+])C2=O ZINC000159991225 275966878 /nfs/dbraw/zinc/96/68/78/275966878.db2.gz CBUIISBXAHFETF-UHFFFAOYSA-N 1 0 324.425 0.731 20 70 DCIDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C[NH2+]CCOC)CC2 ZINC000160750784 276482855 /nfs/dbraw/zinc/48/28/55/276482855.db2.gz XXMOXQCNDCVOJJ-QWHCGFSZSA-N 1 0 300.399 0.001 20 70 DCIDRO COC(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000160536950 521962795 /nfs/dbraw/zinc/96/27/95/521962795.db2.gz RLTSNSVSILCETN-NSHDSACASA-N 1 0 310.350 0.643 20 70 DCIDRO Cc1sc2ncn(CC(=O)NCC(C)(C)[NH3+])c(=O)c2c1C ZINC000160083267 534615193 /nfs/dbraw/zinc/61/51/93/534615193.db2.gz FSLVDROOJOZQOG-UHFFFAOYSA-N 1 0 308.407 0.928 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000160599786 522392812 /nfs/dbraw/zinc/39/28/12/522392812.db2.gz LFITXNXGWCGFRT-LSDHHAIUSA-N 1 0 301.390 0.855 20 70 DCIDRO COC(=O)CCCc1nnc(NC(=O)[C@@]2(C)CC[NH2+]C2)s1 ZINC000159735658 523053737 /nfs/dbraw/zinc/05/37/37/523053737.db2.gz ILSJCMJNTMEQAX-ZDUSSCGKSA-N 1 0 312.395 0.972 20 70 DCIDRO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160834235 527003237 /nfs/dbraw/zinc/00/32/37/527003237.db2.gz WOQAACNMVROGKM-QJPTWQEYSA-N 1 0 302.296 0.999 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000160347969 527234469 /nfs/dbraw/zinc/23/44/69/527234469.db2.gz GKRUXZSVZFHFMO-SNVBAGLBSA-N 1 0 314.183 0.561 20 70 DCIDRO CC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161448895 527389231 /nfs/dbraw/zinc/38/92/31/527389231.db2.gz LOQBGIXCZUNNFK-CQSZACIVSA-N 1 0 314.407 0.480 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000161171648 545864384 /nfs/dbraw/zinc/86/43/84/545864384.db2.gz ZQRUBUSSXPGVHD-STQMWFEESA-N 1 0 305.378 0.568 20 70 DCIDRO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161349989 545866414 /nfs/dbraw/zinc/86/64/14/545866414.db2.gz LRMWVKIKPFGLRX-UWVGGRQHSA-N 1 0 304.350 0.835 20 70 DCIDRO C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 ZINC000161489201 545866600 /nfs/dbraw/zinc/86/66/00/545866600.db2.gz IHMUWADYDDWFTN-LBPRGKRZSA-N 1 0 322.413 0.564 20 70 DCIDRO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160271538 237082039 /nfs/dbraw/zinc/08/20/39/237082039.db2.gz PIFZMKNZMVEMKP-HIFRSBDPSA-N 1 0 305.378 0.302 20 70 DCIDRO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH2+]CC2)cc1 ZINC000159366326 237072174 /nfs/dbraw/zinc/07/21/74/237072174.db2.gz MPRJSPMARYOFRJ-GFCCVEGCSA-N 1 0 311.407 0.094 20 70 DCIDRO COCCC1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000161061071 237089236 /nfs/dbraw/zinc/08/92/36/237089236.db2.gz UVVIVIZCYRVKRT-UHFFFAOYSA-N 1 0 313.442 0.901 20 70 DCIDRO CCCN(C(=O)[C@@H](C)N(C)C[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000159475950 291234696 /nfs/dbraw/zinc/23/46/96/291234696.db2.gz ROAFWMRCFLLNKJ-JHJVBQTASA-N 1 0 320.455 0.113 20 70 DCIDRO COC[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000159431528 396068470 /nfs/dbraw/zinc/06/84/70/396068470.db2.gz UOADOSBJVQDAHE-NSHDSACASA-N 1 0 315.395 0.158 20 70 DCIDRO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160756807 396075360 /nfs/dbraw/zinc/07/53/60/396075360.db2.gz ZMIYYDNEMATOLO-RISCZKNCSA-N 1 0 312.410 0.489 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000161311169 158357050 /nfs/dbraw/zinc/35/70/50/158357050.db2.gz PEBMKICYNXHVQK-AWEZNQCLSA-N 1 0 314.393 0.859 20 70 DCIDRO CCC(CC)(C[NH3+])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000161265407 158357125 /nfs/dbraw/zinc/35/71/25/158357125.db2.gz BYUGKVBRBVVUGX-ZDUSSCGKSA-N 1 0 324.469 0.563 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(F)cc1 ZINC000161435625 158357687 /nfs/dbraw/zinc/35/76/87/158357687.db2.gz RFZPMIWZOPFLJB-ZDUSSCGKSA-N 1 0 304.387 0.558 20 70 DCIDRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCCNC1=O ZINC000160300667 416007970 /nfs/dbraw/zinc/00/79/70/416007970.db2.gz WJXNSCPZCWOGRK-LBPRGKRZSA-N 1 0 322.409 0.452 20 70 DCIDRO COC[C@@H](O)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160174933 277249948 /nfs/dbraw/zinc/24/99/48/277249948.db2.gz IPCONLMYUFLPBB-IMJJTQAJSA-N 1 0 321.421 0.956 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000161330150 522046486 /nfs/dbraw/zinc/04/64/86/522046486.db2.gz IEBYNSDECKNPIK-AWEZNQCLSA-N 1 0 300.366 0.415 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])ccc1F ZINC000160005454 522261830 /nfs/dbraw/zinc/26/18/30/522261830.db2.gz GIUZNYCOHQROJO-UHFFFAOYSA-N 1 0 303.359 0.201 20 70 DCIDRO [NH3+]CCCNC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000160054823 527180382 /nfs/dbraw/zinc/18/03/82/527180382.db2.gz SPZMPDRRHBTCRO-RUDMXATFSA-N 1 0 323.418 0.606 20 70 DCIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCO1 ZINC000161401223 545866394 /nfs/dbraw/zinc/86/63/94/545866394.db2.gz ROZLTDDNVLWPTO-HNNXBMFYSA-N 1 0 304.394 0.499 20 70 DCIDRO C[NH+](C)C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CCO1 ZINC000160014584 282128364 /nfs/dbraw/zinc/12/83/64/282128364.db2.gz SZMBHJXVGUWPSX-VXGBXAGGSA-N 1 0 323.359 0.802 20 70 DCIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000161334078 529989166 /nfs/dbraw/zinc/98/91/66/529989166.db2.gz JLENEGLKYGQHCX-ZDUSSCGKSA-N 1 0 314.389 0.915 20 70 DCIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000159990082 396072163 /nfs/dbraw/zinc/07/21/63/396072163.db2.gz UCWLFOFGGJWCMO-HIFRSBDPSA-N 1 0 309.410 0.178 20 70 DCIDRO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159782377 396070536 /nfs/dbraw/zinc/07/05/36/396070536.db2.gz GJGOUMKRVYDISV-ZIAGYGMSSA-N 1 0 310.442 0.884 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000161475125 158357196 /nfs/dbraw/zinc/35/71/96/158357196.db2.gz KSXFNIUWVJLDAL-LBPRGKRZSA-N 1 0 308.350 0.556 20 70 DCIDRO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160295164 519733726 /nfs/dbraw/zinc/73/37/26/519733726.db2.gz PVLOUXZFNLDWHW-GFCCVEGCSA-N 1 0 311.407 0.547 20 70 DCIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NCC1(CO)COC1 ZINC000160940723 534627163 /nfs/dbraw/zinc/62/71/63/534627163.db2.gz ZYUDGLMWCIEMDT-CYBMUJFWSA-N 1 0 323.393 0.725 20 70 DCIDRO C[N@@H+]1CCN(CCN2C(=O)CNC2=O)[C@H](c2ccccc2)C1 ZINC000161333293 523901068 /nfs/dbraw/zinc/90/10/68/523901068.db2.gz UXEFIMQLVIYPEW-AWEZNQCLSA-N 1 0 302.378 0.527 20 70 DCIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159530371 524009061 /nfs/dbraw/zinc/00/90/61/524009061.db2.gz