smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571088188 398178378 /nfs/dbraw/zinc/17/83/78/398178378.db2.gz QMVHZSDIGLDPIW-QWHCGFSZSA-N 2 0 232.371 2.836 20 30 BFEDRP C=CCC[NH+](C)[C@H](C)CC[N@H+](C)CCC=C ZINC000276400422 538932206 /nfs/dbraw/zinc/93/22/06/538932206.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 2 0 224.392 2.781 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344290826 365677014 /nfs/dbraw/zinc/67/70/14/365677014.db2.gz CVQGVIJZTAGCAX-ZNMIVQPWSA-N 2 0 236.403 2.948 20 30 BFEDRP C=C(CC)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000313489389 259335669 /nfs/dbraw/zinc/33/56/69/259335669.db2.gz RUGRIOHXBUSXBU-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000625704709 344049531 /nfs/dbraw/zinc/04/95/31/344049531.db2.gz ZXTXKPRATLYGTD-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000570827306 323071868 /nfs/dbraw/zinc/07/18/68/323071868.db2.gz QAWNNJMIVDRVFN-OLZOCXBDSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000583451517 344999235 /nfs/dbraw/zinc/99/92/35/344999235.db2.gz XOLWWRUTYNRWSJ-HIFRSBDPSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000635024221 345224625 /nfs/dbraw/zinc/22/46/25/345224625.db2.gz UNRUWSZCHZXIJJ-RYUDHWBXSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005273 345209459 /nfs/dbraw/zinc/20/94/59/345209459.db2.gz ITLBVXNHXADXCW-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635005801 345209588 /nfs/dbraw/zinc/20/95/88/345209588.db2.gz KDABESOVUUDKOH-HOCLYGCPSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008335 345216153 /nfs/dbraw/zinc/21/61/53/345216153.db2.gz SRMJPWLZTGHUQK-CRWXNKLISA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635016508 345221559 /nfs/dbraw/zinc/22/15/59/345221559.db2.gz CGEPWIYXSCRWMS-UONOGXRCSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000309620029 347124320 /nfs/dbraw/zinc/12/43/20/347124320.db2.gz DAHOJKDMXYBVIV-CYBMUJFWSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309715267 347146803 /nfs/dbraw/zinc/14/68/03/347146803.db2.gz SODZJGPMYLGZGC-BFHYXJOUSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322683886 259397909 /nfs/dbraw/zinc/39/79/09/259397909.db2.gz HOUAJDZMIVDBTP-FUDCBSFHSA-N 2 0 222.376 2.556 20 30 BFEDRP C=CC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000118979579 348189796 /nfs/dbraw/zinc/18/97/96/348189796.db2.gz AXNSKGHQXGVYMM-UHFFFAOYSA-N 2 0 232.371 2.673 20 30 BFEDRP C=C(C)C[N@H+](CC)CCC[NH+]1CCCCC1 ZINC000161253913 349416454 /nfs/dbraw/zinc/41/64/54/349416454.db2.gz HLHYHLCDXONPCF-UHFFFAOYSA-N 2 0 224.392 2.760 20 30 BFEDRP C=CCCCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000577577723 366000042 /nfs/dbraw/zinc/00/00/42/366000042.db2.gz CDQHKFKECSQLRT-UHFFFAOYSA-N 2 0 233.359 2.945 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336776173 353460921 /nfs/dbraw/zinc/46/09/21/353460921.db2.gz DYSXMBDOUNRRHF-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336776174 353461259 /nfs/dbraw/zinc/46/12/59/353461259.db2.gz DYSXMBDOUNRRHF-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C#C[C@H]([NH2+]CCCc1cnccc1C)C(C)C ZINC000289619281 353622562 /nfs/dbraw/zinc/62/25/62/353622562.db2.gz WGNJIJDYYMQNTI-HNNXBMFYSA-N 2 0 230.355 2.570 20 30 BFEDRP C=CCSCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000231932919 353674240 /nfs/dbraw/zinc/67/42/40/353674240.db2.gz OYAGGCNVIXOVBE-UONOGXRCSA-N 2 0 248.395 2.640 20 30 BFEDRP CC1(C#N)CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000335147354 354861108 /nfs/dbraw/zinc/86/11/08/354861108.db2.gz TXOQOTVUUARCMD-JLVJUDLZSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414849024 191600184 /nfs/dbraw/zinc/60/01/84/191600184.db2.gz WZMWZDQYKSOSPQ-GFCCVEGCSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423021038 192543017 /nfs/dbraw/zinc/54/30/17/192543017.db2.gz BAOBBUPEDUTMAS-HSBZDZAISA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000126768013 358554487 /nfs/dbraw/zinc/55/44/87/358554487.db2.gz VVMWZLSEULBMBL-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000126767780 358554537 /nfs/dbraw/zinc/55/45/37/358554537.db2.gz VVMWZLSEULBMBL-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP CC#CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014767 359183842 /nfs/dbraw/zinc/18/38/42/359183842.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)CCC[NH3+] ZINC000423451981 192774302 /nfs/dbraw/zinc/77/43/02/192774302.db2.gz JERCVRPSCNJVDD-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000629509677 361103426 /nfs/dbraw/zinc/10/34/26/361103426.db2.gz HFPBPKAWRIAEBT-GFCCVEGCSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629509699 361103575 /nfs/dbraw/zinc/10/35/75/361103575.db2.gz IJPKHTDWDLMFFM-HZSPNIEDSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629515336 361112970 /nfs/dbraw/zinc/11/29/70/361112970.db2.gz OSCIVJZUFZIMBK-UONOGXRCSA-N 2 0 236.403 2.996 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000310025910 491160302 /nfs/dbraw/zinc/16/03/02/491160302.db2.gz PFYVTTMONXIJEP-OCCSQVGLSA-N 2 0 224.392 2.661 20 30 BFEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695921 367140052 /nfs/dbraw/zinc/14/00/52/367140052.db2.gz BHQNFUPNAQPDFV-KBPBESRZSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386376383 367958783 /nfs/dbraw/zinc/95/87/83/367958783.db2.gz CFLRAPZJKQOLKL-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000386677383 368009940 /nfs/dbraw/zinc/00/99/40/368009940.db2.gz HLSBSMSDNUXYAB-KGLIPLIRSA-N 2 0 216.328 2.687 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000386812304 368024591 /nfs/dbraw/zinc/02/45/91/368024591.db2.gz RYTKEHLHLNLDOV-RBSFLKMASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643547853 384038627 /nfs/dbraw/zinc/03/86/27/384038627.db2.gz JTHHNQRRLGGHIS-HUUCEWRRSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423376932 384848060 /nfs/dbraw/zinc/84/80/60/384848060.db2.gz JKOFELMWHDDURV-AGIUHOORSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161049688 384950780 /nfs/dbraw/zinc/95/07/80/384950780.db2.gz HSNWCCHVMGNLMY-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP N#CCCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157495299 385197781 /nfs/dbraw/zinc/19/77/81/385197781.db2.gz MITZZPBHSBJFAC-OAHLLOKOSA-N 2 0 249.402 2.631 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CC1 ZINC000119782368 387146586 /nfs/dbraw/zinc/14/65/86/387146586.db2.gz OQHDQOKWLOQTOU-CQSZACIVSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353243 387205446 /nfs/dbraw/zinc/20/54/46/387205446.db2.gz CZPSBXACOSJMDZ-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423386755 387271435 /nfs/dbraw/zinc/27/14/35/387271435.db2.gz RPUZMNCOCKRBHV-IHRRRGAJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508153 387477821 /nfs/dbraw/zinc/47/78/21/387477821.db2.gz PDKZKKPXKBVJFL-OLZOCXBDSA-N 2 0 212.381 2.565 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527927994 387793593 /nfs/dbraw/zinc/79/35/93/387793593.db2.gz SPEJQLFNXONKSW-KGLIPLIRSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422999396 387805578 /nfs/dbraw/zinc/80/55/78/387805578.db2.gz SMBYENOJVJRRQD-CZUORRHYSA-N 2 0 244.382 2.891 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423012637 387835132 /nfs/dbraw/zinc/83/51/32/387835132.db2.gz DIJYLWMGHGWTJD-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442781919 387838827 /nfs/dbraw/zinc/83/88/27/387838827.db2.gz OXTUWYGOVJIDDR-SOUVJXGZSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534335 387852361 /nfs/dbraw/zinc/85/23/61/387852361.db2.gz RHHZTUBTNCGTEM-ZIAGYGMSSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535308 387862604 /nfs/dbraw/zinc/86/26/04/387862604.db2.gz BDTANGMVVYOIPJ-KBPBESRZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423129811 387907159 /nfs/dbraw/zinc/90/71/59/387907159.db2.gz FPRQIFQZOHXOHP-OLZOCXBDSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423136838 387913688 /nfs/dbraw/zinc/91/36/88/387913688.db2.gz PSRFLTLOTGPHAC-UHFFFAOYSA-N 2 0 224.392 2.696 20 30 BFEDRP C=C(C)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423150592 387929477 /nfs/dbraw/zinc/92/94/77/387929477.db2.gz JCIFHXYXNGFQBI-DZGCQCFKSA-N 2 0 232.371 2.501 20 30 BFEDRP C=C(CC)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423154549 387935291 /nfs/dbraw/zinc/93/52/91/387935291.db2.gz JQGDDUSJAJZUFN-DZGCQCFKSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423168844 387954370 /nfs/dbraw/zinc/95/43/70/387954370.db2.gz YVWHIYRYDYFPOU-KBPBESRZSA-N 2 0 236.403 2.853 20 30 BFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424366812 387992364 /nfs/dbraw/zinc/99/23/64/387992364.db2.gz JTAPCZHLFIJFRV-LXTVHRRPSA-N 2 0 249.402 2.579 20 30 BFEDRP C=CCC[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000423213305 387996016 /nfs/dbraw/zinc/99/60/16/387996016.db2.gz JPLLLHVMYJLQGM-JXQTWKCFSA-N 2 0 222.376 2.591 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423214684 387996906 /nfs/dbraw/zinc/99/69/06/387996906.db2.gz LUGLLTWPQDVCJH-MJBXVCDLSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccco1 ZINC000423223673 388005338 /nfs/dbraw/zinc/00/53/38/388005338.db2.gz HBVCQWVNAQFHTA-RYUDHWBXSA-N 2 0 222.332 2.614 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252808 388035217 /nfs/dbraw/zinc/03/52/17/388035217.db2.gz UUPLPBJMEISURN-ZIAGYGMSSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277375 388058548 /nfs/dbraw/zinc/05/85/48/388058548.db2.gz PLLOZXTVUYFNAB-QWHCGFSZSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H](C)C[NH2+]C ZINC000423282287 388065678 /nfs/dbraw/zinc/06/56/78/388065678.db2.gz WKEFBFBYSUOBMO-OLZOCXBDSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H](C)C[NH2+]C ZINC000423282285 388066073 /nfs/dbraw/zinc/06/60/73/388066073.db2.gz WKEFBFBYSUOBMO-CHWSQXEVSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336667966 388461292 /nfs/dbraw/zinc/46/12/92/388461292.db2.gz QPJAKJLOQDLXME-ZIAGYGMSSA-N 2 0 222.376 2.559 20 30 BFEDRP CC[C@@H](NC[C@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000423279834 388689336 /nfs/dbraw/zinc/68/93/36/388689336.db2.gz SPUQQSXJEBXGQH-LSDHHAIUSA-N 2 0 245.370 2.582 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248989999 388702965 /nfs/dbraw/zinc/70/29/65/388702965.db2.gz NBMBYIBWKYRVGL-ZQDZILKHSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000565520933 388950817 /nfs/dbraw/zinc/95/08/17/388950817.db2.gz LOLCGZFUAJGYFM-UHFFFAOYSA-N 2 0 224.392 2.760 20 30 BFEDRP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361239889 134204306 /nfs/dbraw/zinc/20/43/06/134204306.db2.gz AILCJAHNAMVECK-MRXNPFEDSA-N 2 0 248.414 2.598 20 30 BFEDRP CC#CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122080560 134237289 /nfs/dbraw/zinc/23/72/89/134237289.db2.gz VNKSYRVCYNKUOU-UHFFFAOYSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720232 410358525 /nfs/dbraw/zinc/35/85/25/410358525.db2.gz IZTPGBVXSNVDMM-ZDUSSCGKSA-N 2 0 232.371 2.850 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764428 410414095 /nfs/dbraw/zinc/41/40/95/410414095.db2.gz YIKGNPUGDHKAKC-QWHCGFSZSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000096034247 166293819 /nfs/dbraw/zinc/29/38/19/166293819.db2.gz GKRDUFVJLSDRGH-GFCCVEGCSA-N 2 0 212.381 2.519 20 30 BFEDRP C=CC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000661382128 410597154 /nfs/dbraw/zinc/59/71/54/410597154.db2.gz SKRQBZIWPIZSEL-CABCVRRESA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665230289 410724508 /nfs/dbraw/zinc/72/45/08/410724508.db2.gz MDGQRPVDSXHPEC-TUVASFSCSA-N 2 0 236.403 2.981 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000651706111 411137224 /nfs/dbraw/zinc/13/72/24/411137224.db2.gz SVCDMIZRRYBPJP-HZSPNIEDSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939223 411174776 /nfs/dbraw/zinc/17/47/76/411174776.db2.gz WAWFMMAROZGQSG-CVEARBPZSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CCCCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000656201141 411205807 /nfs/dbraw/zinc/20/58/07/411205807.db2.gz TVKQQSAKHGZJRT-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000656792636 411372882 /nfs/dbraw/zinc/37/28/82/411372882.db2.gz UTWISLCOKMMYKW-KBPBESRZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)n1C ZINC000657529856 411544341 /nfs/dbraw/zinc/54/43/41/411544341.db2.gz JNNXNUYLVJIHLC-HIFRSBDPSA-N 2 0 247.386 2.953 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663507463 411689930 /nfs/dbraw/zinc/68/99/30/411689930.db2.gz PWGHOSKVTQGCTM-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665230687 412168755 /nfs/dbraw/zinc/16/87/55/412168755.db2.gz UDJAEUVABUCVOA-TUVASFSCSA-N 2 0 236.403 2.851 20 30 BFEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000045663305 175875174 /nfs/dbraw/zinc/87/51/74/175875174.db2.gz FXKSWXZSWJLBSK-CYBMUJFWSA-N 2 0 245.370 2.551 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000384861555 487751017 /nfs/dbraw/zinc/75/10/17/487751017.db2.gz OLIAQNWKXJUVCL-LBPRGKRZSA-N 2 0 224.392 2.519 20 30 BFEDRP C=C(CC)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000358513773 534398664 /nfs/dbraw/zinc/39/86/64/534398664.db2.gz VFUKRTQFMALORF-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354226541 534711565 /nfs/dbraw/zinc/71/15/65/534711565.db2.gz WOCMQRKKJRHYHP-UONOGXRCSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000304189233 534733705 /nfs/dbraw/zinc/73/37/05/534733705.db2.gz ABUNZUKMROMMTJ-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP CCCCCCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000111221311 582980118 /nfs/dbraw/zinc/98/01/18/582980118.db2.gz ODNCFUYHPQFDPL-GFCCVEGCSA-N 2 0 200.370 2.626 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293636 583639895 /nfs/dbraw/zinc/63/98/95/583639895.db2.gz IJXYGYNQDKLGTN-STQMWFEESA-N 2 0 212.381 2.661 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000873281074 584128820 /nfs/dbraw/zinc/12/88/20/584128820.db2.gz XGOTUWMEPIJFKO-ZIAGYGMSSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374702 584567126 /nfs/dbraw/zinc/56/71/26/584567126.db2.gz PBVSUPWWGOUHLB-ZDUSSCGKSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466216 584614106 /nfs/dbraw/zinc/61/41/06/584614106.db2.gz KBTIEHCMEOSDSP-APIJFGDWSA-N 2 0 236.403 2.994 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccco1 ZINC000902486568 584626157 /nfs/dbraw/zinc/62/61/57/584626157.db2.gz QUOXLPPRDDNRDY-AVGNSLFASA-N 2 0 234.343 2.614 20 30 BFEDRP C[C@@]1(C[NH3+])CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747217 584794521 /nfs/dbraw/zinc/79/45/21/584794521.db2.gz PSZWJVILIFBBJS-AWEZNQCLSA-N 2 0 249.402 2.521 20 30 BFEDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903768834 584798056 /nfs/dbraw/zinc/79/80/56/584798056.db2.gz SBFJATQAXHIVIA-KBPBESRZSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCCC[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000903850614 584808263 /nfs/dbraw/zinc/80/82/63/584808263.db2.gz VVGJIBOLKRIAIF-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=C[C@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914042 584822337 /nfs/dbraw/zinc/82/23/37/584822337.db2.gz SXKZWJGIIBYAIB-DKUMPPAJSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000786579831 585895286 /nfs/dbraw/zinc/89/52/86/585895286.db2.gz UANFEZVIOALYEF-UHFFFAOYSA-N 2 0 232.371 2.756 20 30 BFEDRP CCCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000116927268 589058521 /nfs/dbraw/zinc/05/85/21/589058521.db2.gz QFVYABBPZQTUIK-GASCZTMLSA-N 2 0 238.419 2.888 20 30 BFEDRP C[NH+](C)C1CCC(/N=C\c2ccccc2O)CC1 ZINC000817708117 586818481 /nfs/dbraw/zinc/81/84/81/586818481.db2.gz TYNJIPMMPRJDHP-WJDWOHSUSA-N 2 0 246.354 2.684 20 30 BFEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817933006 586842834 /nfs/dbraw/zinc/84/28/34/586842834.db2.gz ZHOWFEVYBBHUQY-ZIAGYGMSSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000817937179 586844273 /nfs/dbraw/zinc/84/42/73/586844273.db2.gz UMHMPVFMCDDZPB-ZDUSSCGKSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000817953504 586849222 /nfs/dbraw/zinc/84/92/22/586849222.db2.gz PZVBEIHQSDVPMH-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000848716875 588407806 /nfs/dbraw/zinc/40/78/06/588407806.db2.gz KKTNBHRVEYKFJT-KKUMJFAQSA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000863541240 589297167 /nfs/dbraw/zinc/29/71/67/589297167.db2.gz YWXLAMOWIGFFFU-UONOGXRCSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000863541241 589297444 /nfs/dbraw/zinc/29/74/44/589297444.db2.gz YWXLAMOWIGFFFU-ZIAGYGMSSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703279 589513851 /nfs/dbraw/zinc/51/38/51/589513851.db2.gz HWXYPUMJUIAKFS-CQSZACIVSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271324 590016446 /nfs/dbraw/zinc/01/64/46/590016446.db2.gz GVTIUQRAGQXEMK-AGIUHOORSA-N 2 0 224.392 2.565 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000125501282 590166519 /nfs/dbraw/zinc/16/65/19/590166519.db2.gz JUFAVMQQOAZGDW-CHWSQXEVSA-N 2 0 212.381 2.626 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876936230 590258891 /nfs/dbraw/zinc/25/88/91/590258891.db2.gz TUNKGLZLAZVBHO-HZPDHXFCSA-N 2 0 248.414 2.787 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000876943297 590259318 /nfs/dbraw/zinc/25/93/18/590259318.db2.gz OZCLZHMZQAGFSV-OAHLLOKOSA-N 2 0 236.403 2.502 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000877026553 590271204 /nfs/dbraw/zinc/27/12/04/590271204.db2.gz BYSWBWXINRAGFV-HNNXBMFYSA-N 2 0 236.403 2.502 20 30 BFEDRP C#CCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000877546327 590353509 /nfs/dbraw/zinc/35/35/09/590353509.db2.gz QOFWYIKKLILOFI-MRXNPFEDSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000877988336 590466382 /nfs/dbraw/zinc/46/63/82/590466382.db2.gz DIOLBGQFVMBJIG-CYBMUJFWSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746673 590618258 /nfs/dbraw/zinc/61/82/58/590618258.db2.gz BTRQWEQHAIZWGO-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203672 590713691 /nfs/dbraw/zinc/71/36/91/590713691.db2.gz SVYHCRRXTAZVEZ-CQSZACIVSA-N 2 0 236.403 2.901 20 30 BFEDRP C=C(C)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249799 590721676 /nfs/dbraw/zinc/72/16/76/590721676.db2.gz BQQCLXQAFIMQJY-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000879286142 590729304 /nfs/dbraw/zinc/72/93/04/590729304.db2.gz LGOCUHSIFYCQLZ-ZDUSSCGKSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260133 590980874 /nfs/dbraw/zinc/98/08/74/590980874.db2.gz BGBCAUMLCPFRBG-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129031020 591208131 /nfs/dbraw/zinc/20/81/31/591208131.db2.gz FWIZURZHNFLWNO-QWHCGFSZSA-N 2 0 212.381 2.768 20 30 BFEDRP CC1([NH+]2CCCC2)CCC([NH2+]CCCC#N)CC1 ZINC000886588595 592271157 /nfs/dbraw/zinc/27/11/57/592271157.db2.gz VQWIHIGUPQOJLJ-UHFFFAOYSA-N 2 0 249.402 2.677 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925714273 634427556 /nfs/dbraw/zinc/42/75/56/634427556.db2.gz OZXKZXAEDGKCGQ-ILXRZTDVSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925714274 634427824 /nfs/dbraw/zinc/42/78/24/634427824.db2.gz OZXKZXAEDGKCGQ-KFWWJZLASA-N 2 0 248.414 2.996 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925835905 635491655 /nfs/dbraw/zinc/49/16/55/635491655.db2.gz VBMRUOUJRIQOHB-AWEZNQCLSA-N 2 0 234.387 2.607 20 30 BFEDRP C=CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926682680 632816505 /nfs/dbraw/zinc/81/65/05/632816505.db2.gz DISCTCIYLWNGNM-ZDUSSCGKSA-N 2 0 232.371 2.975 20 30 BFEDRP C#CC[N@@H+](CCC[NH+](CC)CC)C1CCCC1 ZINC000191807340 636048388 /nfs/dbraw/zinc/04/83/88/636048388.db2.gz OHZFHMKCJUOXAY-UHFFFAOYSA-N 2 0 236.403 2.596 20 30 BFEDRP CCCCCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309775164 634004836 /nfs/dbraw/zinc/00/48/36/634004836.db2.gz LMYXDAOQBVDPKM-UHFFFAOYSA-N 2 0 212.381 2.770 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701671 634376694 /nfs/dbraw/zinc/37/66/94/634376694.db2.gz CYTIWZLIZXOJRE-CHWSQXEVSA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801125 635348751 /nfs/dbraw/zinc/34/87/51/635348751.db2.gz UPQMFBTYMVHJRL-RBSFLKMASA-N 2 0 238.419 2.957 20 30 BFEDRP C#CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000931620166 640288688 /nfs/dbraw/zinc/28/86/88/640288688.