PCRXUUSFZHMWGF-HUUCEWRRSA-N 1 0 303.406 0.802 20 70 DCIDRO CSCCCCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000159682984 525397394 /nfs/dbraw/zinc/39/73/94/525397394.db2.gz AZFCLHPMAQLKCK-UHFFFAOYSA-N 1 0 301.456 0.752 20 70 DCIDRO C[C@@H]1C[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954544 525441976 /nfs/dbraw/zinc/44/19/76/525441976.db2.gz OIKIVPZJMMPPQU-IUODEOHRSA-N 1 0 318.421 0.474 20 70 DCIDRO Cc1ccnc2nc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)nn21 ZINC000160497075 525719360 /nfs/dbraw/zinc/71/93/60/525719360.db2.gz KMQJGCFEABCXSC-GFCCVEGCSA-N 1 0 318.381 0.009 20 70 DCIDRO C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160008024 525968665 /nfs/dbraw/zinc/96/86/65/525968665.db2.gz UUTPCFDERRWORX-UONOGXRCSA-N 1 0 307.394 0.812 20 70 DCIDRO C[C@H](C(=O)N1CCC[C@H]1C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000160397649 525978077 /nfs/dbraw/zinc/97/80/77/525978077.db2.gz OBGDNFVQELPSPR-YPMHNXCESA-N 1 0 300.366 0.851 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H]1C[NH3+])C2=O ZINC000160201862 526139080 /nfs/dbraw/zinc/13/90/80/526139080.db2.gz OHFXSFJDZSWRQZ-LLVKDONJSA-N 1 0 301.346 0.541 20 70 DCIDRO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000160833978 527003102 /nfs/dbraw/zinc/00/31/02/527003102.db2.gz WOQAACNMVROGKM-SDDRHHMPSA-N 1 0 302.296 0.999 20 70 DCIDRO O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000160461717 527171752 /nfs/dbraw/zinc/17/17/52/527171752.db2.gz IOUJJNOLKYMXCH-JSGCOSHPSA-N 1 0 315.373 0.972 20 70 DCIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000160348095 527212334 /nfs/dbraw/zinc/21/23/34/527212334.db2.gz GKRUXZSVZFHFMO-JTQLQIEISA-N 1 0 314.183 0.561 20 70 DCIDRO C[C@H]1CN(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000161391494 545865900 /nfs/dbraw/zinc/86/59/00/545865900.db2.gz PRSASGZAORLCRZ-GJZGRUSLSA-N 1 0 318.421 0.839 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000161305489 545866120 /nfs/dbraw/zinc/86/61/20/545866120.db2.gz CPMWKQKVNBDAQK-STQMWFEESA-N 1 0 300.366 0.591 20 70 DCIDRO O=C(c1cccc2c1OCC(=O)N2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159964834 237080953 /nfs/dbraw/zinc/08/09/53/237080953.db2.gz DJYZFLZJHCRINP-PHIMTYICSA-N 1 0 301.346 0.984 20 70 DCIDRO CS[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000159674647 291235793 /nfs/dbraw/zinc/23/57/93/291235793.db2.gz NGEQWFVDDAJMSJ-OLZOCXBDSA-N 1 0 302.488 0.921 20 70 DCIDRO CO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000160014803 291236952 /nfs/dbraw/zinc/23/69/52/291236952.db2.gz DGCZXDOHCSOCIH-HUUCEWRRSA-N 1 0 312.458 0.879 20 70 DCIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCc2ncnn2C1 ZINC000160875940 291240115 /nfs/dbraw/zinc/24/01/15/291240115.db2.gz NYMXDTLGOGSHIV-QWHCGFSZSA-N 1 0 318.425 0.909 20 70 DCIDRO COCCC1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000161425936 533180635 /nfs/dbraw/zinc/18/06/35/533180635.db2.gz CXRDHBACAZOVAS-CYBMUJFWSA-N 1 0 311.426 0.507 20 70 DCIDRO COC(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159938946 396072454 /nfs/dbraw/zinc/07/24/54/396072454.db2.gz ZEQMDUHWLUGQFY-LBPRGKRZSA-N 1 0 312.391 0.831 20 70 DCIDRO CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160770613 396074912 /nfs/dbraw/zinc/07/49/12/396074912.db2.gz UWYKCCOAGHWCLD-KBPBESRZSA-N 1 0 308.426 0.638 20 70 DCIDRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1F ZINC000161481819 158356792 /nfs/dbraw/zinc/35/67/92/158356792.db2.gz SGPCODFVKPPQTO-ZDUSSCGKSA-N 1 0 320.386 0.425 20 70 DCIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000161251464 158357274 /nfs/dbraw/zinc/35/72/74/158357274.db2.gz FGULJEHVTUISKE-UONOGXRCSA-N 1 0 319.405 0.780 20 70 DCIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000160517121 416008045 /nfs/dbraw/zinc/00/80/45/416008045.db2.gz XVBYKNUDKWVMOE-MNOVXSKESA-N 1 0 324.425 0.605 20 70 DCIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160979228 522027302 /nfs/dbraw/zinc/02/73/02/522027302.db2.gz CZJLBORJXZPBCS-ZIAGYGMSSA-N 1 0 319.405 0.638 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000161309274 522087248 /nfs/dbraw/zinc/08/72/48/522087248.db2.gz PIHYRMJOMWUOPO-CYBMUJFWSA-N 1 0 300.366 0.551 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)C1 ZINC000160660607 522500258 /nfs/dbraw/zinc/50/02/58/522500258.db2.gz LOHRTBFCUNWXNM-RYUDHWBXSA-N 1 0 303.362 0.621 20 70 DCIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160662848 525367873 /nfs/dbraw/zinc/36/78/73/525367873.db2.gz IQASJHMGYIFALS-TZMCWYRMSA-N 1 0 323.393 0.361 20 70 DCIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000160389891 526690444 /nfs/dbraw/zinc/69/04/44/526690444.db2.gz XGHXRAUBFVECGJ-VHDGCEQUSA-N 1 0 320.364 0.970 20 70 DCIDRO CC[NH+]1CCN([C@H]2CCN(Cc3nsc(N(C)C)n3)C2)CC1 ZINC000160049170 529152685 /nfs/dbraw/zinc/15/26/85/529152685.db2.gz YEOFKXFBKGXMNX-ZDUSSCGKSA-N 1 0 324.498 0.816 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000160953648 545865005 /nfs/dbraw/zinc/86/50/05/545865005.db2.gz BODAHMORAGRDDH-OLZOCXBDSA-N 1 0 300.366 0.726 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000161354680 545866859 /nfs/dbraw/zinc/86/68/59/545866859.db2.gz PJNXVUSYTOLWCM-QWRGUYRKSA-N 1 0 301.350 0.178 20 70 DCIDRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160962499 237089131 /nfs/dbraw/zinc/08/91/31/237089131.db2.gz WWMZGQPNYOLVKB-FRRDWIJNSA-N 1 0 318.439 0.179 20 70 DCIDRO CC[NH+]1CCC(NC(=O)CSCCN2CCOCC2)CC1 ZINC000159962070 291236871 /nfs/dbraw/zinc/23/68/71/291236871.db2.gz JPOFZSNITZXJOA-UHFFFAOYSA-N 1 0 315.483 0.652 20 70 DCIDRO O=C(C[NH2+]C1CCN(CC(F)F)CC1)NCC(F)(F)F ZINC000160566215 291239102 /nfs/dbraw/zinc/23/91/02/291239102.db2.gz FIYLUKGHBXUJKG-UHFFFAOYSA-N 1 0 303.275 0.984 20 70 DCIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)C(=O)C1 ZINC000160906447 291240107 /nfs/dbraw/zinc/24/01/07/291240107.db2.gz QRAVUVQRHFIYCK-AWEZNQCLSA-N 1 0 310.442 0.981 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)C1 ZINC000160743889 532956752 /nfs/dbraw/zinc/95/67/52/532956752.db2.gz VECLGDWIJWQARJ-LLVKDONJSA-N 1 0 320.418 0.895 20 70 DCIDRO COCC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000159806601 396071384 /nfs/dbraw/zinc/07/13/84/396071384.db2.gz BLYORFQWVBXOCZ-CYBMUJFWSA-N 1 0 311.426 0.424 20 70 DCIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000160277094 396073084 /nfs/dbraw/zinc/07/30/84/396073084.db2.gz IVJMXSWFWBDKQF-TZMCWYRMSA-N 1 0 302.378 0.380 20 70 DCIDRO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160742191 396075350 /nfs/dbraw/zinc/07/53/50/396075350.db2.gz DUSDWIQAIJURSE-ZIAGYGMSSA-N 1 0 308.426 0.637 20 70 DCIDRO CC[C@H](O)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160884360 416008528 /nfs/dbraw/zinc/00/85/28/416008528.db2.gz GFMCOFGBHIVPRV-MJBXVCDLSA-N 1 0 301.431 0.946 20 70 DCIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1F ZINC000161432083 416013789 /nfs/dbraw/zinc/01/37/89/416013789.db2.gz JGUPNFGCQAQSAY-LBPRGKRZSA-N 1 0 308.350 0.556 20 70 DCIDRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000160243808 289199313 /nfs/dbraw/zinc/19/93/13/289199313.db2.gz UBXRYRUMYRKZEU-KFWWJZLASA-N 1 0 311.426 0.916 20 70 DCIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000160330565 521639177 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C[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161343354 524823716 /nfs/dbraw/zinc/82/37/16/524823716.db2.gz ZHIIXEWNXHMSOV-ZETCQYMHSA-N 1 0 301.343 0.552 20 70 DCIDRO Cc1ccoc1C(=O)NCCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000160384045 525782404 /nfs/dbraw/zinc/78/24/04/525782404.db2.gz ORWXDRSWXLESPJ-CYBMUJFWSA-N 1 0 323.393 0.593 20 70 DCIDRO C[C@@H](NC(=O)Nc1cnn(CC(F)F)c1)[C@H]1CN(C)CCO1 ZINC000160001349 545861465 /nfs/dbraw/zinc/86/14/65/545861465.db2.gz YZEGQFBHRHEHRJ-MWLCHTKSSA-N 1 0 317.340 0.989 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000161309393 545866841 /nfs/dbraw/zinc/86/68/41/545866841.db2.gz QDOJLNHZPLZYGY-BDAKNGLRSA-N 1 0 301.368 0.187 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C1 ZINC000160232095 291237671 /nfs/dbraw/zinc/23/76/71/291237671.db2.gz LGERAXVBEOCBSD-BDAKNGLRSA-N 1 0 309.288 0.709 20 70 DCIDRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000160244073 291238135 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YNHQFQAYJIRRAY-UHFFFAOYSA-N 1 0 312.458 0.618 20 70 DCIDRO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000159809198 396071311 /nfs/dbraw/zinc/07/13/11/396071311.db2.gz DGHRWFYEDFLGRJ-OAHLLOKOSA-N 1 0 314.474 0.986 20 70 DCIDRO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000159809353 396071405 /nfs/dbraw/zinc/07/14/05/396071405.db2.gz DGHRWFYEDFLGRJ-HNNXBMFYSA-N 1 0 314.474 0.986 20 70 DCIDRO COC(=O)COc1cccc(CNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000160110795 158352748 /nfs/dbraw/zinc/35/27/48/158352748.db2.gz RDKLWTVKOASFDJ-ZDUSSCGKSA-N 1 0 306.362 0.854 20 70 DCIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000160162737 158353070 /nfs/dbraw/zinc/35/30/70/158353070.db2.gz DFQJZKRTDZHTNM-ZDUSSCGKSA-N 1 0 323.418 0.691 20 70 DCIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc2c1OCCO2 ZINC000160701731 158356310 /nfs/dbraw/zinc/35/63/10/158356310.db2.gz IFEKXQCXRBWRFK-UHFFFAOYSA-N 1 0 320.389 0.892 20 70 DCIDRO Cc1ccc(C)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000161430854 158357571 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2[nH]cnc21 ZINC000159440169 524344714 /nfs/dbraw/zinc/34/47/14/524344714.db2.gz DZPCXCYJZPGVEW-GFCCVEGCSA-N 1 0 301.394 0.929 20 70 DCIDRO C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954870 524809928 /nfs/dbraw/zinc/80/99/28/524809928.db2.gz OIKIVPZJMMPPQU-WFASDCNBSA-N 1 0 318.421 0.474 20 70 DCIDRO C[C@H]([NH2+]CCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000159682228 525355102 /nfs/dbraw/zinc/35/51/02/525355102.db2.gz VOKCYRJFFUMTQL-LBPRGKRZSA-N 1 0 314.407 0.350 20 70 DCIDRO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H]2C[NH3+])C1=O ZINC000160281102 525615089 /nfs/dbraw/zinc/61/50/89/525615089.db2.gz DMASLFDWXOYDLZ-RYUDHWBXSA-N 1 0 303.362 0.750 20 70 DCIDRO C[C@@]1(C(=O)NCCCN2C(=O)COc3ccccc32)CC[NH2+]C1 ZINC000160671270 525797576 /nfs/dbraw/zinc/79/75/76/525797576.db2.gz ZWVLKOKJDGTYAH-QGZVFWFLSA-N 1 0 317.389 0.918 20 70 DCIDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)s1 ZINC000160310280 526717078 /nfs/dbraw/zinc/71/70/78/526717078.db2.gz OZSOXZJAUTYRLZ-LLVKDONJSA-N 1 0 318.468 0.765 20 70 DCIDRO CCCn1nccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000160004741 545861288 /nfs/dbraw/zinc/86/12/88/545861288.db2.gz RTBHWVPJQBJXGV-UHFFFAOYSA-N 1 0 300.428 0.807 20 70 DCIDRO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161330926 545865951 /nfs/dbraw/zinc/86/59/51/545865951.db2.gz PBQAJOSIZOLDFL-GOEBONIOSA-N 1 0 318.421 0.887 20 70 DCIDRO C[C@@H]1CCCN(S(=O)(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000161419297 237092798 /nfs/dbraw/zinc/09/27/98/237092798.db2.gz AAQXIWYGCJYBOB-CYBMUJFWSA-N 1 0 319.471 0.257 20 70 DCIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159634850 291235392 /nfs/dbraw/zinc/23/53/92/291235392.db2.gz XKIFYJRXLDTOAN-CABCVRRESA-N 1 0 303.406 0.802 20 70 DCIDRO C[NH+](C)CCN(C(=O)NCCNS(C)(=O)=O)C1CCCC1 ZINC000159941544 291236939 /nfs/dbraw/zinc/23/69/39/291236939.db2.gz LRRVWRMXQSMCAS-UHFFFAOYSA-N 1 0 320.459 0.051 20 70 DCIDRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)[NH3+] ZINC000160012309 533609948 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C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1nnnn1-c1ccccc1 ZINC000160996201 416010825 /nfs/dbraw/zinc/01/08/25/416010825.db2.gz YRAYUYAWVXTYFG-NWDGAFQWSA-N 1 0 300.366 0.839 20 70 DCIDRO CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660861 416327375 /nfs/dbraw/zinc/32/73/75/416327375.db2.gz ADYJHQPMVQPEAX-OLZOCXBDSA-N 1 0 302.440 0.896 20 70 DCIDRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161165720 289220798 /nfs/dbraw/zinc/22/07/98/289220798.db2.gz UOXRRQNTFNRNFR-SFDCQRBFSA-N 1 0 311.426 0.556 20 70 DCIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000159451219 519730891 /nfs/dbraw/zinc/73/08/91/519730891.db2.gz AOHOMKWCECKYPO-GFCCVEGCSA-N 1 0 307.398 0.453 20 70 DCIDRO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160201908 519818883 /nfs/dbraw/zinc/81/88/83/519818883.db2.gz ZAWXCXJDTIDMLW-ZBFHGGJFSA-N 1 0 303.406 0.930 20 70 DCIDRO CC[NH+](CC)CCNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000160965017 520670062 /nfs/dbraw/zinc/67/00/62/520670062.db2.gz GZAAKFRMCDGLMD-UHFFFAOYSA-N 1 0 321.421 0.812 