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000168575938 640815923 /nfs/dbraw/zinc/81/59/23/640815923.db2.gz NZPXBVZREAZUCL-UHFFFAOYSA-N 2 0 244.382 2.729 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303620665 644833614 /nfs/dbraw/zinc/83/36/14/644833614.db2.gz JJHIUSYHOVOCHP-CQSZACIVSA-N 2 0 224.392 2.642 20 30 BFEDRP N#CCCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925609352 646360556 /nfs/dbraw/zinc/36/05/56/646360556.db2.gz TXFJIPLAGKKMKW-HNNXBMFYSA-N 2 0 245.370 2.750 20 30 BFEDRP C=C(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925637229 646379836 /nfs/dbraw/zinc/37/98/36/646379836.db2.gz YVPQXACAYBLMFM-CABCVRRESA-N 2 0 242.366 2.559 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925643538 646385361 /nfs/dbraw/zinc/38/53/61/646385361.db2.gz WMOUPACPTJXVTB-ZDUSSCGKSA-N 2 0 222.376 2.607 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925683202 646411943 /nfs/dbraw/zinc/41/19/43/646411943.db2.gz MHXOJPPHBRBEGK-RYUDHWBXSA-N 2 0 224.392 2.694 20 30 BFEDRP C=C(CC)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693837 646419907 /nfs/dbraw/zinc/41/99/07/646419907.db2.gz SGNZXBDTYGZSKN-GJZGRUSLSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738675 646460998 /nfs/dbraw/zinc/46/09/98/646460998.db2.gz SGMKDTUYKNEPJN-GFCCVEGCSA-N 2 0 212.381 2.838 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925829699 646500015 /nfs/dbraw/zinc/50/00/15/646500015.db2.gz AUSCOOJMMUJNKT-ZFWWWQNUSA-N 2 0 236.403 2.711 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000724444570 711580935 /nfs/dbraw/zinc/58/09/35/711580935.db2.gz FZTNZTKDYYOSSS-UONOGXRCSA-N 2 0 234.387 2.592 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000724446209 711581051 /nfs/dbraw/zinc/58/10/51/711581051.db2.gz DVKZWZQGCIITBM-HRCADAONSA-N 2 0 248.414 2.711 20 30 BFEDRP C=CC(C)(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000701867034 712030892 /nfs/dbraw/zinc/03/08/92/712030892.db2.gz JZBSPLWTJMWNBH-UHFFFAOYSA-N 2 0 224.392 2.520 20 30 BFEDRP C=CC[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703688530 712083656 /nfs/dbraw/zinc/08/36/56/712083656.db2.gz CQRAHBSAKFYGBA-HNSVSWJLSA-N 2 0 248.414 2.805 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000703727432 712086238 /nfs/dbraw/zinc/08/62/38/712086238.db2.gz NCEAJCNRYXBOHD-CHWSQXEVSA-N 2 0 212.381 2.816 20 30 BFEDRP C=CC1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000706639746 712151981 /nfs/dbraw/zinc/15/19/81/712151981.db2.gz GXPNNQMDKBYWJX-UHFFFAOYSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CC[N@@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167837176 961213182 /nfs/dbraw/zinc/21/31/82/961213182.db2.gz IZKOSIUJGXLSLT-ZDUSSCGKSA-N 2 0 212.381 2.615 20 30 BFEDRP C=CCCCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001209433437 969503543 /nfs/dbraw/zinc/50/35/43/969503543.db2.gz WMZYXXFPYLWMDT-GJZGRUSLSA-N 2 0 236.403 2.616 20 30 BFEDRP CCCCCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001201798507 983479346 /nfs/dbraw/zinc/47/93/46/983479346.db2.gz WTYVOKJJCJUUQB-GJZGRUSLSA-N 2 0 238.419 2.840 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206052977 970804069 /nfs/dbraw/zinc/80/40/69/970804069.db2.gz BLLJIUXBLCVLAN-ZIAGYGMSSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405422513 971255702 /nfs/dbraw/zinc/25/57/02/971255702.db2.gz YDLLQENQLJLCIR-YNEHKIRRSA-N 2 0 222.376 2.591 20 30 BFEDRP CCCCCCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258039436 971561735 /nfs/dbraw/zinc/56/17/35/971561735.db2.gz PVKHQWHOURMZPG-NSHDSACASA-N 2 0 245.436 2.952 20 30 BFEDRP C=C(C)CCc1ccccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170901065 972068523 /nfs/dbraw/zinc/06/85/23/972068523.db2.gz VGXZJFICCBEAQH-HNNXBMFYSA-N 2 0 247.386 2.631 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246089084 972143020 /nfs/dbraw/zinc/14/30/20/972143020.db2.gz OPCUYOAWSMHZPE-JPIQDLEPSA-N 2 0 248.414 2.981 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]CCC1C[NH2+]C1 ZINC001246192552 972214606 /nfs/dbraw/zinc/21/46/06/972214606.db2.gz UBCIFYBBPMEZJA-CYBMUJFWSA-N 2 0 226.408 2.935 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[C@H]([NH3+])CC)C[C@H](C1)C2 ZINC001246303831 972264768 /nfs/dbraw/zinc/26/47/68/972264768.db2.gz ATCBFPXKQHAZGC-PEUVFPKISA-N 2 0 236.403 2.838 20 30 BFEDRP C=CCCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209428570 957451107 /nfs/dbraw/zinc/45/11/07/957451107.db2.gz LZUTUSGCMYIUAT-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385374 972451194 /nfs/dbraw/zinc/45/11/94/972451194.db2.gz LGVUBZATYJGNMA-HNNXBMFYSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000309320413 959841737 /nfs/dbraw/zinc/84/17/37/959841737.db2.gz GSUCLERINPOZCP-AWEZNQCLSA-N 2 0 224.392 2.794 20 30 BFEDRP CCCCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000686245844 960237772 /nfs/dbraw/zinc/23/77/72/960237772.db2.gz LXSLCKDPQKOZFF-LBPRGKRZSA-N 2 0 212.381 2.544 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925635719 960488097 /nfs/dbraw/zinc/48/80/97/960488097.db2.gz OKNMSSQAIDKIGC-OLZOCXBDSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925635722 960488282 /nfs/dbraw/zinc/48/82/82/960488282.db2.gz OKNMSSQAIDKIGC-STQMWFEESA-N 2 0 222.376 2.605 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205130915 967374080 /nfs/dbraw/zinc/37/40/80/967374080.db2.gz PMUPASKLVMFIBZ-NUEKZKHPSA-N 2 0 248.414 2.816 20 30 BFEDRP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205177191 967412921 /nfs/dbraw/zinc/41/29/21/967412921.db2.gz BUKZPLIINMFQHB-ZIAGYGMSSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000821989792 968502996 /nfs/dbraw/zinc/50/29/96/968502996.db2.gz ZIWPGCFKOKJNNZ-QPSCCSFWSA-N 2 0 248.414 2.981 20 30 BFEDRP C=CCN1CCC([NH2+]C2CCCCC2)CC1 ZINC000164526314 968522972 /nfs/dbraw/zinc/52/29/72/968522972.db2.gz ZMPAUEXEUSVGKI-UHFFFAOYSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CCCCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207288285 968719787 /nfs/dbraw/zinc/71/97/87/968719787.db2.gz MWXVOXNYDKPWRT-UHFFFAOYSA-N 2 0 226.408 2.862 20 30 BFEDRP C=C(C)c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001240836664 968753039 /nfs/dbraw/zinc/75/30/39/968753039.db2.gz WDHCHKYCAKLINM-UHFFFAOYSA-N 2 0 230.355 2.643 20 30 BFEDRP CC[NH+]1CCC([NH2+]CCCCCCS)CC1 ZINC001169241893 969529808 /nfs/dbraw/zinc/52/98/08/969529808.db2.gz SGGHRBWRJHUCEF-UHFFFAOYSA-N 2 0 244.448 2.551 20 30 BFEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574691 972871930 /nfs/dbraw/zinc/87/19/30/972871930.db2.gz IQKFCLACVXGDDS-ZIAGYGMSSA-N 2 0 237.391 2.520 20 30 BFEDRP CCCCCCC[C@@H](C)[NH+]1CC(C[NH2+]C)C1 ZINC001246599998 973021494 /nfs/dbraw/zinc/02/14/94/973021494.db2.gz QNIONCYRSKFTNQ-CYBMUJFWSA-N 2 0 226.408 2.887 20 30 BFEDRP C=CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104337 974365926 /nfs/dbraw/zinc/36/59/26/974365926.db2.gz BPFHIGZQXAGEHJ-BTTYYORXSA-N 2 0 222.376 2.558 20 30 BFEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119228 974386500 /nfs/dbraw/zinc/38/65/00/974386500.db2.gz WKIAHKCSHHUYMO-QDMKHBRRSA-N 2 0 248.414 2.641 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172479341 974779999 /nfs/dbraw/zinc/77/99/99/974779999.db2.gz IIMKNRRIHIUDJW-CYBMUJFWSA-N 2 0 237.391 2.531 20 30 BFEDRP CC(C)[N@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173325291 975272957 /nfs/dbraw/zinc/27/29/57/975272957.db2.gz GSMCWWWNPMVMRH-UHFFFAOYSA-N 2 0 237.391 2.518 20 30 BFEDRP CCC[N@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173325098 975273551 /nfs/dbraw/zinc/27/35/51/975273551.db2.gz CPHKOWZEWROJRX-UHFFFAOYSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232092 978999378 /nfs/dbraw/zinc/99/93/78/978999378.db2.gz GZMBIIDXYRGUJC-HNNXBMFYSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254500 979012094 /nfs/dbraw/zinc/01/20/94/979012094.db2.gz JMEAJTANKTWUGI-HUUCEWRRSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337285 979027057 /nfs/dbraw/zinc/02/70/57/979027057.db2.gz IKBZRYRIBSIDJM-CQSZACIVSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CCCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058690 979347936 /nfs/dbraw/zinc/34/79/36/979347936.db2.gz AHSGTPSNLMWKNN-GJZGRUSLSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCCC[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001236085573 979372661 /nfs/dbraw/zinc/37/26/61/979372661.db2.gz SGFIKLUGJUQCMJ-CQSZACIVSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314463 979524069 /nfs/dbraw/zinc/52/40/69/979524069.db2.gz NKRNFSDARUENRI-GASCZTMLSA-N 2 0 236.403 2.664 20 30 BFEDRP CCCCCCCCC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411725 979585728 /nfs/dbraw/zinc/58/57/28/979585728.db2.gz OSVGJMZRDYDFHS-FICVDOATSA-N 2 0 238.419 2.887 20 30 BFEDRP C=CCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602752 981169280 /nfs/dbraw/zinc/16/92/80/981169280.db2.gz MESLOUNBGLMCGY-KBPBESRZSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985075 984299705 /nfs/dbraw/zinc/29/97/05/984299705.db2.gz VQMAQSPKKOMDKZ-KBPBESRZSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274974639 984432244 /nfs/dbraw/zinc/43/22/44/984432244.db2.gz OBOYIQURKOWKAJ-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP CCCCCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000691984226 985089724 /nfs/dbraw/zinc/08/97/24/985089724.db2.gz CENKRAZKEKWFBC-UHFFFAOYSA-N 2 0 200.370 2.626 20 30 BFEDRP C#CC[N@@H+](CCC[NH+]1CCCCC1)C(C)(C)C ZINC001460809476 985900968 /nfs/dbraw/zinc/90/09/68/985900968.db2.gz ZEITUNKPBZAICI-UHFFFAOYSA-N 2 0 236.403 2.596 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001258721367 986054658 /nfs/dbraw/zinc/05/46/58/986054658.db2.gz TZRBYZCKWUOFHW-CYBMUJFWSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC[C@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001462460325 986398346 /nfs/dbraw/zinc/39/83/46/986398346.db2.gz KQFMGDDHGGYWAB-AWEZNQCLSA-N 2 0 236.403 2.616 20 30 BFEDRP N#C[C@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638174 986685863 /nfs/dbraw/zinc/68/58/63/986685863.db2.gz XKAUWYZEJJWMLW-ZFWWWQNUSA-N 2 0 249.402 2.662 20 30 BFEDRP CC[C@H](CC#N)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+] ZINC001255158873 986831977 /nfs/dbraw/zinc/83/19/77/986831977.db2.gz OGOSYGNHQSPMAA-CHWSQXEVSA-N 2 0 239.407 2.669 20 30 BFEDRP CC[C@@H](CC#N)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+] ZINC001255158878 986832716 /nfs/dbraw/zinc/83/27/16/986832716.db2.gz OGOSYGNHQSPMAA-OLZOCXBDSA-N 2 0 239.407 2.669 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC001246105906 987434327 /nfs/dbraw/zinc/43/43/27/987434327.db2.gz BUWOJDKGMRLSLP-KBPBESRZSA-N 2 0 226.408 2.935 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246128469 987479384 /nfs/dbraw/zinc/47/93/84/987479384.db2.gz JLRZEMIWJRPCRX-KGLIPLIRSA-N 2 0 249.402 2.581 20 30 BFEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150658 987508216 /nfs/dbraw/zinc/50/82/16/987508216.db2.gz XIBRVXIRALRORN-XQLPTFJDSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]1 ZINC001246192114 987581999 /nfs/dbraw/zinc/58/19/99/987581999.db2.gz DQKUXFIDRLRHNF-QWHCGFSZSA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001246324355 987724066 /nfs/dbraw/zinc/72/40/66/987724066.db2.gz KOJLLHRVHVFLCU-OLZOCXBDSA-N 2 0 214.397 2.920 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001246324351 987731230 /nfs/dbraw/zinc/73/12/30/987731230.db2.gz KOJLLHRVHVFLCU-CHWSQXEVSA-N 2 0 214.397 2.920 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445894 987807417 /nfs/dbraw/zinc/80/74/17/987807417.db2.gz QNQCLOKUMMWLRB-OLZOCXBDSA-N 2 0 224.392 2.687 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3C[C@@](C)([NH3+])C3)C[C@H](C1)C2 ZINC001246467019 987825418 /nfs/dbraw/zinc/82/54/18/987825418.db2.gz YJIFNXFBYJZHPA-AXOHJZAGSA-N 2 0 234.387 2.591 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001246540043 987905902 /nfs/dbraw/zinc/90/59/02/987905902.db2.gz FBRURWNMQSLXMP-IUOOZAAYSA-N 2 0 248.414 2.935 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551127 987943188 /nfs/dbraw/zinc/94/31/88/987943188.db2.gz KUMZLKZYBLJHIU-QWHCGFSZSA-N 2 0 210.365 2.544 20 30 BFEDRP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccc(C#N)cc1 ZINC001118122193 988029763 /nfs/dbraw/zinc/02/97/63/988029763.db2.gz QSSVZXWWZOYJKM-DOMZBBRYSA-N 2 0 245.370 2.597 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(CC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246636591 988330679 /nfs/dbraw/zinc/33/06/79/988330679.db2.gz OEUSSNCAYVEUEU-VFSICIBPSA-N 2 0 246.398 2.559 20 30 BFEDRP CC[C@@H](CC#N)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246656335 988383753 /nfs/dbraw/zinc/38/37/53/988383753.db2.gz NMIWTJMSQCARHA-LSDHHAIUSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C1C[C@@H]2CC([NH+]3CCC[NH2+]CCC3)C[C@H](C1)C2 ZINC001246907012 988679349 /nfs/dbraw/zinc/67/93/49/988679349.db2.gz UAJBYBCICHCGHH-XYPWUTKMSA-N 2 0 248.414 2.807 20 30 BFEDRP C=CCC[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001258735657 991684917 /nfs/dbraw/zinc/68/49/17/991684917.db2.gz YLYPEYNLRUOTSW-UONOGXRCSA-N 2 0 222.376 2.511 20 30 BFEDRP C#C[C@@](C)(CC)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902265 991896959 /nfs/dbraw/zinc/89/69/59/991896959.db2.gz RVSUJTHRYKUYGF-GJZGRUSLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@H](CC)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001574889902 992937206 /nfs/dbraw/zinc/93/72/06/992937206.db2.gz RONNBACEWASPNB-INIZCTEOSA-N 2 0 244.382 2.777 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423023832 398163075 /nfs/dbraw/zinc/16/30/75/398163075.db2.gz IEBWZJKYBVLQBN-CJNGLKHVSA-N 2 0 244.382 2.678 20 30 BFEDRP C=C(CC)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000313489399 259335817 /nfs/dbraw/zinc/33/58/17/259335817.db2.gz RUGRIOHXBUSXBU-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000584182496 343771048 /nfs/dbraw/zinc/77/10/48/343771048.db2.gz BYZRUOCJWUBYTM-KGLIPLIRSA-N 2 0 224.392 2.982 20 30 BFEDRP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358503693 344565901 /nfs/dbraw/zinc/56/59/01/344565901.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005798 345209730 /nfs/dbraw/zinc/20/97/30/345209730.db2.gz KDABESOVUUDKOH-GDBMZVCRSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008322 345216256 /nfs/dbraw/zinc/21/62/56/345216256.db2.gz SRMJPWLZTGHUQK-AAVRWANBSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000635020150 345223554 /nfs/dbraw/zinc/22/35/54/345223554.db2.gz KLSPAKJNRUGMDI-CHWSQXEVSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310517453 347291398 /nfs/dbraw/zinc/29/13/98/347291398.db2.gz VSZSOJYZPQIGBT-QWHCGFSZSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCC[N@@H+](C)C(C)(C)CN1CCCC1 ZINC000419374872 192129415 /nfs/dbraw/zinc/12/94/15/192129415.db2.gz LYRCHAQDNGILNT-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000596651978 348606350 /nfs/dbraw/zinc/60/63/50/348606350.db2.gz DRNMQGRTGWWXIU-IUODEOHRSA-N 2 0 245.370 2.582 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513133 362939767 /nfs/dbraw/zinc/93/97/67/362939767.db2.gz JSUDYWVPZMWTHI-OLZOCXBDSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CCCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000070593288 350026069 /nfs/dbraw/zinc/02/60/69/350026069.db2.gz LOMLRSVMOBOQJP-KBPBESRZSA-N 2 0 222.376 2.559 20 30 BFEDRP CC1(C#N)CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000602018361 349417896 /nfs/dbraw/zinc/41/78/96/349417896.db2.gz ARNPSWAPBFVGHF-RBAFREBBSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337085316 350554887 /nfs/dbraw/zinc/55/48/87/350554887.db2.gz ZHPMSEZZRKLDIV-HZPDHXFCSA-N 2 0 244.382 2.627 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000336713040 351081660 /nfs/dbraw/zinc/08/16/60/351081660.db2.gz OCJPDDHISVDASY-ZNMIVQPWSA-N 2 0 236.403 2.853 20 30 BFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000192574767 353561069 /nfs/dbraw/zinc/56/10/69/353561069.db2.gz LCRMMGPKJVJHMB-UHFFFAOYSA-N 2 0 245.370 2.842 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000230658227 363317571 /nfs/dbraw/zinc/31/75/71/363317571.db2.gz JGDAMTPRBGCAHI-CYBMUJFWSA-N 2 0 212.381 2.661 20 30 BFEDRP CCCCN(C)CC[NH2+]CC(C)(C)CCC#N ZINC000344411333 354251993 /nfs/dbraw/zinc/25/19/93/354251993.db2.gz SLYCMWCFSDJGQT-UHFFFAOYSA-N 2 0 239.407 2.638 20 30 BFEDRP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000351891956 356158067 /nfs/dbraw/zinc/15/80/67/356158067.db2.gz RURZWSNYTQFUNH-ZIAGYGMSSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352488196 134146801 /nfs/dbraw/zinc/14/68/01/134146801.db2.gz NHOVZMPTHPAZMG-UHFFFAOYSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000423154888 192593246 /nfs/dbraw/zinc/59/32/46/192593246.db2.gz KHIPFIYYEOYZBK-KBPBESRZSA-N 2 0 236.403 2.840 20 30 BFEDRP C=CCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000582706974 357374901 /nfs/dbraw/zinc/37/49/01/357374901.db2.gz XMZMLYBLHNAARK-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398083648 357839305 /nfs/dbraw/zinc/83/93/05/357839305.db2.gz SQURYFPWJIOUAO-AVGNSLFASA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398083655 357839881 /nfs/dbraw/zinc/83/98/81/357839881.db2.gz SQURYFPWJIOUAO-YNEHKIRRSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985567 358026574 /nfs/dbraw/zinc/02/65/74/358026574.db2.gz AIZVTYLSSQPNMC-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126765870 358554526 /nfs/dbraw/zinc/55/45/26/358554526.db2.gz CJOUAFWDJLAVJZ-MELADBBJSA-N 2 0 222.376 2.558 20 30 BFEDRP CC#CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014792 359184681 /nfs/dbraw/zinc/18/46/81/359184681.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861299 359229947 /nfs/dbraw/zinc/22/99/47/359229947.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423460194 192779118 /nfs/dbraw/zinc/77/91/18/192779118.db2.gz MAYGMRAMWJHKJG-XUXIUFHCSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000575072307 361275528 /nfs/dbraw/zinc/27/55/28/361275528.db2.gz XIXPVAQVZNPVJN-ZIAGYGMSSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000575072305 361276249 /nfs/dbraw/zinc/27/62/49/361276249.db2.gz XIXPVAQVZNPVJN-KGLIPLIRSA-N 2 0 236.403 2.982 20 30 BFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000386645793 368006224 /nfs/dbraw/zinc/00/62/24/368006224.db2.gz AUHNCTFNSWQNMB-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000387447618 368195905 /nfs/dbraw/zinc/19/59/05/368195905.db2.gz UBYDYWXKEYPLEL-UHFFFAOYSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459727045 203341084 /nfs/dbraw/zinc/34/10/84/203341084.db2.gz HBMMQCUBPSFTCG-RRFJBIMHSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643547852 384039548 /nfs/dbraw/zinc/03/95/48/384039548.db2.gz JTHHNQRRLGGHIS-GJZGRUSLSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000309919657 384715697 /nfs/dbraw/zinc/71/56/97/384715697.db2.gz RGMHLTKSYYTCSU-CQSZACIVSA-N 2 0 224.392 2.663 20 30 BFEDRP N#CC1CCC(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335023181 385982465 /nfs/dbraw/zinc/98/24/65/385982465.db2.gz OMVAUXCCWGKHDR-WUCCLRPBSA-N 2 0 249.402 2.566 20 30 BFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000335059664 385960597 /nfs/dbraw/zinc/96/05/97/385960597.db2.gz MLWIYRZDLXWJDK-KGLIPLIRSA-N 2 0 249.402 2.710 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000336664127 386755840 /nfs/dbraw/zinc/75/58/40/386755840.db2.gz XGKZFFJQRHOIOJ-HZSPNIEDSA-N 2 0 238.419 2.907 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423334636 387180447 /nfs/dbraw/zinc/18/04/47/387180447.db2.gz QXCKRICUTFSXRU-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC1([NH3+])CCC1 ZINC000423341262 387190765 /nfs/dbraw/zinc/19/07/65/387190765.db2.gz XYDPLAYBAYKFAE-LBPRGKRZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423352351 387203766 /nfs/dbraw/zinc/20/37/66/387203766.db2.gz KHCRCSVHKWFEEZ-CYBMUJFWSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325878 387228588 /nfs/dbraw/zinc/22/85/88/387228588.db2.gz JXRBZQHJUVLONO-STQMWFEESA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000423443203 387293719 /nfs/dbraw/zinc/29/37/19/387293719.db2.gz VNNZPGNQPHPLLI-OCCSQVGLSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@H](C)CCC[NH3+] ZINC000423451978 387299946 /nfs/dbraw/zinc/29/99/46/387299946.db2.gz JERCVRPSCNJVDD-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423460274 387307978 /nfs/dbraw/zinc/30/79/78/387307978.db2.gz MHCBQJCJCFKQDY-RDBSUJKOSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423460270 387308575 /nfs/dbraw/zinc/30/85/75/387308575.db2.gz MHCBQJCJCFKQDY-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423557653 387375432 /nfs/dbraw/zinc/37/54/32/387375432.db2.gz NLDNGZFCTHTWJD-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491879 387336448 /nfs/dbraw/zinc/33/64/48/387336448.db2.gz ZVOSLDKVVOXSGA-MELADBBJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527927055 387793755 /nfs/dbraw/zinc/79/37/55/387793755.db2.gz QYVMUGHDMGGTQL-CHWSQXEVSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643478025 387801307 /nfs/dbraw/zinc/80/13/07/387801307.db2.gz OOSWGEZYIBFHFY-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442781915 387838395 /nfs/dbraw/zinc/83/83/95/387838395.db2.gz OXTUWYGOVJIDDR-RBSFLKMASA-N 2 0 249.402 2.533 20 30 BFEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781160 387840085 /nfs/dbraw/zinc/84/00/85/387840085.db2.gz HVQYZJPLVHSCPE-UKRRQHHQSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000423154901 387935458 /nfs/dbraw/zinc/93/54/58/387935458.db2.gz KHIPFIYYEOYZBK-UONOGXRCSA-N 2 0 236.403 2.840 20 30 BFEDRP C=C(C)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423150593 387929073 /nfs/dbraw/zinc/92/90/73/387929073.db2.gz JCIFHXYXNGFQBI-HIFRSBDPSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423208639 387992877 /nfs/dbraw/zinc/99/28/77/387992877.db2.gz DJDSGABHVNWAIV-IGQOVBAYSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C1CCC([NH3+])CC1 ZINC000423213648 387998151 /nfs/dbraw/zinc/99/81/51/387998151.db2.gz KHNOBPOYVROVRK-ROKHWSDSSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423259274 388038063 /nfs/dbraw/zinc/03/80/63/388038063.db2.gz NTHAIECGBAHRFD-ZFWWWQNUSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CN(C)C[C@H]2C)CCCC1 ZINC000449606419 388241004 /nfs/dbraw/zinc/24/10/04/388241004.db2.gz QQBHXDDKAKDGPL-KGLIPLIRSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287305 388543113 /nfs/dbraw/zinc/54/31/13/388543113.db2.gz FPHJKNRRKKYLBU-CQSZACIVSA-N 2 0 233.359 2.876 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423003429 388686702 /nfs/dbraw/zinc/68/67/02/388686702.db2.gz HUUVDYKHNCRQKJ-CHWSQXEVSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000530213024 388627889 /nfs/dbraw/zinc/62/78/89/388627889.db2.gz SUYWZPXQEGTHBB-STQMWFEESA-N 2 0 224.392 2.566 20 30 BFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423003434 388687446 /nfs/dbraw/zinc/68/74/46/388687446.db2.gz HUUVDYKHNCRQKJ-STQMWFEESA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000304189236 134236908 /nfs/dbraw/zinc/23/69/08/134236908.db2.gz ABUNZUKMROMMTJ-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169129748 134249411 /nfs/dbraw/zinc/24/94/11/134249411.db2.gz VEKYHXKQYVMJDX-LEWSCRJBSA-N 2 0 216.328 2.685 20 30 BFEDRP C=CC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178958612 134313524 /nfs/dbraw/zinc/31/35/24/134313524.db2.gz MREHGPUSSQPBFI-UHFFFAOYSA-N 2 0 244.382 2.674 20 30 BFEDRP C=CCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000338546355 135039534 /nfs/dbraw/zinc/03/95/34/135039534.db2.gz GIDJJQOGRYVZLX-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338568846 135040664 /nfs/dbraw/zinc/04/06/64/135040664.db2.gz AEPYZDMXPGYUML-KBPBESRZSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338568848 135041343 /nfs/dbraw/zinc/04/13/43/135041343.db2.gz AEPYZDMXPGYUML-UONOGXRCSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297664555 135196634 /nfs/dbraw/zinc/19/66/34/135196634.db2.gz ZEKAPVXYYZBZTQ-GFCCVEGCSA-N 2 0 229.327 2.779 20 30 BFEDRP C=C(C)CN1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000122361028 135227050 /nfs/dbraw/zinc/22/70/50/135227050.db2.gz PFLOWPHEPCYSHX-OAHLLOKOSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000121964371 135227397 /nfs/dbraw/zinc/22/73/97/135227397.db2.gz LOTCQVZWHYRIKL-MJBXVCDLSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271829974 166301528 /nfs/dbraw/zinc/30/15/28/166301528.db2.gz DVLDJPBGJKZXSM-HNNXBMFYSA-N 2 0 236.403 2.973 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401002639 411168753 /nfs/dbraw/zinc/16/87/53/411168753.db2.gz NNAYIJZKNOOZIF-MGPQQGTHSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1C ZINC000657863124 411613044 /nfs/dbraw/zinc/61/30/44/411613044.db2.gz IQAXRSUBSMIZFK-LSDHHAIUSA-N 2 0 247.386 2.916 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295558 412084953 /nfs/dbraw/zinc/08/49/53/412084953.db2.gz GSJZAWNYGGNKOS-OAHLLOKOSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC1(C[NH2+][C@H](C)C2C[NH2+]C2)CCCC1 ZINC000665236568 412176558 /nfs/dbraw/zinc/17/65/58/412176558.db2.gz POMHHERCCOVOMB-CYBMUJFWSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 ZINC000665248334 412192288 /nfs/dbraw/zinc/19/22/88/412192288.db2.gz VEVKNBAKIGTEAM-CYBMUJFWSA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000665235989 412166372 /nfs/dbraw/zinc/16/63/72/412166372.db2.gz DZUWSYQDEPIFBN-UONOGXRCSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665229833 412167410 /nfs/dbraw/zinc/16/74/10/412167410.db2.gz DPXDNBNYKUFRRI-SRXPKIRMSA-N 2 0 248.414 2.994 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230682 412167799 /nfs/dbraw/zinc/16/77/99/412167799.db2.gz UDJAEUVABUCVOA-APIJFGDWSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665230689 412167897 /nfs/dbraw/zinc/16/78/97/412167897.db2.gz UDJAEUVABUCVOA-YJNKXOJESA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230688 412168388 /nfs/dbraw/zinc/16/83/88/412168388.db2.gz UDJAEUVABUCVOA-XGUBFFRZSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280696 412224538 /nfs/dbraw/zinc/22/45/38/412224538.db2.gz JDYWRMAHASLLIC-JHJVBQTASA-N 2 0 212.381 2.550 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280698 412225232 /nfs/dbraw/zinc/22/52/32/412225232.db2.gz JDYWRMAHASLLIC-YNEHKIRRSA-N 2 0 212.381 2.550 20 30 BFEDRP C=CCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000570132597 323050680 /nfs/dbraw/zinc/05/06/80/323050680.db2.gz LZEYFVHFGNNPNA-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219242 323218130 /nfs/dbraw/zinc/21/81/30/323218130.db2.gz KXWUFOXYTNZZKM-ZIAGYGMSSA-N 2 0 234.387 2.605 20 30 BFEDRP C=CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109798 487958486 /nfs/dbraw/zinc/95/84/86/487958486.db2.gz KTUJCJGQPHNASZ-MRXNPFEDSA-N 2 0 244.382 2.626 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000530213020 324529393 /nfs/dbraw/zinc/52/93/93/324529393.db2.gz SUYWZPXQEGTHBB-CHWSQXEVSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000131976119 325193219 /nfs/dbraw/zinc/19/32/19/325193219.db2.gz CXPMFIJUJOEGIW-KBPBESRZSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000568511208 326361436 /nfs/dbraw/zinc/36/14/36/326361436.db2.gz QZCCIPPKTASTIH-LBPRGKRZSA-N 2 0 218.344 2.590 20 30 BFEDRP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000358513768 534396882 /nfs/dbraw/zinc/39/68/82/534396882.db2.gz VFUKRTQFMALORF-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174226425 534719586 /nfs/dbraw/zinc/71/95/86/534719586.db2.gz VDUHDARYVVEJEM-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366620008 534720992 /nfs/dbraw/zinc/72/09/92/534720992.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 2 0 248.414 2.901 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880136732 583471991 /nfs/dbraw/zinc/47/19/91/583471991.db2.gz RBIZSAQGRXUVKI-CABCVRRESA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450518 584606869 /nfs/dbraw/zinc/60/68/69/584606869.db2.gz STHQRLBGBGZLFE-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440107 584763417 /nfs/dbraw/zinc/76/34/17/584763417.db2.gz SUUPERLFJMHDOC-KGLIPLIRSA-N 2 0 224.392 2.792 20 30 BFEDRP N#CC1CCC(C[N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000903451825 584771847 /nfs/dbraw/zinc/77/18/47/584771847.db2.gz DYDBUKAVFKVESF-YMAMQOFZSA-N 2 0 249.402 2.520 20 30 BFEDRP C[N@H+](CCCCC1(C#N)CCC1)C1CC[NH2+]CC1 ZINC000903713628 584793492 /nfs/dbraw/zinc/79/34/92/584793492.db2.gz XXPZZHDZYMNMJS-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP C=CCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000903933401 584825361 /nfs/dbraw/zinc/82/53/61/584825361.db2.gz QLUWKZQPZAODKE-GOOCMWNKSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000817959705 584992126 /nfs/dbraw/zinc/99/21/26/584992126.db2.gz HBENBRIGPSLQEX-GFCCVEGCSA-N 2 0 212.381 2.838 20 30 BFEDRP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000767351302 585517506 /nfs/dbraw/zinc/51/75/06/585517506.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000817962463 586852510 /nfs/dbraw/zinc/85/25/10/586852510.db2.gz MRXGQULHCOZDPR-OLZOCXBDSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000817964596 586853647 /nfs/dbraw/zinc/85/36/47/586853647.db2.gz CTYZMYRHKREDQK-JSGCOSHPSA-N 2 0 224.392 2.838 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000863539464 589296782 /nfs/dbraw/zinc/29/67/82/589296782.db2.gz CNHKCWCEWXGZIS-RYUDHWBXSA-N 2 0 200.370 2.672 20 30 BFEDRP C=CC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156015 589886216 /nfs/dbraw/zinc/88/62/16/589886216.db2.gz COOBNIORMUTIRP-UKRRQHHQSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000873267483 590015392 /nfs/dbraw/zinc/01/53/92/590015392.db2.gz DSPBVEVELMKITI-DOMZBBRYSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267526 590015597 /nfs/dbraw/zinc/01/55/97/590015597.db2.gz GBNKUHGUUUWCTR-TZMCWYRMSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000873271077 590015977 /nfs/dbraw/zinc/01/59/77/590015977.db2.gz DSPBVEVELMKITI-WFASDCNBSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000873279597 590017153 /nfs/dbraw/zinc/01/71/53/590017153.db2.gz JHNCXGCIASJXSF-QWHCGFSZSA-N 2 0 224.392 2.696 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877070152 590277098 /nfs/dbraw/zinc/27/70/98/590277098.db2.gz LMSVBFCKOYDVMW-HUUCEWRRSA-N 2 0 236.403 2.642 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000877095419 590282137 /nfs/dbraw/zinc/28/21/37/590282137.db2.gz YBRLGYBZFPVDMS-HUUCEWRRSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000126773738 590442241 /nfs/dbraw/zinc/44/22/41/590442241.db2.gz PKPHFZNYKQBELH-KBPBESRZSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878159511 590510053 /nfs/dbraw/zinc/51/00/53/590510053.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878159513 590510165 /nfs/dbraw/zinc/51/01/65/590510165.