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000160716836 522390144 /nfs/dbraw/zinc/39/01/44/522390144.db2.gz YGJZBSIBDLYQNP-GFCCVEGCSA-N 1 0 302.378 0.999 20 70 DCIDRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000161204459 526458077 /nfs/dbraw/zinc/45/80/77/526458077.db2.gz UEJBOIVGITVIIT-NKWVEPMBSA-N 1 0 309.313 0.543 20 70 DCIDRO C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)[C@H]1CN(C)CCO1 ZINC000160111550 545861362 /nfs/dbraw/zinc/86/13/62/545861362.db2.gz DRWNJGXAXWEQRF-IACUBPJLSA-N 1 0 324.425 0.158 20 70 DCIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000159455337 237076376 /nfs/dbraw/zinc/07/63/76/237076376.db2.gz USYJIDWONMBQDC-KGLIPLIRSA-N 1 0 313.442 0.948 20 70 DCIDRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000160107009 237082375 /nfs/dbraw/zinc/08/23/75/237082375.db2.gz KZNFAIBYSPMZTJ-GFCCVEGCSA-N 1 0 314.407 0.892 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000160721160 283685253 /nfs/dbraw/zinc/68/52/53/283685253.db2.gz IZJKBAHLWRQLET-GJZGRUSLSA-N 1 0 314.393 0.586 20 70 DCIDRO CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160742591 396075254 /nfs/dbraw/zinc/07/52/54/396075254.db2.gz DUSDWIQAIJURSE-KBPBESRZSA-N 1 0 308.426 0.637 20 70 DCIDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160963000 158356044 /nfs/dbraw/zinc/35/60/44/158356044.db2.gz RWJHXDHSRDBEFT-RWMBFGLXSA-N 1 0 302.440 0.943 20 70 DCIDRO COCC[NH2+]CC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160929100 158356217 /nfs/dbraw/zinc/35/62/17/158356217.db2.gz AKIAFSDDHWKKDS-CQSZACIVSA-N 1 0 305.378 0.453 20 70 DCIDRO C[NH+](C)[C@H]1CCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000161371471 158357295 /nfs/dbraw/zinc/35/72/95/158357295.db2.gz UDMUQYCSVYODGW-JTQLQIEISA-N 1 0 302.421 0.928 20 70 DCIDRO CCN(CC)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161457688 158357363 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COC(=O)COc1cccc(CNC(=O)C2CC[NH2+]CC2)c1 ZINC000160109497 523228076 /nfs/dbraw/zinc/22/80/76/523228076.db2.gz LOOYCHKHDCSOBT-UHFFFAOYSA-N 1 0 306.362 0.854 20 70 DCIDRO COCCOCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160506669 523980411 /nfs/dbraw/zinc/98/04/11/523980411.db2.gz VHPLCFQTSVMVFV-CVEARBPZSA-N 1 0 322.405 0.401 20 70 DCIDRO CN(C)C(=O)Nc1cccc(CNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000160958932 524008539 /nfs/dbraw/zinc/00/85/39/524008539.db2.gz MTKMGWNIZCNKGL-CYBMUJFWSA-N 1 0 306.366 0.385 20 70 DCIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2[nH]cnc21 ZINC000159440056 524618572 /nfs/dbraw/zinc/61/85/72/524618572.db2.gz DZPCXCYJZPGVEW-LBPRGKRZSA-N 1 0 301.394 0.929 20 70 DCIDRO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161350237 545865754 /nfs/dbraw/zinc/86/57/54/545865754.db2.gz LRMWVKIKPFGLRX-ZJUUUORDSA-N 1 0 304.350 0.835 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000161410018 545865791 /nfs/dbraw/zinc/86/57/91/545865791.db2.gz WSCKFHAJIIXCJZ-CABCVRRESA-N 1 0 317.437 0.590 20 70 DCIDRO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC([NH3+])(CC)CC ZINC000160499510 529421048 /nfs/dbraw/zinc/42/10/48/529421048.db2.gz UNYIOCRSXWZOJR-MNOVXSKESA-N 1 0 307.460 0.584 20 70 DCIDRO CCc1nn(C)c(CC)c1C[NH2+]CCCNS(C)(=O)=O ZINC000159733341 291236151 /nfs/dbraw/zinc/23/61/51/291236151.db2.gz SBHVDZDIJLLUBH-UHFFFAOYSA-N 1 0 302.444 0.574 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000160514582 532968627 /nfs/dbraw/zinc/96/86/27/532968627.db2.gz MSGFALTYBOYEEV-CYBMUJFWSA-N 1 0 323.418 0.561 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000159889949 285210287 /nfs/dbraw/zinc/21/02/87/285210287.db2.gz HJGMHGOBVXVGDL-HNNXBMFYSA-N 1 0 312.458 0.692 20 70 DCIDRO O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CC[NH2+]CC1 ZINC000159383925 396068099 /nfs/dbraw/zinc/06/80/99/396068099.db2.gz VXVCMIURWVWCIV-UHFFFAOYSA-N 1 0 322.430 0.771 20 70 DCIDRO O=C(CCN1C(=O)CCC1=O)NCC[NH2+]C1CCCCCC1 ZINC000159716301 396070049 /nfs/dbraw/zinc/07/00/49/396070049.db2.gz UFTCOKWRPGWSGE-UHFFFAOYSA-N 1 0 309.410 0.954 20 70 DCIDRO CS(=O)(=O)c1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000159736403 396070664 /nfs/dbraw/zinc/07/06/64/396070664.db2.gz DTVCBUCMAVXIRF-UHFFFAOYSA-N 1 0 312.435 0.902 20 70 DCIDRO O=C(COc1ccccc1)NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159386078 158353493 /nfs/dbraw/zinc/35/34/93/158353493.db2.gz BPIWKMHHNMWCCZ-KRWDZBQOSA-N 1 0 317.389 0.394 20 70 DCIDRO CN(C)c1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccn1 ZINC000160659008 158355908 /nfs/dbraw/zinc/35/59/08/158355908.db2.gz KHRFIJHVQJDKDF-UHFFFAOYSA-N 1 0 306.410 0.582 20 70 DCIDRO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000160765631 158355992 /nfs/dbraw/zinc/35/59/92/158355992.db2.gz IPIODETXXRFQLV-CYBMUJFWSA-N 1 0 321.425 0.936 20 70 DCIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000161251958 158357525 /nfs/dbraw/zinc/35/75/25/158357525.db2.gz FGULJEHVTUISKE-ZIAGYGMSSA-N 1 0 319.405 0.780 20 70 DCIDRO COC(=O)c1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160552286 416010091 /nfs/dbraw/zinc/01/00/91/416010091.db2.gz LWVLQRNAKIMJHA-UHFFFAOYSA-N 1 0 320.389 0.907 20 70 DCIDRO Cn1c2ccccc2n(CCC(=O)N2CCC[C@H]2C[NH3+])c1=O ZINC000160266548 294188682 /nfs/dbraw/zinc/18/86/82/294188682.db2.gz ZRCCREWVDCOZRU-LBPRGKRZSA-N 1 0 302.378 0.680 20 70 DCIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000160330678 521657196 /nfs/dbraw/zinc/65/71/96/521657196.db2.gz SJHACHQYHVXLPF-NSHDSACASA-N 1 0 315.395 0.402 20 70 DCIDRO C[NH+](C)CCNC(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000217306213 521782483 /nfs/dbraw/zinc/78/24/83/521782483.db2.gz NQNMWJJFGBTKRB-UHFFFAOYSA-N 1 0 318.377 0.534 20 70 DCIDRO CCc1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161510255 521784025 /nfs/dbraw/zinc/78/40/25/521784025.db2.gz UWOCZTSNEQJJGI-CQSZACIVSA-N 1 0 300.424 0.840 20 70 DCIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000160721420 522392254 /nfs/dbraw/zinc/39/22/54/522392254.db2.gz IZJKBAHLWRQLET-CABCVRRESA-N 1 0 314.393 0.586 20 70 DCIDRO Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)C2=O)cc1 ZINC000160928345 524972332 /nfs/dbraw/zinc/97/23/32/524972332.db2.gz LQBWLYYPTPWZCR-ZIAGYGMSSA-N 1 0 303.362 0.205 20 70 DCIDRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[NH2+]CC1 