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 2 0 224.392 2.615 20 30 BFEDRP C#CCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950521 590896070 /nfs/dbraw/zinc/89/60/70/590896070.db2.gz SZEIEVQQDLANME-UHFFFAOYSA-N 2 0 248.414 2.740 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259049 590979344 /nfs/dbraw/zinc/97/93/44/590979344.db2.gz LHWLOONZIZRNOS-KGLIPLIRSA-N 2 0 245.370 2.557 20 30 BFEDRP C=CCCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474373 591053420 /nfs/dbraw/zinc/05/34/20/591053420.db2.gz HLPRZLGPOUDLAN-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CC[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000131650653 591635888 /nfs/dbraw/zinc/63/58/88/591635888.db2.gz GVXPTCYKBBXMKG-UHFFFAOYSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429435 591660105 /nfs/dbraw/zinc/66/01/05/591660105.db2.gz VWMPRSDTIGLGLK-KKUMJFAQSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886635939 592284940 /nfs/dbraw/zinc/28/49/40/592284940.db2.gz CHPMCERGRRIKJE-UHFFFAOYSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880569 635607458 /nfs/dbraw/zinc/60/74/58/635607458.db2.gz SLEFKHYWTMBTBN-MJBXVCDLSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309240767 632834197 /nfs/dbraw/zinc/83/41/97/632834197.db2.gz WQJVNBPIZAAZAR-UONOGXRCSA-N 2 0 224.392 2.982 20 30 BFEDRP C#CCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000181305159 633077730 /nfs/dbraw/zinc/07/77/30/633077730.db2.gz ZLYJPANUMCVKBW-UHFFFAOYSA-N 2 0 236.403 2.642 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925653599 634216746 /nfs/dbraw/zinc/21/67/46/634216746.db2.gz HZNRPRCVEVPCMC-AGIUHOORSA-N 2 0 224.392 2.837 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925774837 635240206 /nfs/dbraw/zinc/24/02/06/635240206.db2.gz AADBCVXJEBPRIL-NWDGAFQWSA-N 2 0 246.345 2.566 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801124 635348000 /nfs/dbraw/zinc/34/80/00/635348000.db2.gz UPQMFBTYMVHJRL-KFWWJZLASA-N 2 0 238.419 2.957 20 30 BFEDRP C=C(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903180074 637349474 /nfs/dbraw/zinc/34/94/74/637349474.db2.gz WYJHJOCUSCJPLG-LQDVMPOASA-N 2 0 234.387 2.700 20 30 BFEDRP N#CC1(CCCC[N@H+]2CC[C@H](CC[NH3+])C2)CCC1 ZINC000903788772 637382005 /nfs/dbraw/zinc/38/20/05/637382005.db2.gz QDBDAHWTOOKFND-AWEZNQCLSA-N 2 0 249.402 2.521 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000904472005 637424766 /nfs/dbraw/zinc/42/47/66/637424766.db2.gz KQRRHBCTNZFPQA-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000934469790 641165085 /nfs/dbraw/zinc/16/50/85/641165085.db2.gz GQSROVFAJRABKW-UONOGXRCSA-N 2 0 222.376 2.511 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000088236275 644514829 /nfs/dbraw/zinc/51/48/29/644514829.db2.gz LNWZXECMRWIHGV-CYBMUJFWSA-N 2 0 212.381 2.628 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000088236276 644515107 /nfs/dbraw/zinc/51/51/07/644515107.db2.gz LNWZXECMRWIHGV-ZDUSSCGKSA-N 2 0 212.381 2.628 20 30 BFEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925255099 646220861 /nfs/dbraw/zinc/22/08/61/646220861.db2.gz CIGDGCHLFBVFGU-OLZOCXBDSA-N 2 0 232.371 2.973 20 30 BFEDRP C=C(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925637230 646379676 /nfs/dbraw/zinc/37/96/76/646379676.db2.gz YVPQXACAYBLMFM-GJZGRUSLSA-N 2 0 242.366 2.559 20 30 BFEDRP C=C(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925637232 646380928 /nfs/dbraw/zinc/38/09/28/646380928.db2.gz YVPQXACAYBLMFM-LSDHHAIUSA-N 2 0 242.366 2.559 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925683200 646410291 /nfs/dbraw/zinc/41/02/91/646410291.db2.gz MHXOJPPHBRBEGK-NEPJUHHUSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925683203 646410815 /nfs/dbraw/zinc/41/08/15/646410815.db2.gz MHXOJPPHBRBEGK-VXGBXAGGSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925724926 646450463 /nfs/dbraw/zinc/45/04/63/646450463.db2.gz OBYVYKSXSJAYCV-GFCCVEGCSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925730062 646453978 /nfs/dbraw/zinc/45/39/78/646453978.db2.gz NJFYWGYGZZSUGS-CYBMUJFWSA-N 2 0 236.403 2.853 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925829693 646500039 /nfs/dbraw/zinc/50/00/39/646500039.db2.gz AUSCOOJMMUJNKT-DZGCQCFKSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926351711 646623791 /nfs/dbraw/zinc/62/37/91/646623791.db2.gz SBCFOOCTVRPIRO-KKUMJFAQSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925721433 711716791 /nfs/dbraw/zinc/71/67/91/711716791.db2.gz NIYOIWDNWGNAEE-ZDUSSCGKSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903119823 710893930 /nfs/dbraw/zinc/89/39/30/710893930.db2.gz KBXGKVHTQMWCPC-YPRXJGMQSA-N 2 0 234.387 2.698 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390150452 711107236 /nfs/dbraw/zinc/10/72/36/711107236.db2.gz TYPHTABDUWBQCZ-KBPBESRZSA-N 2 0 224.392 2.641 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000724570709 710742182 /nfs/dbraw/zinc/74/21/82/710742182.db2.gz GRGJDDMLSDWFRB-CVEARBPZSA-N 2 0 248.414 2.949 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000704037130 712099346 /nfs/dbraw/zinc/09/93/46/712099346.db2.gz BBMFWMFEPUOJMQ-BTFPBAQTSA-N 2 0 248.414 2.565 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000715053346 712505221 /nfs/dbraw/zinc/50/52/21/712505221.db2.gz LYCKEDFWXJDXRO-HIFRSBDPSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001205551244 967692617 /nfs/dbraw/zinc/69/26/17/967692617.db2.gz PHAHOIQZSXNQMB-CQSZACIVSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCC[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254530369 969724472 /nfs/dbraw/zinc/72/44/72/969724472.db2.gz WROMIBUSEAGGIM-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236413091 979585530 /nfs/dbraw/zinc/58/55/30/979585530.db2.gz AUZHAQINAKDCRV-UONOGXRCSA-N 2 0 224.392 2.935 20 30 BFEDRP C#C[C@](C)(CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256565006 970861924 /nfs/dbraw/zinc/86/19/24/970861924.db2.gz ZZPDAPIPIUYQFB-OAHLLOKOSA-N 2 0 236.403 2.641 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001257205399 971123985 /nfs/dbraw/zinc/12/39/85/971123985.db2.gz JZAYKFMHMOXFNC-OKILXGFUSA-N 2 0 249.402 2.531 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+][C@@H](C)C3)C[C@H](C1)C2 ZINC001246109052 972171644 /nfs/dbraw/zinc/17/16/44/972171644.db2.gz IQCUBKUHJNFWBZ-KRMXURRVSA-N 2 0 248.414 2.851 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+][C@H](C)C3)C[C@H](C1)C2 ZINC001246109049 972173777 /nfs/dbraw/zinc/17/37/77/972173777.db2.gz IQCUBKUHJNFWBZ-IWQYDBTJSA-N 2 0 248.414 2.851 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220452 972219989 /nfs/dbraw/zinc/21/99/89/972219989.db2.gz JUGAKWINQLUTKE-APIJFGDWSA-N 2 0 238.419 2.933 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCCC[C@H]3[NH3+])C[C@H](C1)C2 ZINC001246475332 972347569 /nfs/dbraw/zinc/34/75/69/972347569.db2.gz FNWYJNZGRCONQM-FVPDABNVSA-N 2 0 248.414 2.981 20 30 BFEDRP C#CC1([NH2+]C2CCC([NH+](C)C)CC2)CCCCC1 ZINC001168312376 964414064 /nfs/dbraw/zinc/41/40/64/964414064.db2.gz TUAASEWZTIXFPI-UHFFFAOYSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CCCCCCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763903 967152044 /nfs/dbraw/zinc/15/20/44/967152044.db2.gz RRXNVIRFNUQLJA-ZDUSSCGKSA-N 2 0 210.365 2.546 20 30 BFEDRP CC[C@H](CC#N)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160857 969969114 /nfs/dbraw/zinc/96/91/14/969969114.db2.gz RAFPODVCZBDRKR-RBSFLKMASA-N 2 0 249.402 2.661 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400711654 970619872 /nfs/dbraw/zinc/61/98/72/970619872.db2.gz MJNPMQUSWRUADB-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C[C@]1(C[NH3+])CCC[N@@H+](C2CCC(C#N)CC2)CC1 ZINC001246577797 972894357 /nfs/dbraw/zinc/89/43/57/972894357.db2.gz PRIKBKNTLZLLPP-NRXISQOPSA-N 2 0 249.402 2.520 20 30 BFEDRP C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246870080 973254392 /nfs/dbraw/zinc/25/43/92/973254392.db2.gz KEVRDWFQJHMPLM-PBWFPOADSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246948499 973678911 /nfs/dbraw/zinc/67/89/11/973678911.db2.gz KKIPNBNIHMXCCE-ZFWWWQNUSA-N 2 0 236.403 2.948 20 30 BFEDRP CCCC[N@H+](C)CCC[NH2+][C@@H](C)CCCC#N ZINC001172480374 974779126 /nfs/dbraw/zinc/77/91/26/974779126.db2.gz STLHCSOYLQFOBI-AWEZNQCLSA-N 2 0 239.407 2.780 20 30 BFEDRP C[C@H](CCCC#N)[NH2+]CCCCCCC[NH3+] ZINC001172485824 974789149 /nfs/dbraw/zinc/78/91/49/974789149.db2.gz UMPQEEHIYXUFEI-CYBMUJFWSA-N 2 0 225.380 2.568 20 30 BFEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001172488895 974832951 /nfs/dbraw/zinc/83/29/51/974832951.db2.gz XHGNAKYDMOBADJ-CYBMUJFWSA-N 2 0 249.402 2.662 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172488148 974833534 /nfs/dbraw/zinc/83/35/34/974833534.db2.gz JRXIBADZROILOC-APIJFGDWSA-N 2 0 249.402 2.674 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172489452 974835369 /nfs/dbraw/zinc/83/53/69/974835369.db2.gz SDADBKRGPXWOPC-ZDUSSCGKSA-N 2 0 249.402 2.533 20 30 BFEDRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(CC#N)CC1 ZINC001173329949 975278961 /nfs/dbraw/zinc/27/89/61/975278961.db2.gz PZYOKPDZJQWZSI-UHFFFAOYSA-N 2 0 249.402 2.661 20 30 BFEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584636 975426685 /nfs/dbraw/zinc/42/66/85/975426685.db2.gz DYPFRJAPNLTUJC-WLYUNCDWSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1CC(C)C[N@@H+]1CC[C@H]1CC=C ZINC001333478226 975804718 /nfs/dbraw/zinc/80/47/18/975804718.db2.gz FYOSGBCZWWRDBJ-HZPDHXFCSA-N 2 0 248.414 2.923 20 30 BFEDRP C=CC[NH+](CC=C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013648 977840463 /nfs/dbraw/zinc/84/04/63/977840463.db2.gz CRENVZWVCNNUJO-UHFFFAOYSA-N 2 0 227.311 2.737 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186235 978992471 /nfs/dbraw/zinc/99/24/71/978992471.db2.gz FSWDIKWQRJMIJF-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254506 979010219 /nfs/dbraw/zinc/01/02/19/979010219.db2.gz JMEAJTANKTWUGI-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCC/C=C/C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283980 979016350 /nfs/dbraw/zinc/01/63/50/979016350.db2.gz RXRRSBNQWOEYIL-IFRLPRAHSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@H](C)[NH2+]C ZINC001348851925 981461600 /nfs/dbraw/zinc/46/16/00/981461600.db2.gz HUWGIMUHZOJGRK-QWHCGFSZSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274962833 984415687 /nfs/dbraw/zinc/41/56/87/984415687.db2.gz VWTNLLLKVILGSA-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC[NH2+][C@@H]3C)C[C@H](C1)C2 ZINC001246092843 987403099 /nfs/dbraw/zinc/40/30/99/987403099.db2.gz KXBOQCCSQQENLE-WHWZVRATSA-N 2 0 248.414 2.709 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246118480 987463888 /nfs/dbraw/zinc/46/38/88/987463888.db2.gz YWSJEWMPSCSBTB-BFHYXJOUSA-N 2 0 226.408 2.933 20 30 BFEDRP C#CCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716907 987536091 /nfs/dbraw/zinc/53/60/91/987536091.db2.gz NFVIUSZUOJMHMC-INIZCTEOSA-N 2 0 248.414 2.596 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001246275615 987670939 /nfs/dbraw/zinc/67/09/39/987670939.db2.gz BCNBEDFESXAULN-AWQNUYMJSA-N 2 0 234.387 2.591 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]([NH3+])C(C)C)C[C@H](C1)C2 ZINC001246333941 987742854 /nfs/dbraw/zinc/74/28/54/987742854.db2.gz SEDLUSLSJQOTJF-IXXDHKBRSA-N 2 0 236.403 2.694 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@](C)([NH3+])C3)C[C@H](C1)C2 ZINC001246533031 987890981 /nfs/dbraw/zinc/89/09/81/987890981.db2.gz ZHEBICWCIPRCFZ-IXXDHKBRSA-N 2 0 234.387 2.544 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001246540045 987902249 /nfs/dbraw/zinc/90/22/49/987902249.db2.gz FBRURWNMQSLXMP-QGPPMGRFSA-N 2 0 248.414 2.935 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246573122 988066816 /nfs/dbraw/zinc/06/68/16/988066816.db2.gz GGCIOMKCQLSECG-KGLIPLIRSA-N 2 0 224.392 2.792 20 30 BFEDRP N#CCC1CCC([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246580185 988111318 /nfs/dbraw/zinc/11/13/18/988111318.db2.gz FNCNNDRXVIBPKJ-SLTAFYQDSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@@]1(C[NH3+])CCCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246586297 988142571 /nfs/dbraw/zinc/14/25/71/988142571.db2.gz SWUHGEVKUNILAP-NRXISQOPSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@H](CCCC#N)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246594337 988183070 /nfs/dbraw/zinc/18/30/70/988183070.db2.gz PZPVMWLADPAYHG-ZIAGYGMSSA-N 2 0 237.391 2.520 20 30 BFEDRP CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659760 988392836 /nfs/dbraw/zinc/39/28/36/988392836.db2.gz GNCXLGJNFYVVLU-YIYPIFLZSA-N 2 0 224.392 2.624 20 30 BFEDRP C=CC[NH+](CC=C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246812454 988494517 /nfs/dbraw/zinc/49/45/17/988494517.db2.gz DLBDLNIQJGHPON-UHFFFAOYSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CC[N@@H+]([C@H](C)CC[NH2+]C)C1CCCCC1 ZINC001246944271 988781178 /nfs/dbraw/zinc/78/11/78/988781178.db2.gz BTSBPZQUMQFYJW-CYBMUJFWSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[NH3+] ZINC001258721147 991653217 /nfs/dbraw/zinc/65/32/17/991653217.db2.gz NUIWETSECPTKNF-GFCCVEGCSA-N 2 0 218.344 2.590 20 30 BFEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001258734312 991681523 /nfs/dbraw/zinc/68/15/23/991681523.db2.gz WMYJLCRCXJTFKI-KKUMJFAQSA-N 2 0 236.403 2.615 20 30 BFEDRP C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1)C(C)(C)C ZINC001574503537 992869925 /nfs/dbraw/zinc/86/99/25/992869925.db2.gz AJBUDTXPAQNKPN-XGUBFFRZSA-N 2 0 248.414 2.545 20 30 BFEDRP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001574836500 992923837 /nfs/dbraw/zinc/92/38/37/992923837.db2.gz NSZWNXFMTDFVES-MRXNPFEDSA-N 2 0 244.382 2.674 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574907563 992942370 /nfs/dbraw/zinc/94/23/70/992942370.db2.gz RDGGTDZTVPSUFJ-ZNMIVQPWSA-N 2 0 236.403 2.996 20 30 BFEDRP C=CC[N@H+](Cc1ccccc1)CC1(C[NH3+])CCC1 ZINC001574933572 992946653 /nfs/dbraw/zinc/94/66/53/992946653.db2.gz XDCILFCCYBJKMF-UHFFFAOYSA-N 2 0 244.382 2.804 20 30 BFEDRP CC(C)(C#N)CCCCN1C2CCC1(C[NH3+])CC2 ZINC001575081595 992986430 /nfs/dbraw/zinc/98/64/30/992986430.db2.gz KMMQKJKTWLEEOF-UHFFFAOYSA-N 2 0 249.402 2.662 20 30 BFEDRP CCCCCCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382756616 993468248 /nfs/dbraw/zinc/46/82/48/993468248.db2.gz QELSGEJGUFFDCG-CQSZACIVSA-N 2 0 226.408 2.888 20 30 BFEDRP CCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000383646503 993506805 /nfs/dbraw/zinc/50/68/05/993506805.db2.gz CMSGWAQCBGSBGM-HUUCEWRRSA-N 2 0 238.419 2.888 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC001577430296 993662889 /nfs/dbraw/zinc/66/28/89/993662889.db2.gz ZVYFLMDFLWXJKN-GFCCVEGCSA-N 2 0 212.381 2.687 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344290820 365676742 /nfs/dbraw/zinc/67/67/42/365676742.db2.gz CVQGVIJZTAGCAX-RRFJBIMHSA-N 2 0 236.403 2.948 20 30 BFEDRP C[NH+](C)C1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602695564 349692384 /nfs/dbraw/zinc/69/23/84/349692384.db2.gz AIXGAKXXJWKYPA-UHFFFAOYSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000336686693 346917287 /nfs/dbraw/zinc/91/72/87/346917287.db2.gz FBUNOALRERTZFO-RRFJBIMHSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000126822700 343171174 /nfs/dbraw/zinc/17/11/74/343171174.db2.gz SYTOTSFXANDASC-ZDUSSCGKSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000625704457 344048771 /nfs/dbraw/zinc/04/87/71/344048771.db2.gz YBKVNKDHVQXABN-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000583451519 344999208 /nfs/dbraw/zinc/99/92/08/344999208.db2.gz XOLWWRUTYNRWSJ-ZFWWWQNUSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000635024219 345224789 /nfs/dbraw/zinc/22/47/89/345224789.db2.gz UNRUWSZCHZXIJJ-NEPJUHHUSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013503 345218298 /nfs/dbraw/zinc/21/82/98/345218298.db2.gz YSAYYQZJOANZHH-BFHYXJOUSA-N 2 0 238.419 2.955 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000635020122 345222940 /nfs/dbraw/zinc/22/29/40/345222940.db2.gz JUGBGSARHMSWFC-STQMWFEESA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309715268 347146834 /nfs/dbraw/zinc/14/68/34/347146834.db2.gz SODZJGPMYLGZGC-IHRRRGAJSA-N 2 0 222.376 2.558 20 30 BFEDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000598981245 349070982 /nfs/dbraw/zinc/07/09/82/349070982.db2.gz VZXOSJXDDAQHOV-IHRRRGAJSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179251 323205420 /nfs/dbraw/zinc/20/54/20/323205420.db2.gz RDBZIAWLFUXRNW-QWHCGFSZSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571850795 323492976 /nfs/dbraw/zinc/49/29/76/323492976.db2.gz AABPGRQPYAPTIV-UHFFFAOYSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121689937 324017604 /nfs/dbraw/zinc/01/76/04/324017604.db2.gz AMKSIUODITWGPO-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C1CCC([NH3+])CC1 ZINC000423213647 192630515 /nfs/dbraw/zinc/63/05/15/192630515.db2.gz KHNOBPOYVROVRK-MOKVOYLWSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193306913 357874170 /nfs/dbraw/zinc/87/41/70/357874170.db2.gz NSASMERFKYEKPK-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000129947910 358602835 /nfs/dbraw/zinc/60/28/35/358602835.db2.gz VTXXMLMFTNOLTM-ZBFHGGJFSA-N 2 0 244.382 2.630 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353445 192725881 /nfs/dbraw/zinc/72/58/81/192725881.db2.gz BSCDQNVYYJVHAO-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423536404 192805185 /nfs/dbraw/zinc/80/51/85/192805185.db2.gz HTTXAPYBGFHQFP-OAHLLOKOSA-N 2 0 234.387 2.631 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629528197 361133012 /nfs/dbraw/zinc/13/30/12/361133012.db2.gz SAODXOVSDVOWIU-HZSPNIEDSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000629549119 361435490 /nfs/dbraw/zinc/43/54/90/361435490.db2.gz ISBBGIHKZRCWOW-OAHLLOKOSA-N 2 0 236.403 2.664 20 30 BFEDRP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000573674925 364889547 /nfs/dbraw/zinc/88/95/47/364889547.db2.gz NUNNBJZNCNHFRT-OAHLLOKOSA-N 2 0 245.370 2.599 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000386812299 368024090 /nfs/dbraw/zinc/02/40/90/368024090.db2.gz RYTKEHLHLNLDOV-QLFBSQMISA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000568239942 326332672 /nfs/dbraw/zinc/33/26/72/326332672.db2.gz VOSUBSWBPUCXQI-ZIAGYGMSSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120989 371321499 /nfs/dbraw/zinc/32/14/99/371321499.db2.gz LHCSIISYCBCXGD-ZNMIVQPWSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]Cc1cnc(C)n1C ZINC000631220061 372243559 /nfs/dbraw/zinc/24/35/59/372243559.db2.gz PRWFJTNUGYTJMA-UHFFFAOYSA-N 2 0 235.375 2.811 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000631222362 372244919 /nfs/dbraw/zinc/24/49/19/372244919.db2.gz WKSDQHRIBFPPJV-STQMWFEESA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367597362 384492296 /nfs/dbraw/zinc/49/22/96/384492296.db2.gz MSOQWWQFEAARHC-RRFJBIMHSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449484585 385186274 /nfs/dbraw/zinc/18/62/74/385186274.db2.gz IBTPWVDUCUMHQD-QWHCGFSZSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449484584 385187571 /nfs/dbraw/zinc/18/75/71/385187571.db2.gz IBTPWVDUCUMHQD-OLZOCXBDSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CC1 ZINC000309586019 385711306 /nfs/dbraw/zinc/71/13/06/385711306.db2.gz RUAVXCPXBPZYTF-GXTWGEPZSA-N 2 0 224.392 2.519 20 30 BFEDRP N#CC1CCC(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335023178 385983210 /nfs/dbraw/zinc/98/32/10/385983210.db2.gz OMVAUXCCWGKHDR-CVSAEHQPSA-N 2 0 249.402 2.566 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347107241 386252579 /nfs/dbraw/zinc/25/25/79/386252579.db2.gz VCNALPKRROAORR-AWEZNQCLSA-N 2 0 232.327 2.501 20 30 BFEDRP C=CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647885020 386272030 /nfs/dbraw/zinc/27/20/30/386272030.db2.gz YFBYTCYZLXHVQH-UHFFFAOYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325874 387229952 /nfs/dbraw/zinc/22/99/52/387229952.db2.gz JXRBZQHJUVLONO-OLZOCXBDSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423380831 387261757 /nfs/dbraw/zinc/26/17/57/387261757.db2.gz YTQQHSZYCGBHAR-BFHYXJOUSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395143 387281597 /nfs/dbraw/zinc/28/15/97/387281597.db2.gz RSXKUEYSUSCDSV-CHWSQXEVSA-N 2 0 244.382 2.980 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423460271 387307993 /nfs/dbraw/zinc/30/79/93/387307993.db2.gz MHCBQJCJCFKQDY-MCIONIFRSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423548348 387371326 /nfs/dbraw/zinc/37/13/26/387371326.db2.gz QTLSXIQRKSSSQE-YYFQZIEXSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551780 387373602 /nfs/dbraw/zinc/37/36/02/387373602.db2.gz JNPWXJJHNOUKEJ-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP CC1(C#N)CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423477208 387325060 /nfs/dbraw/zinc/32/50/60/387325060.db2.gz JUEPPRMREVWGPM-NFOMZHRRSA-N 2 0 249.402 2.581 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508154 387477704 /nfs/dbraw/zinc/47/77/04/387477704.db2.gz PDKZKKPXKBVJFL-QWHCGFSZSA-N 2 0 212.381 2.565 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527929041 387793079 /nfs/dbraw/zinc/79/30/79/387793079.db2.gz VWIMNRWJKRFNCD-STQMWFEESA-N 2 0 224.392 2.661 20 30 BFEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422996535 387802413 /nfs/dbraw/zinc/80/24/13/387802413.db2.gz MLBUWKDJFWHGAX-GUTXKFCHSA-N 2 0 245.370 2.747 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643478028 387803122 /nfs/dbraw/zinc/80/31/22/387803122.db2.gz OOSWGEZYIBFHFY-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000423000099 387805074 /nfs/dbraw/zinc/80/50/74/387805074.db2.gz URXWOWYQHORRCO-ZFWWWQNUSA-N 2 0 245.370 2.748 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422999395 387805953 /nfs/dbraw/zinc/80/59/53/387805953.db2.gz SMBYENOJVJRRQD-CJNGLKHVSA-N 2 0 244.382 2.891 20 30 BFEDRP N#CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973845 387823895 /nfs/dbraw/zinc/82/38/95/387823895.db2.gz PRBUUCFYNGWDSF-QLFBSQMISA-N 2 0 249.402 2.581 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423138108 387915408 /nfs/dbraw/zinc/91/54/08/387915408.db2.gz SBVMMEUGRFOSIP-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423137792 387916909 /nfs/dbraw/zinc/91/69/09/387916909.db2.gz ROBUWUOWXXUAPU-STQMWFEESA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423137789 387917077 /nfs/dbraw/zinc/91/70/77/387917077.db2.gz ROBUWUOWXXUAPU-CHWSQXEVSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423168845 387955073 /nfs/dbraw/zinc/95/50/73/387955073.db2.gz YVWHIYRYDYFPOU-KGLIPLIRSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423168846 387955535 /nfs/dbraw/zinc/95/55/35/387955535.db2.gz YVWHIYRYDYFPOU-UONOGXRCSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423160580 387940625 /nfs/dbraw/zinc/94/06/25/387940625.db2.gz ZTEKLUYYJMGAAW-LLVKDONJSA-N 2 0 247.386 2.712 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175054 387962238 /nfs/dbraw/zinc/96/22/38/387962238.db2.gz CRTQRSBWBKOFLE-QWHCGFSZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423214683 387998377 /nfs/dbraw/zinc/99/83/77/387998377.db2.gz LUGLLTWPQDVCJH-MCIONIFRSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254048 388034774 /nfs/dbraw/zinc/03/47/74/388034774.db2.gz WWEPVGDHENRHES-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423259790 388038884 /nfs/dbraw/zinc/03/88/84/388038884.db2.gz OWBNOIRHEDYKIG-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453308704 388040804 /nfs/dbraw/zinc/04/08/04/388040804.db2.gz NKTQJMPDHFJHQF-MCIONIFRSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277374 388058984 /nfs/dbraw/zinc/05/89/84/388058984.db2.gz PLLOZXTVUYFNAB-OLZOCXBDSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000449252102 388162677 /nfs/dbraw/zinc/16/26/77/388162677.db2.gz QCIPOSHYMWGAQA-CQSZACIVSA-N 2 0 236.403 2.973 20 30 BFEDRP C=C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000489484733 388217148 /nfs/dbraw/zinc/21/71/48/388217148.db2.gz XOTHMGNMKZEFPI-UONOGXRCSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CCC[NH2+]C(C)C ZINC000520216722 256665482 /nfs/dbraw/zinc/66/54/82/256665482.db2.gz WFTMAZRIUGZEAJ-ZDUSSCGKSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355581738 134173977 /nfs/dbraw/zinc/17/39/77/134173977.db2.gz KJJPKUGJWNDCEM-WLYUNCDWSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000368446474 134218354 /nfs/dbraw/zinc/21/83/54/134218354.db2.gz XHZHXPAMZWMQMP-XHSDSOJGSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000371720901 134229345 /nfs/dbraw/zinc/22/93/45/134229345.db2.gz COPFSZGYCQHQJR-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C[C@H](CN1CCCCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185775216 134394899 /nfs/dbraw/zinc/39/48/99/134394899.db2.gz KPKDDHYFUZOFRA-ILXRZTDVSA-N 2 0 249.402 2.533 20 30 BFEDRP C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185775157 134395067 /nfs/dbraw/zinc/39/50/67/134395067.db2.gz KPKDDHYFUZOFRA-SOUVJXGZSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338568847 135040577 /nfs/dbraw/zinc/04/05/77/135040577.db2.gz AEPYZDMXPGYUML-KGLIPLIRSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC[NH+](C)Cc1ccc(C[N@H+](C)CC=C)cc1 ZINC000121308464 135222505 /nfs/dbraw/zinc/22/25/05/135222505.db2.gz LVIZMSVIJVRTIW-UHFFFAOYSA-N 2 0 244.382 2.922 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000121964026 135226214 /nfs/dbraw/zinc/22/62/14/135226214.db2.gz LOTCQVZWHYRIKL-IHRRRGAJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336776172 397910449 /nfs/dbraw/zinc/91/04/49/397910449.db2.gz DYSXMBDOUNRRHF-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[N@H+](C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884923 397925811 /nfs/dbraw/zinc/92/58/11/397925811.db2.gz LBWHHIKAZIMHAV-OAHLLOKOSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCCNCc1cccnc1 ZINC000414875127 398078122 /nfs/dbraw/zinc/07/81/22/398078122.db2.gz IPNWBYXHKYTKHM-CQSZACIVSA-N 2 0 247.386 2.506 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000651967539 409807295 /nfs/dbraw/zinc/80/72/95/409807295.db2.gz JUTVVGDAYVSNBI-MCIONIFRSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000126733509 166294104 /nfs/dbraw/zinc/29/41/04/166294104.db2.gz TTYKYKBCUGCMBO-CQSZACIVSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)C1 ZINC000651678541 411135021 /nfs/dbraw/zinc/13/50/21/411135021.db2.gz TVKFUBAXDPETRO-QKPAOTATSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000651678540 411135042 /nfs/dbraw/zinc/13/50/42/411135042.db2.gz TVKFUBAXDPETRO-FXUDXRNXSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000651706114 411137254 /nfs/dbraw/zinc/13/72/54/411137254.db2.gz SVCDMIZRRYBPJP-RDBSUJKOSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000656201140 411206329 /nfs/dbraw/zinc/20/63/29/411206329.db2.gz TVKQQSAKHGZJRT-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655803235 411518278 /nfs/dbraw/zinc/51/82/78/411518278.db2.gz OBQIAQCQSXEWAV-ZQDZILKHSA-N 2 0 236.403 2.661 20 30 BFEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)C1CC1)C1CC1 ZINC000661763062 411873929 /nfs/dbraw/zinc/87/39/29/411873929.db2.gz ZYKVTUAYBYLXTO-IYBDPMFKSA-N 2 0 248.414 2.546 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662299812 412087133 /nfs/dbraw/zinc/08/71/33/412087133.db2.gz XNPIUPDYYZGCFE-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000245930492 323007686 /nfs/dbraw/zinc/00/76/86/323007686.db2.gz JBWABAIRIUOOHZ-UKRRQHHQSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219209 323217841 /nfs/dbraw/zinc/21/78/41/323217841.db2.gz KXWUFOXYTNZZKM-KGLIPLIRSA-N 2 0 234.387 2.605 20 30 BFEDRP C=C(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000130759909 325083865 /nfs/dbraw/zinc/08/38/65/325083865.db2.gz LWYSCEOUCGWRMO-UHFFFAOYSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546686033 325301396 /nfs/dbraw/zinc/30/13/96/325301396.db2.gz LMJPADCCMGUIPQ-CQSZACIVSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717632 490522049 /nfs/dbraw/zinc/52/20/49/490522049.db2.gz HULPEEBGYXROMB-NSHDSACASA-N 2 0 236.334 2.729 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356791572 534355416 /nfs/dbraw/zinc/35/54/16/534355416.db2.gz UAZNLMQOYOPQLX-UONOGXRCSA-N 2 0 238.419 2.909 20 30 BFEDRP C=C(CC)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924471 534371243 /nfs/dbraw/zinc/37/12/43/534371243.db2.gz ZKTLGZOSSHRIQR-PBWFPOADSA-N 2 0 222.376 2.510 20 30 BFEDRP C=C(CC)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000358502019 534386676 /nfs/dbraw/zinc/38/66/76/534386676.db2.gz UPCLJMYYQDQNHT-OAHLLOKOSA-N 2 0 236.403 2.903 20 30 BFEDRP C=C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358317032 534665909 /nfs/dbraw/zinc/66/59/09/534665909.db2.gz JURDALDXSSASAF-ZDUSSCGKSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000309346678 534694358 /nfs/dbraw/zinc/69/43/58/534694358.db2.gz WPEYTSLAOZFWSJ-MGPQQGTHSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366620006 534721170 /nfs/dbraw/zinc/72/11/70/534721170.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 2 0 248.414 2.901 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227424 588781087 /nfs/dbraw/zinc/78/10/87/588781087.db2.gz OIRSSZBBYIJUTE-WLYUNCDWSA-N 2 0 236.403 2.853 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000112706149 588813100 /nfs/dbraw/zinc/81/31/00/588813100.db2.gz CXUKYJPNTVCBSP-CQSZACIVSA-N 2 0 226.408 2.888 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880136733 583471863 /nfs/dbraw/zinc/47/18/63/583471863.db2.gz RBIZSAQGRXUVKI-GJZGRUSLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293633 583639817 /nfs/dbraw/zinc/63/98/17/583639817.db2.gz IJXYGYNQDKLGTN-OLZOCXBDSA-N 2 0 212.381 2.661 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902442009 584597709 /nfs/dbraw/zinc/59/77/09/584597709.db2.gz GQEBAZOCKUSORY-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP N#CC1(CCCC[N@H+]2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000903713655 584793411 /nfs/dbraw/zinc/79/34/11/584793411.db2.gz YWFVEIUODPCMKF-AWEZNQCLSA-N 2 0 249.402 2.521 20 30 BFEDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744279 584796503 /nfs/dbraw/zinc/79/65/03/584796503.db2.gz QTYRMZZSZIZMCF-KBPBESRZSA-N 2 0 249.402 2.520 20 30 BFEDRP C#CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465589 585284990 /nfs/dbraw/zinc/28/49/90/585284990.db2.gz PAWFBPOGZPIHCW-LSDHHAIUSA-N 2 0 248.414 2.642 20 30 BFEDRP C=CC[NH+](CC#CC[N@@H+](CC=C)C(C)C)C(C)C ZINC000792863609 586006125 /nfs/dbraw/zinc/00/61/25/586006125.db2.gz ZJNXCPBVUFBYPM-UHFFFAOYSA-N 2 0 248.414 2.783 20 30 BFEDRP CCC#C[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177572 586165680 /nfs/dbraw/zinc/16/56/80/586165680.db2.gz VIRPOTCIVHKTEA-OAHLLOKOSA-N 2 0 248.414 2.596 20 30 BFEDRP CCCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817914284 586839736 /nfs/dbraw/zinc/83/97/36/586839736.db2.gz YAXPQPRFXQCFIU-STQMWFEESA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000817937178 586844337 /nfs/dbraw/zinc/84/43/37/586844337.db2.gz UMHMPVFMCDDZPB-CYBMUJFWSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000817978469 586861635 /nfs/dbraw/zinc/86/16/35/586861635.db2.gz BRJPKMUKHJCKLW-XQQFMLRXSA-N 2 0 212.381 2.837 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259491 590013543 /nfs/dbraw/zinc/01/35/43/590013543.db2.gz FXTYAQKTBHYHTE-LXFSFDBISA-N 2 0 236.403 2.707 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000873267484 590015534 /nfs/dbraw/zinc/01/55/34/590015534.db2.gz DSPBVEVELMKITI-IUODEOHRSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CNCC[C@H]1C ZINC000873280667 590017845 /nfs/dbraw/zinc/01/78/45/590017845.db2.gz USYZINIJUYBLHH-CHWSQXEVSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000873279466 590017849 /nfs/dbraw/zinc/01/78/49/590017849.db2.gz IUNCUQOBWSBXSK-VXGBXAGGSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000873281073 590018886 /nfs/dbraw/zinc/01/88/86/590018886.db2.gz XGOTUWMEPIJFKO-UONOGXRCSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000873281071 590018896 /nfs/dbraw/zinc/01/88/96/590018896.db2.gz XGOTUWMEPIJFKO-KBPBESRZSA-N 2 0 238.419 2.957 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@@H]1CCCN1CC ZINC000876881966 590252872 /nfs/dbraw/zinc/25/28/72/590252872.db2.gz VIRICSUNNQAIFA-HNNXBMFYSA-N 2 0 236.403 2.644 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876929888 590258422 /nfs/dbraw/zinc/25/84/22/590258422.db2.gz OPWRPPKVBWNROQ-OAHLLOKOSA-N 2 0 248.414 2.644 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H](C)CN(C)C(C)C ZINC000877539117 590350666 /nfs/dbraw/zinc/35/06/66/590350666.db2.gz IYLLVFNZBBYRSO-HNNXBMFYSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149349 590506003 /nfs/dbraw/zinc/50/60/03/590506003.db2.gz WHNVUELNVTWUSW-KBPBESRZSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878157122 590509034 /nfs/dbraw/zinc/50/90/34/590509034.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 2 0 236.403 2.615 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878159510 590510480 /nfs/dbraw/zinc/51/04/80/590510480.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(C)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474225 591053196 /nfs/dbraw/zinc/05/31/96/591053196.db2.gz VFRKKKMKWIDERQ-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439014 591667595 /nfs/dbraw/zinc/66/75/95/591667595.db2.gz HBXYCNNXOSCRQQ-GXTWGEPZSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886710869 592308350 /nfs/dbraw/zinc/30/83/50/592308350.db2.gz HYKHHLUWLKUEIL-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP CCC1([NH+]2CCC2)CC[NH+](CCCCC#N)CC1 ZINC000886710607 592308909 /nfs/dbraw/zinc/30/89/09/592308909.db2.gz BURCJOIOMADGTK-UHFFFAOYSA-N 2 0 249.402 2.631 20 30 BFEDRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000925736818 634589642 /nfs/dbraw/zinc/58/96/42/634589642.db2.gz CMHWXKNZTUDGLR-AWEZNQCLSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1C/C=C/C[N@H+]1CC[C@H]1CC=C ZINC000934460561 631848324 /nfs/dbraw/zinc/84/83/24/631848324.db2.gz QKURHOQXYWTULU-DOOVEFGSSA-N 2 0 246.398 2.843 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309240765 632834401 /nfs/dbraw/zinc/83/44/01/632834401.db2.gz WQJVNBPIZAAZAR-KGLIPLIRSA-N 2 0 224.392 2.982 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232952132 642637835 /nfs/dbraw/zinc/63/78/35/642637835.db2.gz LSLVCRKYEWIGES-CYBMUJFWSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925643537 646384038 /nfs/dbraw/zinc/38/40/38/646384038.db2.gz WMOUPACPTJXVTB-CYBMUJFWSA-N 2 0 222.376 2.607 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925685010 646411048 /nfs/dbraw/zinc/41/10/48/646411048.db2.gz CIAMUBBYLYMRPL-AWEZNQCLSA-N 2 0 248.414 2.997 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925730071 646453794 /nfs/dbraw/zinc/45/37/94/646453794.db2.gz NLBCBOYSXPOORJ-STQMWFEESA-N 2 0 236.403 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755261 646463709 /nfs/dbraw/zinc/46/37/09/646463709.db2.gz CYURVMOZRXICBP-ZDUSSCGKSA-N 2 0 224.392 2.935 20 30 BFEDRP CCC1([NH3+])CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC000925760985 646467259 /nfs/dbraw/zinc/46/72/59/646467259.db2.gz WAIKJMKITBDCIH-UHFFFAOYSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783230 646479035 /nfs/dbraw/zinc/47/90/35/646479035.db2.gz DNFBROMGHNXFJK-RDBSUJKOSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796765 646487588 /nfs/dbraw/zinc/48/75/88/646487588.db2.gz DOVPBBFPCFERGI-MCIONIFRSA-N 2 0 224.392 2.566 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000703726122 712085891 /nfs/dbraw/zinc/08/58/91/712085891.db2.gz CYJKKPSKKWLXMC-CHWSQXEVSA-N 2 0 212.381 2.674 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000715054221 712505067 /nfs/dbraw/zinc/50/50/67/712505067.db2.gz PKYWBPDPHYAONE-GFCCVEGCSA-N 2 0 224.392 2.648 20 30 BFEDRP C=C1CCC(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000724488538 710742179 /nfs/dbraw/zinc/74/21/79/710742179.db2.gz ITQNVMYLYKYSOH-CYBMUJFWSA-N 2 0 224.392 2.840 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390150453 711107635 /nfs/dbraw/zinc/10/76/35/711107635.db2.gz TYPHTABDUWBQCZ-KGLIPLIRSA-N 2 0 224.392 2.641 20 30 BFEDRP C=C1CCC(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000724566066 710742140 /nfs/dbraw/zinc/74/21/40/710742140.db2.gz KJSPNHSBGQILQN-UHFFFAOYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000724446207 711580832 /nfs/dbraw/zinc/58/08/32/711580832.db2.gz DVKZWZQGCIITBM-BZUAXINKSA-N 2 0 248.414 2.711 20 30 BFEDRP C=CC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393773725 711677781 /nfs/dbraw/zinc/67/77/81/711677781.db2.gz KZONKNXXTQLBIV-FUDCBSFHSA-N 2 0 222.376 2.556 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000703642892 712081875 /nfs/dbraw/zinc/08/18/75/712081875.db2.gz DWEYSRXKMKRKIX-CQSZACIVSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000703642891 712082252 /nfs/dbraw/zinc/08/22/52/712082252.db2.gz DWEYSRXKMKRKIX-AWEZNQCLSA-N 2 0 224.392 2.794 20 30 BFEDRP CCCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000703718271 712084382 /nfs/dbraw/zinc/08/43/82/712084382.db2.gz UKTUEGUJTUXRGD-STQMWFEESA-N 2 0 