ZINC000159373426 526438234 /nfs/dbraw/zinc/43/82/34/526438234.db2.gz BWOWUONYGKAFHQ-CQSZACIVSA-N 1 0 318.356 0.336 20 70 DCIDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)s1 ZINC000160310397 526716655 /nfs/dbraw/zinc/71/66/55/526716655.db2.gz OZSOXZJAUTYRLZ-NSHDSACASA-N 1 0 318.468 0.765 20 70 DCIDRO NC(=O)NC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000160169465 526929285 /nfs/dbraw/zinc/92/92/85/526929285.db2.gz JDMGTTCRQZKLAP-AWEZNQCLSA-N 1 0 316.405 0.968 20 70 DCIDRO CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159990886 527644457 /nfs/dbraw/zinc/64/44/57/527644457.db2.gz KRDGUUBOKCFHGC-CYBMUJFWSA-N 1 0 313.442 0.502 20 70 DCIDRO CC1(C)NC(=O)N(CCCC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159701238 527785652 /nfs/dbraw/zinc/78/56/52/527785652.db2.gz KYHRUOIVLJOKJZ-UHFFFAOYSA-N 1 0 324.425 0.875 20 70 DCIDRO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161348563 545866640 /nfs/dbraw/zinc/86/66/40/545866640.db2.gz WWAAHPITJJFFSY-OLZOCXBDSA-N 1 0 317.455 0.434 20 70 DCIDRO CN1CCO[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC000161127449 283032679 /nfs/dbraw/zinc/03/26/79/283032679.db2.gz UNADCCXVZAHEMK-KBMXLJTQSA-N 1 0 322.453 0.728 20 70 DCIDRO C[C@@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCN(C)CC1 ZINC000159673289 291236037 /nfs/dbraw/zinc/23/60/37/291236037.db2.gz GDWBOTVJRHMFJU-ZDUSSCGKSA-N 1 0 323.416 0.903 20 70 DCIDRO CC1(C)NC(=O)N(CC(=O)N2CCC([NH2+]CC3CC3)CC2)C1=O ZINC000159848995 396071116 /nfs/dbraw/zinc/07/11/16/396071116.db2.gz MLDSNIWMCDMRQQ-UHFFFAOYSA-N 1 0 322.409 0.307 20 70 DCIDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160256222 396073560 /nfs/dbraw/zinc/07/35/60/396073560.db2.gz UDILHOYJDPASGR-YJNKXOJESA-N 1 0 324.421 0.680 20 70 DCIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCO)CCCO)CC1 ZINC000159610287 396069879 /nfs/dbraw/zinc/06/98/79/396069879.db2.gz NBLGKKYHNZNWPP-UHFFFAOYSA-N 1 0 300.443 0.948 20 70 DCIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161316211 396076307 /nfs/dbraw/zinc/07/63/07/396076307.db2.gz VDBWFAVOTJWZHW-RDBSUJKOSA-N 1 0 309.410 0.176 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000160532043 158354947 /nfs/dbraw/zinc/35/49/47/158354947.db2.gz GEGLEFPNVGOWAD-VXGBXAGGSA-N 1 0 309.410 0.795 20 70 DCIDRO CCN(CC)S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161457808 158357600 /nfs/dbraw/zinc/35/76/00/158357600.db2.gz FTNRSVWRXMEFQO-ZDUSSCGKSA-N 1 0 321.487 0.598 20 70 DCIDRO COC(=O)CCc1nnc(NC(=O)[C@H]([NH3+])CC(C)C)s1 ZINC000159459085 416006586 /nfs/dbraw/zinc/00/65/86/416006586.db2.gz PSZPANCJKGDQHA-MRVPVSSYSA-N 1 0 300.384 0.956 20 70 DCIDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160569212 416009339 /nfs/dbraw/zinc/00/93/39/416009339.db2.gz IUHOCOKCZIQPLY-LBPRGKRZSA-N 1 0 313.442 0.358 20 70 DCIDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C ZINC000161431238 416013662 /nfs/dbraw/zinc/01/36/62/416013662.db2.gz JEBNSGQVFRVYSJ-CQSZACIVSA-N 1 0 300.424 0.894 20 70 DCIDRO CCOc1ccccc1N1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000160094699 521519907 /nfs/dbraw/zinc/51/99/07/521519907.db2.gz XIGQYFHVNPDCJA-GFCCVEGCSA-N 1 0 305.378 0.903 20 70 DCIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000161041676 522805508 /nfs/dbraw/zinc/80/55/08/522805508.db2.gz KPERXPMVONHZSJ-OLZOCXBDSA-N 1 0 306.362 0.799 20 70 DCIDRO CC(C)CC(=O)NCCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160533378 527661293 /nfs/dbraw/zinc/66/12/93/527661293.db2.gz AEJOPCNEFZIHSO-CQSZACIVSA-N 1 0 313.442 0.502 20 70 DCIDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@@H]1[NH3+])CC2 ZINC000160879469 545865281 /nfs/dbraw/zinc/86/52/81/545865281.db2.gz JUKJMXUBLJVGFW-OLZOCXBDSA-N 1 0 323.418 0.611 20 70 DCIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000161501828 545865812 /nfs/dbraw/zinc/86/58/12/545865812.db2.gz KLSOJFCYLRKPFY-LSDHHAIUSA-N 1 0 310.442 0.981 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000161319764 545866309 /nfs/dbraw/zinc/86/63/09/545866309.db2.gz UPLCSTBYFOKZFP-GFCCVEGCSA-N 1 0 311.407 0.466 20 70 DCIDRO C[N@H+](CC(=O)NCCOC[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000159646209 291235281 /nfs/dbraw/zinc/23/52/81/291235281.db2.gz JFNSFFULSBWLGA-OLZOCXBDSA-N 1 0 302.440 0.736 20 70 DCIDRO CS[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000159674555 291236168 /nfs/dbraw/zinc/23/61/68/291236168.db2.gz NGEQWFVDDAJMSJ-STQMWFEESA-N 1 0 302.488 0.921 20 70 DCIDRO CC[C@@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000161338741 291241771 /nfs/dbraw/zinc/24/17/71/291241771.db2.gz ZTQUVOCAHPJNEB-ZDUSSCGKSA-N 1 0 303.362 0.739 20 70 DCIDRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160286845 396073248 /nfs/dbraw/zinc/07/32/48/396073248.db2.gz HNRQVNLYWMRSIM-FIXISWKDSA-N 1 0 308.382 0.047 20 70 DCIDRO COC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000159449824 396068575 /nfs/dbraw/zinc/06/85/75/396068575.db2.gz CZTGYMHKJFQZCD-NWDGAFQWSA-N 1 0 313.423 0.211 20 70 DCIDRO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000159668083 396069807 /nfs/dbraw/zinc/06/98/07/396069807.db2.gz REUXGZNBFPBLLP-ZDUSSCGKSA-N 1 0 317.455 0.547 20 70 DCIDRO CN(CCN1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160673243 396075533 /nfs/dbraw/zinc/07/55/33/396075533.db2.gz FJQJVWJOVPSHKI-HNNXBMFYSA-N 1 0 310.442 0.444 20 70 DCIDRO CSC[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160681803 396075596 /nfs/dbraw/zinc/07/55/96/396075596.db2.gz QOHGZVOYFGZPOB-GXTWGEPZSA-N 1 0 301.456 0.884 20 70 DCIDRO CC[NH2+]CC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000161132489 158355692 /nfs/dbraw/zinc/35/56/92/158355692.db2.gz MTIRBWBYAWEHMP-UHFFFAOYSA-N 1 0 311.426 0.474 20 70 DCIDRO O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CC[NH2+]CC1 ZINC000217305956 261152477 /nfs/dbraw/zinc/15/24/77/261152477.db2.gz FNXRMLRBSMKKIP-UHFFFAOYSA-N 1 0 316.361 0.288 20 70 DCIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000159967096 279149777 /nfs/dbraw/zinc/14/97/77/279149777.db2.gz ATVDZNJTTXIOGE-CHWSQXEVSA-N 1 0 317.455 0.689 20 70 DCIDRO CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000161409831 520276006 /nfs/dbraw/zinc/27/60/06/520276006.db2.gz ALLUQWPWMFFONG-ZNMIVQPWSA-N 1 0 319.405 0.829 20 70 DCIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000159585986 