224.392 2.816 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000703718266 712084486 /nfs/dbraw/zinc/08/44/86/712084486.db2.gz UKTUEGUJTUXRGD-CHWSQXEVSA-N 2 0 224.392 2.816 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000704006601 712096115 /nfs/dbraw/zinc/09/61/15/712096115.db2.gz VJCGUXVMJYYJPL-QWHCGFSZSA-N 2 0 236.403 2.838 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250806626 712834923 /nfs/dbraw/zinc/83/49/23/712834923.db2.gz FWIZURZHNFLWNO-OLZOCXBDSA-N 2 0 212.381 2.768 20 30 BFEDRP C=CC[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)C ZINC001207401193 968752653 /nfs/dbraw/zinc/75/26/53/968752653.db2.gz NWWKCRXCRRFHTD-UHFFFAOYSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C[C@](C)(O)C[NH2+]CC[PH+](C(C)C)C(C)C ZINC001252584146 968836855 /nfs/dbraw/zinc/83/68/55/968836855.db2.gz YORQNZBHJFFCBX-ZDUSSCGKSA-N 2 0 245.347 2.812 20 30 BFEDRP CCCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003166 978948992 /nfs/dbraw/zinc/94/89/92/978948992.db2.gz KKKISEPGULTZLJ-KBPBESRZSA-N 2 0 224.392 2.783 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241048 979003525 /nfs/dbraw/zinc/00/35/25/979003525.db2.gz QHWIEVLAHZQEGM-HUUCEWRRSA-N 2 0 236.403 2.936 20 30 BFEDRP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958886 979227695 /nfs/dbraw/zinc/22/76/95/979227695.db2.gz KWICLPBVWHCDGC-BTTYYORXSA-N 2 0 224.392 2.626 20 30 BFEDRP CCC[C@H](C)N/C(C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257317459 971217813 /nfs/dbraw/zinc/21/78/13/971217813.db2.gz ZOARBPUMOCCCSL-LBPRGKRZSA-N 2 0 247.386 2.842 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209432876 957465226 /nfs/dbraw/zinc/46/52/26/957465226.db2.gz LTXZQUAOWCTTRA-HUUCEWRRSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237744 972421745 /nfs/dbraw/zinc/42/17/45/972421745.db2.gz RYSXVTDGWCPUFX-HNNXBMFYSA-N 2 0 236.403 2.951 20 30 BFEDRP CCCCCCC[C@H](C)[NH+]1CC(C[NH3+])C1 ZINC000712588168 962932355 /nfs/dbraw/zinc/93/23/55/962932355.db2.gz XGHBAJHDZLDKQT-LBPRGKRZSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCc1cc(C)cnc1NC1(C)CC[NH2+]CC1 ZINC001168183273 963939945 /nfs/dbraw/zinc/93/99/45/963939945.db2.gz AVJVGBGMDUQQCU-UHFFFAOYSA-N 2 0 245.370 2.673 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236817179 966555220 /nfs/dbraw/zinc/55/52/20/966555220.db2.gz ABAXFOIEXXSWIT-SOUVJXGZSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204937826 967243850 /nfs/dbraw/zinc/24/38/50/967243850.db2.gz HBSLMLOPRIKXNY-AWEZNQCLSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153337 969464871 /nfs/dbraw/zinc/46/48/71/969464871.db2.gz JDBWBCIXGTZLAQ-QDMKHBRRSA-N 2 0 236.403 2.900 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209432452 969500125 /nfs/dbraw/zinc/50/01/25/969500125.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 0 236.403 2.759 20 30 BFEDRP C[N@@H+]1CCC[C@H]([NH2+]CCCCCCS)CC1 ZINC001254511677 969679574 /nfs/dbraw/zinc/67/95/74/969679574.db2.gz CDZJXHGDEVLVRD-ZDUSSCGKSA-N 2 0 244.448 2.551 20 30 BFEDRP CC[C@@H](CC#N)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255164483 969972064 /nfs/dbraw/zinc/97/20/64/969972064.db2.gz MVVXLFXXDAFTRK-KGLIPLIRSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CCCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400711661 970619327 /nfs/dbraw/zinc/61/93/27/970619327.db2.gz MJNPMQUSWRUADB-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001172487260 974831418 /nfs/dbraw/zinc/83/14/18/974831418.db2.gz GRSUXKDKVHWODC-ZDUSSCGKSA-N 2 0 249.402 2.675 20 30 BFEDRP C#CC(C)(C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173104608 975021996 /nfs/dbraw/zinc/02/19/96/975021996.db2.gz JJAFHEDYGFYHPE-UHFFFAOYSA-N 2 0 236.403 2.641 20 30 BFEDRP CC(C)[N@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173585073 975422228 /nfs/dbraw/zinc/42/22/28/975422228.db2.gz ZBRRJFPGFFXXAK-UHFFFAOYSA-N 2 0 237.391 2.518 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235025237 978956176 /nfs/dbraw/zinc/95/61/76/978956176.db2.gz YFMPSXUJULBLKE-OAHLLOKOSA-N 2 0 246.398 2.584 20 30 BFEDRP C=CCCCCCCCC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209975 978999319 /nfs/dbraw/zinc/99/93/19/978999319.db2.gz GZJDVKKVEZRTAQ-FICVDOATSA-N 2 0 236.403 2.792 20 30 BFEDRP CCCCCCCC[N@H+](C)CCC1C[NH2+]C1 ZINC001235664792 979111756 /nfs/dbraw/zinc/11/17/56/979111756.db2.gz WFIKXJXMJNFHRK-UHFFFAOYSA-N 2 0 226.408 2.888 20 30 BFEDRP C#C[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235946748 979219764 /nfs/dbraw/zinc/21/97/64/979219764.db2.gz RNYDCYKPBOKDSM-HNNXBMFYSA-N 2 0 248.414 2.644 20 30 BFEDRP C=C(C)C[N@@H+](CC)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235949980 979222203 /nfs/dbraw/zinc/22/22/03/979222203.db2.gz LJUGMVNIZVOAPH-UHFFFAOYSA-N 2 0 244.382 2.730 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236043679 979333449 /nfs/dbraw/zinc/33/34/49/979333449.db2.gz DDJHCZCSXFFSNZ-ZIAGYGMSSA-N 2 0 224.392 2.792 20 30 BFEDRP C#CC1CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001236095185 979384540 /nfs/dbraw/zinc/38/45/40/979384540.db2.gz DVFOULWLNHUWDM-UHFFFAOYSA-N 2 0 248.414 2.644 20 30 BFEDRP C=CC[N@@H+](CCCC[NH3+])C1CCCCC1 ZINC001236433401 979597102 /nfs/dbraw/zinc/59/71/02/979597102.db2.gz INXXJXAUXOHIBL-UHFFFAOYSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CCCCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414751 979586241 /nfs/dbraw/zinc/58/62/41/979586241.db2.gz SFTURGODGYVRLD-FICVDOATSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC001236603596 979678183 /nfs/dbraw/zinc/67/81/83/979678183.db2.gz AQJRUPDAFVTLPG-HZPDHXFCSA-N 2 0 248.414 2.960 20 30 BFEDRP C=CC[C@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC001200526182 983109613 /nfs/dbraw/zinc/10/96/13/983109613.db2.gz OMHPWAYTAUAXRE-NSHDSACASA-N 2 0 247.367 2.988 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865604 985923960 /nfs/dbraw/zinc/92/39/60/985923960.db2.gz YNHQSMQRCMPDTD-CABCVRRESA-N 2 0 238.419 2.840 20 30 BFEDRP C#CC(CC)(CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662415 987047346 /nfs/dbraw/zinc/04/73/46/987047346.db2.gz KUZAVNOYDDKNSK-GOOCMWNKSA-N 2 0 248.414 2.783 20 30 BFEDRP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(S)CC1 ZINC001255964018 987099797 /nfs/dbraw/zinc/09/97/97/987099797.db2.gz NJDMCFOMQFYWQR-LBPRGKRZSA-N 2 0 244.448 2.501 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]CCC[NH2+]C ZINC001246111282 987445430 /nfs/dbraw/zinc/44/54/30/987445430.db2.gz IZFYAEDLYHRQAR-CYBMUJFWSA-N 2 0 214.397 2.935 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246123464 987474358 /nfs/dbraw/zinc/47/43/58/987474358.db2.gz AORUBWBJUGRAQF-KGLIPLIRSA-N 2 0 236.403 2.853 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001246189034 987571864 /nfs/dbraw/zinc/57/18/64/987571864.db2.gz LOVTXFZFLPXDLH-RWMBFGLXSA-N 2 0 212.381 2.815 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001246192115 987578214 /nfs/dbraw/zinc/57/82/14/987578214.db2.gz DQKUXFIDRLRHNF-STQMWFEESA-N 2 0 212.381 2.687 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@H]3[NH3+])C[C@H](C1)C2 ZINC001246275617 987668695 /nfs/dbraw/zinc/66/86/95/987668695.db2.gz BCNBEDFESXAULN-JSPOSNOBSA-N 2 0 234.387 2.591 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246280590 987676084 /nfs/dbraw/zinc/67/60/84/987676084.db2.gz OBCUSEXBMMBDHG-LSVZVQIISA-N 2 0 248.414 2.711 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246338876 987748478 /nfs/dbraw/zinc/74/84/78/987748478.db2.gz GZNBRCBHGRLUDC-MJBXVCDLSA-N 2 0 222.376 2.735 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612144 988235584 /nfs/dbraw/zinc/23/55/84/988235584.db2.gz HNPRVFKZVKUISY-HUUCEWRRSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612145 988243199 /nfs/dbraw/zinc/24/31/99/988243199.db2.gz HNPRVFKZVKUISY-LSDHHAIUSA-N 2 0 236.403 2.949 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)C[C@H](C1)C2 ZINC001246631972 988321403 /nfs/dbraw/zinc/32/14/03/988321403.db2.gz SXZIFYJYTXBZJD-YKUJZXIWSA-N 2 0 246.398 2.558 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H](C1)C2 ZINC001246635897 988330620 /nfs/dbraw/zinc/33/06/20/988330620.db2.gz SXZIFYJYTXBZJD-BLNMRFBMSA-N 2 0 246.398 2.558 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644047 988353068 /nfs/dbraw/zinc/35/30/68/988353068.db2.gz PCSQRWPFFPLSCQ-KGLIPLIRSA-N 2 0 222.376 2.559 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858696 988591218 /nfs/dbraw/zinc/59/12/18/988591218.db2.gz HUOYQHVWUVQPHN-IOUZAIRSSA-N 2 0 246.398 2.544 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858695 988594272 /nfs/dbraw/zinc/59/42/72/988594272.db2.gz HUOYQHVWUVQPHN-GOZOTGFRSA-N 2 0 246.398 2.544 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001258766506 991724432 /nfs/dbraw/zinc/72/44/32/991724432.db2.gz WXSVOFGKLRWPIK-HDJSIYSDSA-N 2 0 249.402 2.533 20 30 BFEDRP C#CCCCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258904220 991896084 /nfs/dbraw/zinc/89/60/84/991896084.db2.gz JEBAAEPDHHXKGJ-HNNXBMFYSA-N 2 0 238.419 2.890 20 30 BFEDRP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001574836497 992924544 /nfs/dbraw/zinc/92/45/44/992924544.db2.gz NSZWNXFMTDFVES-INIZCTEOSA-N 2 0 244.382 2.674 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574901464 992943560 /nfs/dbraw/zinc/94/35/60/992943560.db2.gz IKYRJLXICUQIET-KFWWJZLASA-N 2 0 236.403 2.996 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381389712 993391476 /nfs/dbraw/zinc/39/14/76/993391476.db2.gz NBQUJRYOXWGHMO-MELADBBJSA-N 2 0 224.392 2.626 20 30 BFEDRP CCCCCCC[N@H+](C)CCCC[NH3+] ZINC000385225001 993654743 /nfs/dbraw/zinc/65/47/43/993654743.db2.gz HRDZGKMDZPCAEB-UHFFFAOYSA-N 2 0 200.370 2.628 20 30 BFEDRP C=C(C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423023834 398163238 /nfs/dbraw/zinc/16/32/38/398163238.db2.gz IEBWZJKYBVLQBN-XJKSGUPXSA-N 2 0 244.382 2.678 20 30 BFEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000602519975 349573779 /nfs/dbraw/zinc/57/37/79/349573779.db2.gz CBAGEICJYBTLSE-CYBMUJFWSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401049138 488180770 /nfs/dbraw/zinc/18/07/70/488180770.db2.gz SITFWPIYEDTUAF-BYNSBNAKSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000336686695 346917431 /nfs/dbraw/zinc/91/74/31/346917431.db2.gz FBUNOALRERTZFO-SOUVJXGZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000235614488 343054744 /nfs/dbraw/zinc/05/47/44/343054744.db2.gz TXJUOVGKRNMXET-UONOGXRCSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000625704458 344048629 /nfs/dbraw/zinc/04/86/29/344048629.db2.gz YBKVNKDHVQXABN-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)C[NH+](C)CCCC[N@@H+](C)CC(=C)C ZINC000118401498 344508714 /nfs/dbraw/zinc/50/87/14/344508714.db2.gz JVEQASVLRYMLHA-UHFFFAOYSA-N 2 0 224.392 2.782 20 30 BFEDRP C=C(CC)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000358512500 344570320 /nfs/dbraw/zinc/57/03/20/344570320.db2.gz TVUAAZPDOZWKQB-OAHLLOKOSA-N 2 0 236.403 2.616 20 30 BFEDRP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358503685 344565397 /nfs/dbraw/zinc/56/53/97/344565397.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000635024222 345224907 /nfs/dbraw/zinc/22/49/07/345224907.db2.gz UNRUWSZCHZXIJJ-VXGBXAGGSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000635016509 345221731 /nfs/dbraw/zinc/22/17/31/345221731.db2.gz CGEPWIYXSCRWMS-ZIAGYGMSSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000635020151 345223605 /nfs/dbraw/zinc/22/36/05/345223605.db2.gz KLSPAKJNRUGMDI-OLZOCXBDSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577077468 365806155 /nfs/dbraw/zinc/80/61/55/365806155.db2.gz PSHDBCGBBCRAJR-PBWFPOADSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513135 362939701 /nfs/dbraw/zinc/93/97/01/362939701.db2.gz JSUDYWVPZMWTHI-STQMWFEESA-N 2 0 224.392 2.804 20 30 BFEDRP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000351891954 356158169 /nfs/dbraw/zinc/15/81/69/356158169.db2.gz RURZWSNYTQFUNH-UONOGXRCSA-N 2 0 224.392 2.615 20 30 BFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCC#N ZINC000422972767 192532537 /nfs/dbraw/zinc/53/25/37/192532537.db2.gz MSTXQILKABMCHY-KGLIPLIRSA-N 2 0 237.391 2.581 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356791573 134179249 /nfs/dbraw/zinc/17/92/49/134179249.db2.gz UAZNLMQOYOPQLX-ZIAGYGMSSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000230672032 357548505 /nfs/dbraw/zinc/54/85/05/357548505.db2.gz HKYPUJRVUXZLNL-ZDUSSCGKSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676412 134226958 /nfs/dbraw/zinc/22/69/58/134226958.db2.gz KMYHTZJHEHCOTQ-RRFJBIMHSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000126732094 358553906 /nfs/dbraw/zinc/55/39/06/358553906.db2.gz ZNQXIXDFHUWPAY-CYBMUJFWSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861301 359229861 /nfs/dbraw/zinc/22/98/61/359229861.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@H](C)CCCC[NH3+] ZINC000423433774 192767520 /nfs/dbraw/zinc/76/75/20/192767520.db2.gz NLYIPUOTZDIEFA-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C#N)cc1 ZINC000423446997 192773639 /nfs/dbraw/zinc/77/36/39/192773639.db2.gz CYSCWMGVZIIJMX-DOMZBBRYSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000191789088 361359446 /nfs/dbraw/zinc/35/94/46/361359446.db2.gz DVELNXLIERCDMI-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629729909 361668761 /nfs/dbraw/zinc/66/87/61/361668761.db2.gz JJWXSWZMCVBRPA-UHFFFAOYSA-N 2 0 230.355 2.643 20 30 BFEDRP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000573674924 364890017 /nfs/dbraw/zinc/89/00/17/364890017.db2.gz NUNNBJZNCNHFRT-HNNXBMFYSA-N 2 0 245.370 2.599 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336667959 365346748 /nfs/dbraw/zinc/34/67/48/365346748.db2.gz QPJAKJLOQDLXME-KGLIPLIRSA-N 2 0 222.376 2.559 20 30 BFEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695907 367140477 /nfs/dbraw/zinc/14/04/77/367140477.db2.gz BHQNFUPNAQPDFV-ZIAGYGMSSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000580843696 367186942 /nfs/dbraw/zinc/18/69/42/367186942.db2.gz GPFFHMDAMUTSCS-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000566790815 326082544 /nfs/dbraw/zinc/08/25/44/326082544.db2.gz MMSWPWUEMDRTTM-CYBMUJFWSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000624038282 371262123 /nfs/dbraw/zinc/26/21/23/371262123.db2.gz ZYVHTHKDSZTNMU-CYBMUJFWSA-N 2 0 238.419 2.909 20 30 BFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000174363184 374187996 /nfs/dbraw/zinc/18/79/96/374187996.db2.gz NCWWMIGQSQCSQJ-DZGCQCFKSA-N 2 0 236.403 2.805 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000310975353 384608298 /nfs/dbraw/zinc/60/82/98/384608298.db2.gz DBXNGCFHRTUHGV-CHWSQXEVSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026096 386513259 /nfs/dbraw/zinc/51/32/59/386513259.db2.gz RYQHAFRYVDGEKW-IHRRRGAJSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CC1 ZINC000423316368 387157766 /nfs/dbraw/zinc/15/77/66/387157766.db2.gz ANTVNNFXEOXDAA-AWEZNQCLSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC1=CC[NH2+]CC1 ZINC000423343663 387193655 /nfs/dbraw/zinc/19/36/55/387193655.db2.gz METVZVRWVAZPAE-AWEZNQCLSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000120281945 387184254 /nfs/dbraw/zinc/18/42/54/387184254.db2.gz QJLMPXHTBAPJIS-HIFRSBDPSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325972 387229287 /nfs/dbraw/zinc/22/92/87/387229287.db2.gz KGSWAQHSHFNTQX-ZDUSSCGKSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325876 387230455 /nfs/dbraw/zinc/23/04/55/387230455.db2.gz JXRBZQHJUVLONO-QWHCGFSZSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000423348266 387196787 /nfs/dbraw/zinc/19/67/87/387196787.db2.gz SUHCHSUFMOLBKI-LSDHHAIUSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000423348265 387198062 /nfs/dbraw/zinc/19/80/62/387198062.db2.gz SUHCHSUFMOLBKI-HUUCEWRRSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423434547 387286566 /nfs/dbraw/zinc/28/65/66/387286566.db2.gz ODDVOMGBJRBWTD-RWMBFGLXSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538222 387363193 /nfs/dbraw/zinc/36/31/93/387363193.db2.gz MHACYHHVVAZOMY-CQSZACIVSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538237 387364258 /nfs/dbraw/zinc/36/42/58/387364258.db2.gz FVLGINMVMFMDIR-CBBWQLFWSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551779 387373073 /nfs/dbraw/zinc/37/30/73/387373073.db2.gz JNPWXJJHNOUKEJ-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551782 387373788 /nfs/dbraw/zinc/37/37/88/387373788.db2.gz JNPWXJJHNOUKEJ-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527929038 387793228 /nfs/dbraw/zinc/79/32/28/387793228.db2.gz VWIMNRWJKRFNCD-OLZOCXBDSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527927997 387793714 /nfs/dbraw/zinc/79/37/14/387793714.db2.gz SPEJQLFNXONKSW-ZIAGYGMSSA-N 2 0 238.419 2.909 20 30 BFEDRP N#CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973848 387824548 /nfs/dbraw/zinc/82/45/48/387824548.db2.gz PRBUUCFYNGWDSF-SOUVJXGZSA-N 2 0 249.402 2.581 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423122202 387903279 /nfs/dbraw/zinc/90/32/79/387903279.db2.gz JOOQEVJVILGVHV-QWHCGFSZSA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423129812 387908188 /nfs/dbraw/zinc/90/81/88/387908188.db2.gz FPRQIFQZOHXOHP-QWHCGFSZSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423158380 387938604 /nfs/dbraw/zinc/93/86/04/387938604.db2.gz WORSVNCYKDRQTJ-ZFWWWQNUSA-N 2 0 246.398 2.747 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175053 387962031 /nfs/dbraw/zinc/96/20/31/387962031.db2.gz CRTQRSBWBKOFLE-OLZOCXBDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423177685 387963943 /nfs/dbraw/zinc/96/39/43/387963943.db2.gz HMKWCAGRRPUSCP-GDBMZVCRSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)C1CC1 ZINC000438984035 387972527 /nfs/dbraw/zinc/97/25/27/387972527.db2.gz DHCKEWPJYWNKQF-KCXAZCMYSA-N 2 0 248.414 2.804 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C1CCC([NH3+])CC1 ZINC000423221961 388001952 /nfs/dbraw/zinc/00/19/52/388001952.db2.gz YXGLPYJYWVTEDV-OTTFEQOBSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C1CCC([NH3+])CC1 ZINC000423221960 388002083 /nfs/dbraw/zinc/00/20/83/388002083.db2.gz YXGLPYJYWVTEDV-CPCZMJQVSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254047 388034868 /nfs/dbraw/zinc/03/48/68/388034868.db2.gz WWEPVGDHENRHES-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC([NH3+])(CC)CC ZINC000423288714 388072736 /nfs/dbraw/zinc/07/27/36/388072736.db2.gz UPYJSKZKXCRFKW-GFCCVEGCSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC([NH3+])(CC)CC ZINC000423288715 388073381 /nfs/dbraw/zinc/07/33/81/388073381.db2.gz UPYJSKZKXCRFKW-LBPRGKRZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289107 388074627 /nfs/dbraw/zinc/07/46/27/388074627.db2.gz WFICRXLGDQVIAM-NWDGAFQWSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423267999 388047085 /nfs/dbraw/zinc/04/70/85/388047085.db2.gz DDJLXSNZGWGJMG-RDBSUJKOSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccco1 ZINC000516272861 256771317 /nfs/dbraw/zinc/77/13/17/256771317.db2.gz OAXVDEBRLFLFLO-CQSZACIVSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000530208654 388626943 /nfs/dbraw/zinc/62/69/43/388626943.db2.gz GNDSWRHDSACUBG-QWHCGFSZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865335 389049555 /nfs/dbraw/zinc/04/95/55/389049555.db2.gz VMLILOQMLVOKCO-GOEBONIOSA-N 2 0 244.382 2.673 20 30 BFEDRP C=C(C)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000352016139 533484580 /nfs/dbraw/zinc/48/45/80/533484580.