521607899 /nfs/dbraw/zinc/60/78/99/521607899.db2.gz IDTADKRWRKOMIE-UHFFFAOYSA-N 1 0 308.382 0.747 20 70 DCIDRO CNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160080713 522284210 /nfs/dbraw/zinc/28/42/10/522284210.db2.gz DLQMHDMPBCHSIQ-UHFFFAOYSA-N 1 0 313.423 0.381 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000161347276 523816994 /nfs/dbraw/zinc/81/69/94/523816994.db2.gz AMSQNDPEJHBNEA-UHFFFAOYSA-N 1 0 319.361 0.962 20 70 DCIDRO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)ccc1F ZINC000161508250 525411764 /nfs/dbraw/zinc/41/17/64/525411764.db2.gz GCALTZCRPWLVFX-ZDUSSCGKSA-N 1 0 304.387 0.725 20 70 DCIDRO Cn1c(=O)cccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159692456 527030177 /nfs/dbraw/zinc/03/01/77/527030177.db2.gz CSASYJJBIZTRDO-UHFFFAOYSA-N 1 0 319.405 0.570 20 70 DCIDRO CC1(C)NC(=O)N(CC(=O)NCC[NH2+]C2CCCCCC2)C1=O ZINC000159698807 527786126 /nfs/dbraw/zinc/78/61/26/527786126.db2.gz VRMFYZRBONNJHE-UHFFFAOYSA-N 1 0 324.425 0.745 20 70 DCIDRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC([NH3+])(CC)CC ZINC000160499755 529401918 /nfs/dbraw/zinc/40/19/18/529401918.db2.gz UNYIOCRSXWZOJR-GHMZBOCLSA-N 1 0 307.460 0.584 20 70 DCIDRO COc1cccc(C[C@@H](NC(C)=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000160047588 533539929 /nfs/dbraw/zinc/53/99/29/533539929.db2.gz RWGBQWBXZZGJMI-CQSZACIVSA-N 1 0 307.394 0.596 20 70 DCIDRO CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ncnc2nc[nH]c21 ZINC000159389272 396067812 /nfs/dbraw/zinc/06/78/12/396067812.db2.gz QNXIEZAHWYPKJR-PHIMTYICSA-N 1 0 315.381 0.142 20 70 DCIDRO CSC[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160681941 396075587 /nfs/dbraw/zinc/07/55/87/396075587.db2.gz QOHGZVOYFGZPOB-JSGCOSHPSA-N 1 0 301.456 0.884 20 70 DCIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCOCC1 ZINC000161038081 416010815 /nfs/dbraw/zinc/01/08/15/416010815.db2.gz APCBVMYBROBXAW-GFCCVEGCSA-N 1 0 319.405 0.806 20 70 DCIDRO CC1CC[NH+](C2CCC(NC(=O)Cn3cnnn3)CC2)CC1 ZINC000161461749 416013152 /nfs/dbraw/zinc/01/31/52/416013152.db2.gz WXZRWZWAFNCFLG-UHFFFAOYSA-N 1 0 306.414 0.832 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000160719386 277301170 /nfs/dbraw/zinc/30/11/70/277301170.db2.gz ZRQIKBYIQXOZMT-LBPRGKRZSA-N 1 0 302.378 0.899 20 70 DCIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000160492434 520718041 /nfs/dbraw/zinc/71/80/41/520718041.db2.gz WRKJWDGDCMZSNA-ZIAGYGMSSA-N 1 0 306.362 0.844 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000160695577 522500294 /nfs/dbraw/zinc/50/02/94/522500294.db2.gz QJEGFTJICQIOPE-LBPRGKRZSA-N 1 0 311.407 0.175 20 70 DCIDRO COc1ccc(C(=O)NCCNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161361845 523698820 /nfs/dbraw/zinc/69/88/20/523698820.db2.gz VCUVHANTUWAMAD-QGZVFWFLSA-N 1 0 319.405 0.931 20 70 DCIDRO CN(C)C(=O)c1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)ccc1F ZINC000160358727 524018979 /nfs/dbraw/zinc/01/89/79/524018979.db2.gz JHNNDKNPOMIJFO-LLVKDONJSA-N 1 0 309.341 0.845 20 70 DCIDRO COc1ccc(CN2C[C@H](C(=O)NCC(C)(C)[NH3+])CC2=O)cc1 ZINC000160118257 524041760 /nfs/dbraw/zinc/04/17/60/524041760.db2.gz DCSUASWISZFAHE-CYBMUJFWSA-N 1 0 319.405 0.897 20 70 DCIDRO C[C@@H](C(=O)N1CCC[NH2+]CC1)n1nnc(-c2ccccc2)n1 ZINC000160882153 524111719 /nfs/dbraw/zinc/11/17/19/524111719.db2.gz GJVIQQLLBXRNAY-LBPRGKRZSA-N 1 0 300.366 0.723 20 70 DCIDRO [NH3+]C1(CNC(=O)c2cnc3n(c2=O)CCS3)CCCCC1 ZINC000159743934 527132203 /nfs/dbraw/zinc/13/22/03/527132203.db2.gz FEVYWQRUXLKWDT-UHFFFAOYSA-N 1 0 308.407 0.740 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000160792488 545864273 /nfs/dbraw/zinc/86/42/73/545864273.db2.gz XLRVTMXXHQRETH-UWVGGRQHSA-N 1 0 315.395 0.496 20 70 DCIDRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000160792370 545864372 /nfs/dbraw/zinc/86/43/72/545864372.db2.gz XLRVTMXXHQRETH-VHSXEESVSA-N 1 0 315.395 0.496 20 70 DCIDRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160928243 545864981 /nfs/dbraw/zinc/86/49/81/545864981.db2.gz ZVMBCKYBZQHJNP-VXGBXAGGSA-N 1 0 311.407 0.594 20 70 DCIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865028 282259583 /nfs/dbraw/zinc/25/95/83/282259583.db2.gz VKLJUNJTVLGUEJ-AVGNSLFASA-N 1 0 317.455 0.736 20 70 DCIDRO C[NH2+]CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000159812930 529956461 /nfs/dbraw/zinc/95/64/61/529956461.db2.gz LJFAXITUQYZQBN-CQSZACIVSA-N 1 0 319.405 0.653 20 70 DCIDRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH3+])cc1C ZINC000160099546 237080185 /nfs/dbraw/zinc/08/01/85/237080185.db2.gz AGFSEPHDYUWXAK-UHFFFAOYSA-N 1 0 313.423 0.389 20 70 DCIDRO CCC(=O)N1CC[C@H](C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000160378330 291238055 /nfs/dbraw/zinc/23/80/55/291238055.db2.gz YIFHVWMZYUIKTP-ZDUSSCGKSA-N 1 0 311.426 0.472 20 70 DCIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000160129993 291237533 /nfs/dbraw/zinc/23/75/33/291237533.db2.gz MLORRHJIXKLTJX-NSHDSACASA-N 1 0 302.378 0.938 20 70 DCIDRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3C[NH3+])cc21 ZINC000160169077 396073186 /nfs/dbraw/zinc/07/31/86/396073186.db2.gz IVTCZVPBCYCDSE-CYBMUJFWSA-N 1 0 323.418 0.707 20 70 DCIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000160579225 396074398 /nfs/dbraw/zinc/07/43/98/396074398.db2.gz MPRHKCXPCSMDJQ-CJNGLKHVSA-N 1 0 320.389 0.789 20 70 DCIDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1 ZINC000160122666 158353147 /nfs/dbraw/zinc/35/31/47/158353147.db2.gz JMTNGCMQERXYFR-CYBMUJFWSA-N 1 0 323.418 0.578 20 70 DCIDRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[C@@H]([NH3+])C1)C2=O ZINC000160286706 158353964 /nfs/dbraw/zinc/35/39/64/158353964.db2.gz HNRQVNLYWMRSIM-UEKVPHQBSA-N 1 0 308.382 0.047 20 70 DCIDRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161012851 158356393 /nfs/dbraw/zinc/35/63/93/158356393.db2.gz HZKRCNDLYYRUAA-ZDUSSCGKSA-N 1 0 306.414 0.576 20 70 DCIDRO COCCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161391098 416012158 /nfs/dbraw/zinc/01/21/58/416012158.db2.gz KETIIOOQQGUKPB-UONOGXRCSA-N 1 0 304.456 0.606 20 70 DCIDRO NC(=O)COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160497314 534340548 /nfs/dbraw/zinc/34/05/48/534340548.db2.gz MBYNEZFXYXYAAH-BETUJISGSA-N 1 0 303.362 0.517 20 70 DCIDRO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)CC[NH2+]C)c1C ZINC000159685373 521366800 /nfs/dbraw/zinc/36/68/00/521366800.db2.gz XKPALQWWRXPRMP-UHFFFAOYSA-N 1 0 317.411 0.648 20 70 DCIDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)cc1 ZINC000159407078 522025312 /nfs/dbraw/zinc/02/53/12/522025312.db2.gz AGKCHYYIYHAIPO-RYUDHWBXSA-N 1 0 308.378 0.791 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000161323381 522086377 /nfs/dbraw/zinc/08/63/77/522086377.db2.gz JSJMLRGQGXQJQL-LLVKDONJSA-N 1 0 307.398 0.717 20 70 DCIDRO [NH3+]CCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000160046310 534611315 /nfs/dbraw/zinc/61/13/15/534611315.db2.gz XLHLCRUZKDENSJ-UHFFFAOYSA-N 1 0 321.349 0.098 20 70 DCIDRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160109545 522287161 /nfs/dbraw/zinc/28/71/61/522287161.db2.gz NSYITEUYGXSOMV-UHFFFAOYSA-N 1 0 319.814 0.715 20 70 DCIDRO CSCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1occc1C ZINC000161448085 525543231 /nfs/dbraw/zinc/54/32/31/525543231.db2.gz YTLQWAKJXQUXPX-LLVKDONJSA-N 1 0 313.423 0.905 20 70 DCIDRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H]1C[NH3+])C2=O ZINC000160201979 526139483 /nfs/dbraw/zinc/13/94/83/526139483.db2.gz OHFXSFJDZSWRQZ-NSHDSACASA-N 1 0 301.346 0.541 20 70 DCIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000160903854 545865014 /nfs/dbraw/zinc/86/50/14/545865014.db2.gz YGJGSJLITLEBDK-RYUDHWBXSA-N 1 0 315.377 0.568 20 70 DCIDRO O=C(Cc1cn2ccsc2n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160380166 237081253 /nfs/dbraw/zinc/08/12/53/237081253.db2.gz GRPBAGOLMSZXBA-ZDUSSCGKSA-N 1 0 322.434 0.901 20 70 DCIDRO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159445131 291234781 /nfs/dbraw/zinc/23/47/81/291234781.db2.gz JMGBSFMPFQGTDZ-HZSPNIEDSA-N 1 0 313.442 0.574 20 70 DCIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159950376 291236994 /nfs/dbraw/zinc/23/69/94/291236994.db2.gz RRMXCBJLDJHDMS-LBPRGKRZSA-N 1 0 310.379 0.214 20 70 DCIDRO CCC[C@H]1CN(C(=O)NCCNC(C)=O)CC[N@@H+]1CCOC ZINC000159794137 291236550 /nfs/dbraw/zinc/23/65/50/291236550.db2.gz HLBCQWGZMQGYHV-AWEZNQCLSA-N 1 0 314.430 0.265 20 70 DCIDRO CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000161382480 291241709 /nfs/dbraw/zinc/24/17/09/291241709.db2.gz WNCNHFHQOKZOCI-GJBLVYBDSA-N 1 0 302.378 0.665 20 70 DCIDRO CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160770223 396075424 /nfs/dbraw/zinc/07/54/24/396075424.db2.gz UWYKCCOAGHWCLD-ZIAGYGMSSA-N 1 0 308.426 0.638 20 70 DCIDRO COCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000160046774 158353524 /nfs/dbraw/zinc/35/35/24/158353524.db2.gz QIULXSUBUDXRIB-HIFRSBDPSA-N 1 0 313.442 0.900 20 70 DCIDRO CCC([NH3+])(CC)CNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000160510865 158354927 /nfs/dbraw/zinc/35/49/27/158354927.db2.gz MNXRFGIEZWXVFD-UHFFFAOYSA-N 1 0 302.382 0.974 20 70 DCIDRO Cc1ccc(F)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161438114 158357397 /nfs/dbraw/zinc/35/73/97/158357397.db2.gz PWCUHUSSPNBLHN-CYBMUJFWSA-N 1 0 304.387 0.725 20 70 DCIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000161251326 158357652 /nfs/dbraw/zinc/35/76/52/158357652.db2.gz FGULJEHVTUISKE-KBPBESRZSA-N 1 0 319.405 0.780 20 70 DCIDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000161481704 158357731 /nfs/dbraw/zinc/35/77/31/158357731.db2.gz SGPCODFVKPPQTO-CYBMUJFWSA-N 1 0 320.386 0.425 20 70 DCIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000160517257 416006712 /nfs/dbraw/zinc/00/67/12/416006712.db2.gz XVBYKNUDKWVMOE-QWRGUYRKSA-N 1 0 324.425 0.605 20 70 DCIDRO O=C(CNC(=O)c1ccccc1)NCC1CC[NH+](CCO)CC1 ZINC000160662071 416010076 /nfs/dbraw/zinc/01/00/76/416010076.db2.gz WHBXAAJWCGBJMP-UHFFFAOYSA-N 1 0 319.405 0.237 20 70 DCIDRO CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160578244 521688436 /nfs/dbraw/zinc/68/84/36/521688436.db2.gz IMHZTZIBCWEGIJ-ZDUSSCGKSA-N 1 0 310.419 0.843 20 70 DCIDRO CC[C@@H](C)C[N@H+](CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000160566807 521985043 /nfs/dbraw/zinc/98/50/43/521985043.db2.gz QZOAAALWDMTGCM-GFCCVEGCSA-N 1 0 321.425 0.802 20 70 DCIDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)COc1ccccc1 ZINC000161298025 522086174 /nfs/dbraw/zinc/08/61/74/522086174.db2.gz AMIVDCKNZWRELW-CYBMUJFWSA-N 1 0 305.378 0.392 20 70 DCIDRO C[N@H+](Cc1cc(=O)oc2cc(O)ccc12)CC(C)(CO)CO ZINC000159579253 523165497 /nfs/dbraw/zinc/16/54/97/523165497.db2.gz LTULZPGGJRFPMQ-UHFFFAOYSA-N 1 0 307.346 0.921 20 70 DCIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159556254 525546774 /nfs/dbraw/zinc/54/67/74/525546774.db2.gz KJHLFXRFUMUDNZ-OLZOCXBDSA-N 1 0 307.419 0.989 20 70 DCIDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161325707 526565402 /nfs/dbraw/zinc/56/54/02/526565402.db2.gz IPYIGVIVOYHCOS-HRCADAONSA-N 1 0 304.390 0.775 20 70 DCIDRO NC(=O)NC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000160169611 526928998 /nfs/dbraw/zinc/92/89/98/526928998.db2.gz JDMGTTCRQZKLAP-CQSZACIVSA-N 1 0 316.405 0.968 20 70 DCIDRO CC(C)CCn1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nn1 ZINC000160262530 527878076 /nfs/dbraw/zinc/87/80/76/527878076.db2.gz BDROHXZGLWVBAC-CQSZACIVSA-N 1 0 323.441 0.901 20 70 DCIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000161354800 545866047 /nfs/dbraw/zinc/86/60/47/545866047.db2.gz PJNXVUSYTOLWCM-GHMZBOCLSA-N 1 0 301.350 0.178 20 70 DCIDRO CN(C)c1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160096499 529813823 /nfs/dbraw/zinc/81/38/23/529813823.db2.gz AUROBPDRQJPASU-CYBMUJFWSA-N 1 0 306.410 0.724 20 70 DCIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000159455037 237077066 /nfs/dbraw/zinc/07/70/66/237077066.db2.gz USYJIDWONMBQDC-KBPBESRZSA-N 1 0 313.442 0.948 20 70 DCIDRO C[C@H]1OCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000160069265 291237627 /nfs/dbraw/zinc/23/76/27/291237627.db2.gz FMYJXJWJSKTHTO-LSDHHAIUSA-N 1 0 312.458 0.833 20 70 DCIDRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3C[NH3+])cc21 ZINC000160169198 396073197 /nfs/dbraw/zinc/07/31/97/396073197.db2.gz IVTCZVPBCYCDSE-ZDUSSCGKSA-N 1 0 323.418 0.707 20 70 DCIDRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000159639979 396069149 /nfs/dbraw/zinc/06/91/49/396069149.db2.gz KYDDXPFRNMJMHR-NWDGAFQWSA-N 1 0 319.471 0.728 20 70 DCIDRO