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335490946 133864796 /nfs/dbraw/zinc/86/47/96/133864796.db2.gz HNESZCITHCZHMJ-JLVJUDLZSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039427 /nfs/dbraw/zinc/03/94/27/135039427.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 0 236.403 2.900 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000193347539 487609969 /nfs/dbraw/zinc/60/99/69/487609969.db2.gz KZDFZSYTGPPFDT-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764427 410414088 /nfs/dbraw/zinc/41/40/88/410414088.db2.gz YIKGNPUGDHKAKC-OLZOCXBDSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[NH+](C)C/C=C/C[N@H+](C)CCC=C ZINC000276336821 166256432 /nfs/dbraw/zinc/25/64/32/166256432.db2.gz BWUSMQYUDXJALU-MDZDMXLPSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665230288 410725046 /nfs/dbraw/zinc/72/50/46/410725046.db2.gz MDGQRPVDSXHPEC-QPSCCSFWSA-N 2 0 236.403 2.981 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000651668240 411134398 /nfs/dbraw/zinc/13/43/98/411134398.db2.gz CYYSLOZIYYPSIJ-KBPBESRZSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000651694133 411136720 /nfs/dbraw/zinc/13/67/20/411136720.db2.gz RRUYOCPWMABXIM-MCIONIFRSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000651709186 411137830 /nfs/dbraw/zinc/13/78/30/411137830.db2.gz NGOHYVWIQFCZFL-RBSFLKMASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000651822756 411146231 /nfs/dbraw/zinc/14/62/31/411146231.db2.gz JOKXSSJGLNAFDM-FVPDABNVSA-N 2 0 248.414 2.946 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000656787208 411366402 /nfs/dbraw/zinc/36/64/02/411366402.db2.gz GZGRAJRBLHKPRI-RBSFLKMASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000657815521 411604676 /nfs/dbraw/zinc/60/46/76/411604676.db2.gz GFVBHVQYMCTTIC-LSDHHAIUSA-N 2 0 247.386 2.998 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662299091 412086523 /nfs/dbraw/zinc/08/65/23/412086523.db2.gz KGHLXVGHKUNRQK-HNNXBMFYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCCC1 ZINC000665236569 412177230 /nfs/dbraw/zinc/17/72/30/412177230.db2.gz POMHHERCCOVOMB-ZDUSSCGKSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000817959706 584992354 /nfs/dbraw/zinc/99/23/54/584992354.db2.gz HBENBRIGPSLQEX-LBPRGKRZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651676337 487815285 /nfs/dbraw/zinc/81/52/85/487815285.db2.gz WVXIGMPMEUWYFQ-KFWWJZLASA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995223 487925322 /nfs/dbraw/zinc/92/53/22/487925322.db2.gz GPCJIGCJWAYIPV-STQMWFEESA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000570827308 323071894 /nfs/dbraw/zinc/07/18/94/323071894.db2.gz QAWNNJMIVDRVFN-STQMWFEESA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000131975874 325193189 /nfs/dbraw/zinc/19/31/89/325193189.db2.gz CXPMFIJUJOEGIW-UONOGXRCSA-N 2 0 224.392 2.661 20 30 BFEDRP CC[NH+](CC)CCC[NH2+]CC(C)(C)CCC#N ZINC000135121970 325396272 /nfs/dbraw/zinc/39/62/72/325396272.db2.gz IHYDEGUZEMZELX-UHFFFAOYSA-N 2 0 239.407 2.638 20 30 BFEDRP C=C(CC)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000358515235 534370849 /nfs/dbraw/zinc/37/08/49/534370849.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(CC)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000358515258 534371709 /nfs/dbraw/zinc/37/17/09/534371709.db2.gz XPTZPFKQIFHLSK-UHFFFAOYSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261556165 534552297 /nfs/dbraw/zinc/55/22/97/534552297.db2.gz QLWYNVOHAHABPZ-QWHCGFSZSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336662947 534553430 /nfs/dbraw/zinc/55/34/30/534553430.db2.gz WDYBZHSMIRVKHT-LBPRGKRZSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354226539 534712963 /nfs/dbraw/zinc/71/29/63/534712963.db2.gz WOCMQRKKJRHYHP-KBPBESRZSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174226411 534717487 /nfs/dbraw/zinc/71/74/87/534717487.db2.gz VDUHDARYVVEJEM-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366620010 534719802 /nfs/dbraw/zinc/71/98/02/534719802.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 2 0 248.414 2.901 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366619824 534721132 /nfs/dbraw/zinc/72/11/32/534721132.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 2 0 248.414 2.901 20 30 BFEDRP C=CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000304193211 534736314 /nfs/dbraw/zinc/73/63/14/534736314.db2.gz AWDWCPJIJOQTFG-KGLIPLIRSA-N 2 0 216.328 2.687 20 30 BFEDRP C=CCC[N@@H+](C)[C@@H]1CCC[NH+](CCC=C)CC1 ZINC000338568821 534770450 /nfs/dbraw/zinc/77/04/50/534770450.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 2 0 236.403 2.925 20 30 BFEDRP C=CC(C)(C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000895929926 583748406 /nfs/dbraw/zinc/74/84/06/583748406.db2.gz AXDSYAWZNMKRGF-UHFFFAOYSA-N 2 0 238.419 2.910 20 30 BFEDRP C=CCCC[N@@H+](CC)Cc1cnc(C)n1C ZINC000898244371 584099758 /nfs/dbraw/zinc/09/97/58/584099758.db2.gz IFGYAIFHWKJCGU-UHFFFAOYSA-N 2 0 221.348 2.517 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259537 584128002 /nfs/dbraw/zinc/12/80/02/584128002.db2.gz GLGRRSRINSYIFS-APIJFGDWSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450517 584606690 /nfs/dbraw/zinc/60/66/90/584606690.db2.gz STHQRLBGBGZLFE-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466217 584613931 /nfs/dbraw/zinc/61/39/31/584613931.db2.gz KBTIEHCMEOSDSP-LJISPDSOSA-N 2 0 236.403 2.994 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468257 584615028 /nfs/dbraw/zinc/61/50/28/584615028.db2.gz SNBTYQWIABYLEQ-YIYPIFLZSA-N 2 0 222.376 2.604 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485378 584624633 /nfs/dbraw/zinc/62/46/33/584624633.db2.gz KEDAKIJOVGPEMJ-MGPQQGTHSA-N 2 0 224.392 2.838 20 30 BFEDRP CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902720537 584660083 /nfs/dbraw/zinc/66/00/83/584660083.db2.gz KWKAHQBGGZHFCL-HNNXBMFYSA-N 2 0 245.370 2.551 20 30 BFEDRP C[N@H+](CC1CCC(C#N)CC1)C1CCC([NH3+])CC1 ZINC000903425036 584765409 /nfs/dbraw/zinc/76/54/09/584765409.db2.gz PDDWLFSPFYTCFA-UHFFFAOYSA-N 2 0 249.402 2.518 20 30 BFEDRP C=C[C@@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914043 584822598 /nfs/dbraw/zinc/82/25/98/584822598.db2.gz SXKZWJGIIBYAIB-JALIKCBVSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817932983 586840039 /nfs/dbraw/zinc/84/00/39/586840039.db2.gz YSVMNHGZNILGOX-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817954471 586849871 /nfs/dbraw/zinc/84/98/71/586849871.db2.gz YBRFFBMRMMDXAB-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000817978468 586861761 /nfs/dbraw/zinc/86/17/61/586861761.db2.gz BRJPKMUKHJCKLW-RWMBFGLXSA-N 2 0 212.381 2.837 20 30 BFEDRP CCCCCCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000118855034 589200487 /nfs/dbraw/zinc/20/04/87/589200487.db2.gz NAJHNCAJVCZROS-UHFFFAOYSA-N 2 0 214.397 2.874 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000863541239 589297472 /nfs/dbraw/zinc/29/74/72/589297472.db2.gz YWXLAMOWIGFFFU-KGLIPLIRSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546822 589298465 /nfs/dbraw/zinc/29/84/65/589298465.db2.gz MUCLNFMEBRDVDT-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000866517777 589499161 /nfs/dbraw/zinc/49/91/61/589499161.db2.gz MPOPXZCHEACOJA-FGZQJIAISA-N 2 0 249.402 2.531 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122371366 589585106 /nfs/dbraw/zinc/58/51/06/589585106.db2.gz XJAACNCGRNBKDO-QWHCGFSZSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccco1 ZINC000873249567 590007525 /nfs/dbraw/zinc/00/75/25/590007525.db2.gz LXPFMMDRGUMFHL-FRRDWIJNSA-N 2 0 234.343 2.614 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259492 590013561 /nfs/dbraw/zinc/01/35/61/590013561.db2.gz FXTYAQKTBHYHTE-QKGCVVFFSA-N 2 0 236.403 2.707 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267588 590015601 /nfs/dbraw/zinc/01/56/01/590015601.db2.gz GVTIUQRAGQXEMK-FRRDWIJNSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878157121 590509239 /nfs/dbraw/zinc/50/92/39/590509239.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 2 0 236.403 2.615 20 30 BFEDRP CCC#C[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250392 590720909 /nfs/dbraw/zinc/72/09/09/590720909.db2.gz SQRXEACQPRLUIG-OAHLLOKOSA-N 2 0 248.414 2.596 20 30 BFEDRP C#CCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517343 591083912 /nfs/dbraw/zinc/08/39/12/591083912.db2.gz NNEYYRCWPXYARM-UHFFFAOYSA-N 2 0 236.403 2.598 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300046827 592501400 /nfs/dbraw/zinc/50/14/00/592501400.db2.gz AIVCQZCVHTZZIA-CHWSQXEVSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000234323861 631311400 /nfs/dbraw/zinc/31/14/00/631311400.db2.gz UHOWHHYJCYWJME-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1C/C=C/C[N@H+]1CC[C@@H]1CC=C ZINC000934460560 631847389 /nfs/dbraw/zinc/84/73/89/631847389.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 2 0 246.398 2.843 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303620661 635932221 /nfs/dbraw/zinc/93/22/21/635932221.db2.gz JJHIUSYHOVOCHP-AWEZNQCLSA-N 2 0 224.392 2.642 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925653602 634215905 /nfs/dbraw/zinc/21/59/05/634215905.db2.gz HZNRPRCVEVPCMC-RWMBFGLXSA-N 2 0 224.392 2.837 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925653601 634216439 /nfs/dbraw/zinc/21/64/39/634216439.db2.gz HZNRPRCVEVPCMC-FRRDWIJNSA-N 2 0 224.392 2.837 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925680051 634277520 /nfs/dbraw/zinc/27/75/20/634277520.db2.gz GSDAXPLLHOPRDI-HUUCEWRRSA-N 2 0 236.403 2.711 20 30 BFEDRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]([NH3+])C1 ZINC000925681283 634280799 /nfs/dbraw/zinc/28/07/99/634280799.db2.gz NCASUILRFDGJEM-CRWXNKLISA-N 2 0 249.402 2.564 20 30 BFEDRP C[C@H](CCC#N)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980924 636853578 /nfs/dbraw/zinc/85/35/78/636853578.db2.gz GIOOJGWAEIFPCI-CYBMUJFWSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227054682 640811846 /nfs/dbraw/zinc/81/18/46/640811846.db2.gz JUFAVMQQOAZGDW-STQMWFEESA-N 2 0 212.381 2.626 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227054675 640811910 /nfs/dbraw/zinc/81/19/10/640811910.db2.gz JUFAVMQQOAZGDW-QWHCGFSZSA-N 2 0 212.381 2.626 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988620 640909537 /nfs/dbraw/zinc/90/95/37/640909537.db2.gz NLAUCWSWXOTRPO-KBPBESRZSA-N 2 0 226.408 2.874 20 30 BFEDRP C=CC[C@H]1CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000934469789 641164909 /nfs/dbraw/zinc/16/49/09/641164909.db2.gz GQSROVFAJRABKW-KGLIPLIRSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000252951213 644927344 /nfs/dbraw/zinc/92/73/44/644927344.db2.gz DSVLISSXYXHNSB-ZQDZILKHSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000252951211 644927288 /nfs/dbraw/zinc/92/72/88/644927288.db2.gz DSVLISSXYXHNSB-BYNSBNAKSA-N 2 0 236.403 2.851 20 30 BFEDRP C=C[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925255097 646219957 /nfs/dbraw/zinc/21/99/57/646219957.db2.gz CIGDGCHLFBVFGU-CHWSQXEVSA-N 2 0 232.371 2.973 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925684754 646411204 /nfs/dbraw/zinc/41/12/04/646411204.db2.gz BHXBXXJOISKVGN-UONOGXRCSA-N 2 0 248.414 2.982 20 30 BFEDRP C=CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925709488 646434721 /nfs/dbraw/zinc/43/47/21/646434721.db2.gz UVSGOFDOYLXPDP-CQSZACIVSA-N 2 0 218.344 2.632 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925836361 646504183 /nfs/dbraw/zinc/50/41/83/646504183.db2.gz ZYQUBKSIEWGSJP-LSDHHAIUSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844601 646507928 /nfs/dbraw/zinc/50/79/28/646507928.db2.gz VOXIWJZURCQPFP-GBJTYRQASA-N 2 0 236.403 2.709 20 30 BFEDRP C[C@H]([NH2+]CCCC#N)c1cccc(C[NH+](C)C)c1 ZINC000926131831 646582938 /nfs/dbraw/zinc/58/29/38/646582938.db2.gz HBXDAKGVQNPQQJ-ZDUSSCGKSA-N 2 0 245.370 2.703 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000703727424 712086290 /nfs/dbraw/zinc/08/62/90/712086290.db2.gz MZIXFHBEAXCKKI-CYBMUJFWSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000715055917 712505250 /nfs/dbraw/zinc/50/52/50/712505250.db2.gz ZNZKNZVTDBHKDM-ZFWWWQNUSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000724486329 710741468 /nfs/dbraw/zinc/74/14/68/710741468.db2.gz NZDROXBLNMFAFC-CABCVRRESA-N 2 0 236.403 2.840 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125531942 711761783 /nfs/dbraw/zinc/76/17/83/711761783.db2.gz OSSQORTWZATSSZ-CYBMUJFWSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CC[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703671579 712083001 /nfs/dbraw/zinc/08/30/01/712083001.db2.gz ROHYYYRIMAHHKR-CQSZACIVSA-N 2 0 224.392 2.794 20 30 BFEDRP CCCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000703732595 712086105 /nfs/dbraw/zinc/08/61/05/712086105.db2.gz CUGVTZHPZKXPNY-XPABHHOTSA-N 2 0 236.403 2.543 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705927855 712138382 /nfs/dbraw/zinc/13/83/82/712138382.db2.gz YWMRNFZDIVIGRN-WZYMTQMTSA-N 2 0 248.414 2.805 20 30 BFEDRP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709500800 712223486 /nfs/dbraw/zinc/22/34/86/712223486.db2.gz DGTQCTMEPQGWRV-PBWFPOADSA-N 2 0 224.392 2.829 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255524 967442905 /nfs/dbraw/zinc/44/29/05/967442905.db2.gz JVKCIHOQKHJFDZ-CYBMUJFWSA-N 2 0 210.365 2.546 20 30 BFEDRP CCCCCCCCN1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910496 979202900 /nfs/dbraw/zinc/20/29/00/979202900.db2.gz QIWMSAXSEWEQHB-QWHCGFSZSA-N 2 0 230.371 2.718 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+](C)C[C@@H](C)C[NH3+])C[C@H](C1)C2 ZINC001257887534 971518084 /nfs/dbraw/zinc/51/80/84/971518084.db2.gz CNVWJLWIJIPSBS-RDGKXADDSA-N 2 0 236.403 2.648 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156941 974330368 /nfs/dbraw/zinc/33/03/68/974330368.db2.gz UPINLQUYDLYBJN-CHWSQXEVSA-N 2 0 230.371 2.718 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCCC[C@H]3[NH3+])C[C@H](C1)C2 ZINC001246179734 972206928 /nfs/dbraw/zinc/20/69/28/972206928.db2.gz FNWYJNZGRCONQM-GZNJTBKBSA-N 2 0 248.414 2.981 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210473177 957761400 /nfs/dbraw/zinc/76/14/00/957761400.db2.gz BIJGKKOXDDJZDH-CQSZACIVSA-N 2 0 224.392 2.807 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@]3(CC)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246461244 972334463 /nfs/dbraw/zinc/33/44/63/972334463.db2.gz ODSSFSKAHCAFAV-QXULXFAOSA-N 2 0 248.414 2.853 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237745 972418756 /nfs/dbraw/zinc/41/87/56/972418756.db2.gz RYSXVTDGWCPUFX-OAHLLOKOSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CC[N@@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167837175 961214865 /nfs/dbraw/zinc/21/48/65/961214865.db2.gz IZKOSIUJGXLSLT-CYBMUJFWSA-N 2 0 212.381 2.615 20 30 BFEDRP CCCCCCC[C@@H](C)[NH+]1CC(C[NH3+])C1 ZINC000712588167 962929912 /nfs/dbraw/zinc/92/99/12/962929912.db2.gz XGHBAJHDZLDKQT-GFCCVEGCSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235978221 966190333 /nfs/dbraw/zinc/19/03/33/966190333.db2.gz JMBYZBFNZWEDQL-KGLIPLIRSA-N 2 0 222.376 2.546 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938125 967245394 /nfs/dbraw/zinc/24/53/94/967245394.db2.gz JCAMDVUAAUAGOV-CYBMUJFWSA-N 2 0 212.381 2.770 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204937827 967246044 /nfs/dbraw/zinc/24/60/44/967246044.db2.gz HBSLMLOPRIKXNY-CQSZACIVSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205905267 967880226 /nfs/dbraw/zinc/88/02/26/967880226.db2.gz ZVWVVZMXKBOXTJ-KBPBESRZSA-N 2 0 224.392 2.792 20 30 BFEDRP C=C(C)C[N@H+](CC)CCC1CC[NH+](C)CC1 ZINC001207487328 968798947 /nfs/dbraw/zinc/79/89/47/968798947.db2.gz XZVXBOIOHSXQMG-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C#CCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209269413 