Cn1cnc2cc(C(=O)Nc3ccn(CC[NH+](C)C)n3)cnc21 ZINC000159755205 396070107 /nfs/dbraw/zinc/07/01/07/396070107.db2.gz YQRYNRICFXCZFS-UHFFFAOYSA-N 1 0 313.365 0.979 20 70 DCIDRO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159697354 396070584 /nfs/dbraw/zinc/07/05/84/396070584.db2.gz BBGJBSVKHAEPLH-IUCAKERBSA-N 1 0 311.304 0.467 20 70 DCIDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCCOC[C@@H]1CCOC1 ZINC000160585125 396074174 /nfs/dbraw/zinc/07/41/74/396074174.db2.gz URQSRUDPPOHZQP-KBPBESRZSA-N 1 0 300.399 0.314 20 70 DCIDRO CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161390205 396076111 /nfs/dbraw/zinc/07/61/11/396076111.db2.gz CPUYJSFGQKDVCR-CYBMUJFWSA-N 1 0 319.409 0.826 20 70 DCIDRO CNC(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159566653 158352890 /nfs/dbraw/zinc/35/28/90/158352890.db2.gz RWURHPVZOSNNFZ-HIFRSBDPSA-N 1 0 318.421 0.942 20 70 DCIDRO [NH3+][C@@H]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1 ZINC000160198922 158352922 /nfs/dbraw/zinc/35/29/22/158352922.db2.gz OEPWVNULKHMNPB-OAHLLOKOSA-N 1 0 316.405 0.704 20 70 DCIDRO COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159957577 158353314 /nfs/dbraw/zinc/35/33/14/158353314.db2.gz AKCDCHATMGLCRK-SECBINFHSA-N 1 0 318.420 0.893 20 70 DCIDRO CN(CCN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160832974 158355593 /nfs/dbraw/zinc/35/55/93/158355593.db2.gz LCYVQUIURPCXTB-OAHLLOKOSA-N 1 0 324.469 0.977 20 70 DCIDRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH2+]CC2)cc1 ZINC000159418076 534208515 /nfs/dbraw/zinc/20/85/15/534208515.db2.gz VGTMIQXOOUQJBE-UHFFFAOYSA-N 1 0 311.407 0.095 20 70 DCIDRO CC(C)n1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000161428165 519968364 /nfs/dbraw/zinc/96/83/64/519968364.db2.gz RBKKFBYEMVLZIG-LBPRGKRZSA-N 1 0 304.416 0.055 20 70 DCIDRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159913309 522151938 /nfs/dbraw/zinc/15/19/38/522151938.db2.gz VKVYSLBBXCJYNX-ZDUSSCGKSA-N 1 0 312.391 0.831 20 70 DCIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160996823 522296802 /nfs/dbraw/zinc/29/68/02/522296802.db2.gz KALYBXGUABVFHZ-LLVKDONJSA-N 1 0 313.423 0.770 20 70 DCIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C1 ZINC000160812346 522502323 /nfs/dbraw/zinc/50/23/23/522502323.db2.gz QQSFCLCXQYVXKX-JTQLQIEISA-N 1 0 315.395 0.272 20 70 DCIDRO CCn1cc(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)cn1 ZINC000160298005 523316556 /nfs/dbraw/zinc/31/65/56/523316556.db2.gz NNTXAOQSPLFIKP-UHFFFAOYSA-N 1 0 308.382 0.313 20 70 DCIDRO CC[C@H](C)C[N@H+](CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000160566935 523878571 /nfs/dbraw/zinc/87/85/71/523878571.db2.gz QZOAAALWDMTGCM-LBPRGKRZSA-N 1 0 321.425 0.802 20 70 DCIDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000160397241 524116382 /nfs/dbraw/zinc/11/63/82/524116382.db2.gz OBGDNFVQELPSPR-WCQYABFASA-N 1 0 300.366 0.851 20 70 DCIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159555985 525546570 /nfs/dbraw/zinc/54/65/70/525546570.db2.gz KJHLFXRFUMUDNZ-CHWSQXEVSA-N 1 0 307.419 0.989 20 70 DCIDRO Cc1c(NC(=O)C(=O)NCC[NH+](C)C)cnn1-c1ccccc1 ZINC000161130532 525827915 /nfs/dbraw/zinc/82/79/15/525827915.db2.gz WXHVIOPRBHDTOF-UHFFFAOYSA-N 1 0 315.377 0.797 20 70 DCIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000161130912 526238919 /nfs/dbraw/zinc/23/89/19/526238919.db2.gz WPJUHLJNQMQCHE-IUODEOHRSA-N 1 0 308.378 0.957 20 70 DCIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000160390002 526691301 /nfs/dbraw/zinc/69/13/01/526691301.db2.gz XGHXRAUBFVECGJ-AEGPPILISA-N 1 0 320.364 0.970 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000161171909 545864783 /nfs/dbraw/zinc/86/47/83/545864783.db2.gz ZQRUBUSSXPGVHD-OLZOCXBDSA-N 1 0 305.378 0.568 20 70 DCIDRO C[C@H]1Cc2cc(C(=O)NCCC[NH3+])ccc2N1S(C)(=O)=O ZINC000160122561 237082216 /nfs/dbraw/zinc/08/22/16/237082216.db2.gz QDGDEJKFNQUHGG-JTQLQIEISA-N 1 0 311.407 0.476 20 70 DCIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000160129855 291237667 /nfs/dbraw/zinc/23/76/67/291237667.db2.gz MLORRHJIXKLTJX-LLVKDONJSA-N 1 0 302.378 0.938 20 70 DCIDRO CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000160992257 291239717 /nfs/dbraw/zinc/23/97/17/291239717.db2.gz JWPUYMVRFFSOGX-ZDUSSCGKSA-N 1 0 324.425 0.555 20 70 DCIDRO COCC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000159806477 396071072 /nfs/dbraw/zinc/07/10/72/396071072.db2.gz BLYORFQWVBXOCZ-ZDUSSCGKSA-N 1 0 311.426 0.424 20 70 DCIDRO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(=O)n(C)c1=O ZINC000159667034 396069404 /nfs/dbraw/zinc/06/94/04/396069404.db2.gz YTZBOTWZWMURPP-QWRGUYRKSA-N 1 0 320.393 0.113 20 70 DCIDRO CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160637461 396074124 /nfs/dbraw/zinc/07/41/24/396074124.db2.gz DDTKIIIAGSYBRM-HUUCEWRRSA-N 1 0 313.442 0.803 20 70 DCIDRO O=C([C@H]1CC[NH2+]C1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161012806 158355736 /nfs/dbraw/zinc/35/57/36/158355736.db2.gz BWJRYMUMGZRNBD-ZDUSSCGKSA-N 1 0 305.353 0.606 20 70 DCIDRO CCCN(C)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161442426 158357691 /nfs/dbraw/zinc/35/76/91/158357691.db2.gz WTDRWUHBBUOPSE-CYBMUJFWSA-N 1 0 321.487 0.598 20 70 DCIDRO COC[C@@H](O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160924379 416010891 /nfs/dbraw/zinc/01/08/91/416010891.db2.gz NHQZNPKNFBPUEY-KGLIPLIRSA-N 1 0 301.431 0.803 20 70 DCIDRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160962394 288815155 /nfs/dbraw/zinc/81/51/55/288815155.db2.gz WWMZGQPNYOLVKB-JHJVBQTASA-N 1 0 318.439 0.179 20 70 DCIDRO CC(C)([NH3+])CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000159959411 519301527 /nfs/dbraw/zinc/30/15/27/519301527.db2.gz IDQKPCVASACPMZ-UHFFFAOYSA-N 1 0 304.325 0.839 20 70 DCIDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160405443 520225316 /nfs/dbraw/zinc/22/53/16/520225316.db2.gz XTVDJNKIMSVMQE-UHFFFAOYSA-N 1 0 309.414 0.936 20 70 DCIDRO CNC(=O)COc1cccc(CC(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000161169234 524075106 /nfs/dbraw/zinc/07/51/06/524075106.db2.gz QGKWGLPAFLPZQA-UHFFFAOYSA-N 1 0 321.421 0.810 20 70 DCIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000160854103 545865335 /nfs/dbraw/zinc/86/53/35/545865335.db2.gz CANOKQYUASNXTH-OLZOCXBDSA-N 1 0 317.455 0.578 20 70 DCIDRO