969423254 /nfs/dbraw/zinc/42/32/54/969423254.db2.gz JPABPEJHHLYQAG-HOTGVXAUSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CCCCCC[N@@H+](CC)CCn1ccnc1 ZINC001209432402 969502463 /nfs/dbraw/zinc/50/24/63/969502463.db2.gz DVIJUFAGKKOJGJ-UHFFFAOYSA-N 2 0 235.375 2.951 20 30 BFEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574687 972870171 /nfs/dbraw/zinc/87/01/71/972870171.db2.gz IQKFCLACVXGDDS-KBPBESRZSA-N 2 0 237.391 2.520 20 30 BFEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574688 972871835 /nfs/dbraw/zinc/87/18/35/972871835.db2.gz IQKFCLACVXGDDS-KGLIPLIRSA-N 2 0 237.391 2.520 20 30 BFEDRP CC[NH+](CC)C1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001173111170 975027077 /nfs/dbraw/zinc/02/70/77/975027077.db2.gz YHZCECJZADHZTO-UHFFFAOYSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293158 978292742 /nfs/dbraw/zinc/29/27/42/978292742.db2.gz GNQWTHUSFGWKRB-CQSZACIVSA-N 2 0 224.392 2.794 20 30 BFEDRP CCCCCCCCN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005432 978951020 /nfs/dbraw/zinc/95/10/20/978951020.db2.gz HKOFTSJRXHOWKI-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C=CCCCCCCN1CCC[C@@]12CC[NH2+]C2 ZINC001235110839 978973050 /nfs/dbraw/zinc/97/30/50/978973050.db2.gz MZXCMRNELVXDQK-HNNXBMFYSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CCCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172195 978989943 /nfs/dbraw/zinc/98/99/43/978989943.db2.gz KQYUQPZHHCZFNS-OAHLLOKOSA-N 2 0 236.403 2.951 20 30 BFEDRP CCCCCCCCC[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210887 978998295 /nfs/dbraw/zinc/99/82/95/978998295.db2.gz PMQYHGCRACHVKK-WDNDVIMCSA-N 2 0 224.392 2.626 20 30 BFEDRP C=CCCCCCCCC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283837 979018378 /nfs/dbraw/zinc/01/83/78/979018378.db2.gz GZJDVKKVEZRTAQ-QDMKHBRRSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235930998 979211624 /nfs/dbraw/zinc/21/16/24/979211624.db2.gz ZFNUETVQPJDQEO-GJZGRUSLSA-N 2 0 236.403 2.664 20 30 BFEDRP C#C[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235946749 979216984 /nfs/dbraw/zinc/21/69/84/979216984.db2.gz RNYDCYKPBOKDSM-OAHLLOKOSA-N 2 0 248.414 2.644 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@@H](C)[NH2+]C ZINC001348851924 981459317 /nfs/dbraw/zinc/45/93/17/981459317.db2.gz HUWGIMUHZOJGRK-OLZOCXBDSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@H](C)[NH2+]C ZINC001348851926 981461059 /nfs/dbraw/zinc/46/10/59/981461059.db2.gz HUWGIMUHZOJGRK-STQMWFEESA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300224069 984284014 /nfs/dbraw/zinc/28/40/14/984284014.db2.gz KSPPSWSAWPBYMM-ZIAGYGMSSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688047045 985523126 /nfs/dbraw/zinc/52/31/26/985523126.db2.gz DKEJEWMKJVTFPB-UHFFFAOYSA-N 2 0 248.395 2.544 20 30 BFEDRP N#C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638173 986686867 /nfs/dbraw/zinc/68/68/67/986686867.db2.gz XKAUWYZEJJWMLW-UKRRQHHQSA-N 2 0 249.402 2.662 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+][C@@H](C)C3)C[C@H](C1)C2 ZINC001246109045 987440202 /nfs/dbraw/zinc/44/02/02/987440202.db2.gz IQCUBKUHJNFWBZ-FIZKIRAISA-N 2 0 248.414 2.851 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]CCC[NH2+]C ZINC001246111283 987447349 /nfs/dbraw/zinc/44/73/49/987447349.db2.gz IZFYAEDLYHRQAR-ZDUSSCGKSA-N 2 0 214.397 2.935 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246128468 987476406 /nfs/dbraw/zinc/47/64/06/987476406.db2.gz JLRZEMIWJRPCRX-KBPBESRZSA-N 2 0 249.402 2.581 20 30 BFEDRP CCCCCCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246236006 987634356 /nfs/dbraw/zinc/63/43/56/987634356.db2.gz FHPMJBQPIDKMGS-FICVDOATSA-N 2 0 238.419 2.935 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460970 987819155 /nfs/dbraw/zinc/81/91/55/987819155.db2.gz MAQLGTYEVRRQLK-DZGCQCFKSA-N 2 0 236.403 2.853 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@](C)([NH3+])C3)C[C@H](C1)C2 ZINC001246533032 987891861 /nfs/dbraw/zinc/89/18/61/987891861.db2.gz ZHEBICWCIPRCFZ-IZGVIRRGSA-N 2 0 234.387 2.544 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551126 987948484 /nfs/dbraw/zinc/94/84/84/987948484.db2.gz KUMZLKZYBLJHIU-OLZOCXBDSA-N 2 0 210.365 2.544 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246573064 988070628 /nfs/dbraw/zinc/07/06/28/988070628.db2.gz YSOQYTDRBZJMJF-MELADBBJSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246573120 988076151 /nfs/dbraw/zinc/07/61/51/988076151.db2.gz GGCIOMKCQLSECG-KBPBESRZSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611463 988239887 /nfs/dbraw/zinc/23/98/87/988239887.db2.gz TZTLVACDAJPUHC-ZIAGYGMSSA-N 2 0 222.376 2.559 20 30 BFEDRP CC[C@H](CC#N)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246656332 988385472 /nfs/dbraw/zinc/38/54/72/988385472.db2.gz NMIWTJMSQCARHA-CABCVRRESA-N 2 0 249.402 2.533 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858697 988585966 /nfs/dbraw/zinc/58/59/66/988585966.db2.gz HUOYQHVWUVQPHN-MCAJLIOHSA-N 2 0 246.398 2.544 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001258721026 991651298 /nfs/dbraw/zinc/65/12/98/991651298.db2.gz LGUDKRJHZSBMTH-HSBZDZAISA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCCCCCC[NH3+] ZINC001258721597 991652788 /nfs/dbraw/zinc/65/27/88/991652788.db2.gz APCJOLIGZVVWBH-CYBMUJFWSA-N 2 0 212.381 2.840 20 30 BFEDRP C#C[C@](C)(CC)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902270 991895399 /nfs/dbraw/zinc/89/53/99/991895399.db2.gz RVSUJTHRYKUYGF-LSDHHAIUSA-N 2 0 238.419 2.888 20 30 BFEDRP C#C[C@H]([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1)C(C)(C)C ZINC001574503538 992870410 /nfs/dbraw/zinc/87/04/10/992870410.db2.gz AJBUDTXPAQNKPN-YJNKXOJESA-N 2 0 248.414 2.545 20 30 BFEDRP C=CCCCCCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC001574907219 992940542 /nfs/dbraw/zinc/94/05/42/992940542.db2.gz DMLYFHKRVBHHBB-UHFFFAOYSA-N 2 0 236.403 2.855 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001574900323 992942087 /nfs/dbraw/zinc/94/20/87/992942087.db2.gz URSLBKAZXDTCNQ-AWEZNQCLSA-N 2 0 224.392 2.568 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001574907726 992942745 /nfs/dbraw/zinc/94/27/45/992942745.db2.gz ZLPDGLCYWQFQGX-KBPBESRZSA-N 2 0 222.376 2.546 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381389711 993390738 /nfs/dbraw/zinc/39/07/38/993390738.db2.gz NBQUJRYOXWGHMO-IHRRRGAJSA-N 2 0 224.392 2.626 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381389710 993391864 /nfs/dbraw/zinc/39/18/64/993391864.db2.gz NBQUJRYOXWGHMO-BFHYXJOUSA-N 2 0 224.392 2.626 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000382318717 993448126 /nfs/dbraw/zinc/44/81/26/993448126.db2.gz SLKUEQIZFALTLZ-ZDUSSCGKSA-N 2 0 212.381 2.770 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001577430085 993661287 /nfs/dbraw/zinc/66/12/87/993661287.db2.gz MXHYCLPEGDMXOP-UONOGXRCSA-N 2 0 224.392 2.770 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC001577430297 993665164 /nfs/dbraw/zinc/66/51/64/993665164.db2.gz ZVYFLMDFLWXJKN-LBPRGKRZSA-N 2 0 212.381 2.687 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000584182495 343770656 /nfs/dbraw/zinc/77/06/56/343770656.db2.gz BYZRUOCJWUBYTM-KBPBESRZSA-N 2 0 224.392 2.982 20 30 BFEDRP CC#CC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062049 344708466 /nfs/dbraw/zinc/70/84/66/344708466.db2.gz DRDNOMFSQSNNST-UHFFFAOYSA-N 2 0 244.382 2.593 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012995 345212254 /nfs/dbraw/zinc/21/22/54/345212254.db2.gz YFZRIZKBYLJSTR-ZDUSSCGKSA-N 2 0 244.382 2.777 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012990 345216613 /nfs/dbraw/zinc/21/66/13/345216613.db2.gz YFZRIZKBYLJSTR-CYBMUJFWSA-N 2 0 244.382 2.777 20 30 BFEDRP C#CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158849057 345377406 /nfs/dbraw/zinc/37/74/06/345377406.db2.gz SFCIXZZTMLSEQY-OAHLLOKOSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310517455 347291603 /nfs/dbraw/zinc/29/16/03/347291603.db2.gz VSZSOJYZPQIGBT-STQMWFEESA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCSCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000596649662 348605186 /nfs/dbraw/zinc/60/51/86/348605186.db2.gz DNYJQPYAQDPZFY-CHWSQXEVSA-N 2 0 242.432 2.545 20 30 BFEDRP C=CCCSCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000596649665 348605397 /nfs/dbraw/zinc/60/53/97/348605397.db2.gz DNYJQPYAQDPZFY-STQMWFEESA-N 2 0 242.432 2.545 20 30 BFEDRP C=CCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337085317 350555528 /nfs/dbraw/zinc/55/55/28/350555528.db2.gz ZHPMSEZZRKLDIV-JKSUJKDBSA-N 2 0 244.382 2.627 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971316 353576242 /nfs/dbraw/zinc/57/62/42/353576242.db2.gz XOCSZJFOUDOUKR-UKRRQHHQSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346844887 355135870 /nfs/dbraw/zinc/13/58/70/355135870.db2.gz MCDYGLJNHPOZPX-INIZCTEOSA-N 2 0 244.382 2.674 20 30 BFEDRP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000352016615 134036751 /nfs/dbraw/zinc/03/67/51/134036751.db2.gz YOPCLZSZUGBOKB-KBPBESRZSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000300224466 356487873 /nfs/dbraw/zinc/48/78/73/356487873.db2.gz NNNBTAVBLCMJIW-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000423166648 192602553 /nfs/dbraw/zinc/60/25/53/192602553.db2.gz VOBDOFLPCOKGPH-CHWSQXEVSA-N 2 0 224.392 2.838 20 30 BFEDRP CC(C)[N@H+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000230639750 357542986 /nfs/dbraw/zinc/54/29/86/357542986.db2.gz LDNWIMJVPBPUDX-UHFFFAOYSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 ZINC000583316350 357898587 /nfs/dbraw/zinc/89/85/87/357898587.db2.gz PMGUVJXXUYVMPZ-AWEZNQCLSA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976597 358608932 /nfs/dbraw/zinc/60/89/32/358608932.db2.gz RULFOKKINPBOSL-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052209171 358776535 /nfs/dbraw/zinc/77/65/35/358776535.db2.gz JSWYYNJMZTVSTO-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862263 358809131 /nfs/dbraw/zinc/80/91/31/358809131.db2.gz HZSIWKAWFBOODQ-HIFRSBDPSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423515064 192799907 /nfs/dbraw/zinc/79/99/07/192799907.db2.gz SPHSTAFHMDSIEL-MJBXVCDLSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551781 192812376 /nfs/dbraw/zinc/81/23/76/192812376.db2.gz JNPWXJJHNOUKEJ-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629390514 361036650 /nfs/dbraw/zinc/03/66/50/361036650.db2.gz REUNIDLHDCDZHF-HZSPNIEDSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[N@@H+](CCC[NH2+]C)CC1CCCCC1 ZINC000435886599 201295265 /nfs/dbraw/zinc/29/52/65/201295265.db2.gz ZLLQHJOFPDOIOI-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386376381 367958727 /nfs/dbraw/zinc/95/87/27/367958727.db2.gz CFLRAPZJKQOLKL-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000386812305 368024016 /nfs/dbraw/zinc/02/40/16/368024016.db2.gz RYTKEHLHLNLDOV-RRFJBIMHSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122208 371323551 /nfs/dbraw/zinc/32/35/51/371323551.db2.gz MERPKMSJODHBGS-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336654407 206018730 /nfs/dbraw/zinc/01/87/30/206018730.db2.gz HFEJWEURHGBSGE-UONOGXRCSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545753 384013961 /nfs/dbraw/zinc/01/39/61/384013961.db2.gz BNQZNYNABMSECI-ZIAGYGMSSA-N 2 0 236.403 2.996 20 30 BFEDRP C#CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000374429711 533050194 /nfs/dbraw/zinc/05/01/94/533050194.db2.gz PWUSGXIHNPSUHB-HOTGVXAUSA-N 2 0 248.414 2.596 20 30 BFEDRP C#CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000374429710 533050674 /nfs/dbraw/zinc/05/06/74/533050674.db2.gz PWUSGXIHNPSUHB-CVEARBPZSA-N 2 0 248.414 2.596 20 30 BFEDRP C=C(CC)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313477397 384414710 /nfs/dbraw/zinc/41/47/10/384414710.db2.gz CTVZQHWHJOUAAY-KBPBESRZSA-N 2 0 216.328 2.687 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000313503646 384435319 /nfs/dbraw/zinc/43/53/19/384435319.db2.gz LZQLTFXDXIPIFS-QLFBSQMISA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423376934 384848267 /nfs/dbraw/zinc/84/82/67/384848267.db2.gz JKOFELMWHDDURV-FRRDWIJNSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423372853 384848989 /nfs/dbraw/zinc/84/89/89/384848989.db2.gz HIBZNCGQLAAKJN-HZSPNIEDSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340430521 385061586 /nfs/dbraw/zinc/06/15/86/385061586.db2.gz XPZIIEPMIZWHEM-QWHCGFSZSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CC1 ZINC000309586020 385711413 /nfs/dbraw/zinc/71/14/13/385711413.db2.gz RUAVXCPXBPZYTF-JSGCOSHPSA-N 2 0 224.392 2.519 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000335490947 386609738 /nfs/dbraw/zinc/60/97/38/386609738.db2.gz HNESZCITHCZHMJ-LQULJDIASA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423373647 387230204 /nfs/dbraw/zinc/23/02/04/387230204.db2.gz HXHXLRRWEJSBBB-LBPRGKRZSA-N 2 0 230.355 2.734 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423408954 387246409 /nfs/dbraw/zinc/24/64/09/387246409.db2.gz YFQFKMMBOAWIFO-HZSPNIEDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H](C)[NH2+]CC ZINC000423379526 387262186 /nfs/dbraw/zinc/26/21/86/387262186.db2.gz MBHOJBIGOYJBMY-OLZOCXBDSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC1CC[NH2+]CC1 ZINC000643497801 387270080 /nfs/dbraw/zinc/27/00/80/387270080.db2.gz JKLHUQOBOBPTNC-AWEZNQCLSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423433777 387286826 /nfs/dbraw/zinc/28/68/26/387286826.db2.gz NLYIPUOTZDIEFA-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1CC1 ZINC000423443204 387292395 /nfs/dbraw/zinc/29/23/95/387292395.db2.gz VNNZPGNQPHPLLI-TZMCWYRMSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423538490 387362962 /nfs/dbraw/zinc/36/29/62/387362962.db2.gz GKUUOSDXQZNPRE-QXSJWSMHSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000423475005 387322382 /nfs/dbraw/zinc/32/23/82/387322382.db2.gz PPCMXELQNMIKRT-SNPRPXQTSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527733585 387682392 /nfs/dbraw/zinc/68/23/92/387682392.db2.gz DGBFAZJTGLAWNI-KBPBESRZSA-N 2 0 236.403 2.805 20 30 BFEDRP N#CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422973847 387823134 /nfs/dbraw/zinc/82/31/34/387823134.db2.gz PRBUUCFYNGWDSF-RRFJBIMHSA-N 2 0 249.402 2.581 20 30 BFEDRP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442781912 387839777 /nfs/dbraw/zinc/83/97/77/387839777.db2.gz OXTUWYGOVJIDDR-QLFBSQMISA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423018099 387840510 /nfs/dbraw/zinc/84/05/10/387840510.db2.gz QGPZPJKLXCAWJC-IYXRBSQSSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423044837 387855036 /nfs/dbraw/zinc/85/50/36/387855036.db2.gz BFRPFIVNJGGIGL-QWHCGFSZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535311 387862869 /nfs/dbraw/zinc/86/28/69/387862869.db2.gz BDTANGMVVYOIPJ-ZIAGYGMSSA-N 2 0 236.403 2.853 20 30 BFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442653602 387814383 /nfs/dbraw/zinc/81/43/83/387814383.db2.gz RBEJXAKPHHHHOY-ILXRZTDVSA-N 2 0 249.402 2.533 20 30 BFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442653610 387814606 /nfs/dbraw/zinc/81/46/06/387814606.db2.gz RBEJXAKPHHHHOY-RBSFLKMASA-N 2 0 249.402 2.533 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423122200 387902825 /nfs/dbraw/zinc/90/28/25/387902825.db2.gz JOOQEVJVILGVHV-CHWSQXEVSA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCC1(C[NH2+][C@H](C)CCC[NH3+])CCCC1 ZINC000423163942 387945020 /nfs/dbraw/zinc/94/50/20/387945020.db2.gz RVUGROVTJHBSBY-CYBMUJFWSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000423166650 387949844 /nfs/dbraw/zinc/94/98/44/387949844.db2.gz VOBDOFLPCOKGPH-QWHCGFSZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)C1CC1 ZINC000423177476 387964866 /nfs/dbraw/zinc/96/48/66/387964866.db2.gz IWOKKORWNXLNJR-CQSZACIVSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CCCCC1 ZINC000423183063 387968506 /nfs/dbraw/zinc/96/85/06/387968506.db2.gz RBQSSSDWFHUTDK-CYBMUJFWSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000438984038 387971633 /nfs/dbraw/zinc/97/16/33/387971633.db2.gz DHCKEWPJYWNKQF-VBNZEHGJSA-N 2 0 248.414 2.804 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423214682 387997102 /nfs/dbraw/zinc/99/71/02/387997102.db2.gz LUGLLTWPQDVCJH-IHRRRGAJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000453225826 388016551 /nfs/dbraw/zinc/01/65/51/388016551.db2.gz CEQCOLJTVBFTEX-KBPBESRZSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254049 388036052 /nfs/dbraw/zinc/03/60/52/388036052.db2.gz WWEPVGDHENRHES-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252805 388036122 /nfs/dbraw/zinc/03/61/22/388036122.db2.gz UUPLPBJMEISURN-KBPBESRZSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289108 388074983 /nfs/dbraw/zinc/07/49/83/388074983.db2.gz WFICRXLGDQVIAM-RYUDHWBXSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423267998 388047113 /nfs/dbraw/zinc/04/71/13/388047113.db2.gz DDJLXSNZGWGJMG-MELADBBJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000449060020 388136842 /nfs/dbraw/zinc/13/68/42/388136842.db2.gz CEQHDDOLPIDYJG-ZDUSSCGKSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CCCC1 ZINC000449606418 388240878 /nfs/dbraw/zinc/24/08/78/388240878.db2.gz QQBHXDDKAKDGPL-KBPBESRZSA-N 2 0 236.403 2.663 20 30 BFEDRP C#C[C@@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000491653876 388308358 /nfs/dbraw/zinc/30/83/58/388308358.db2.gz DQRPHNYRVPRMDI-AWEZNQCLSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000398054950 388516492 /nfs/dbraw/zinc/51/64/92/388516492.db2.gz DFDOOIUMWRTWJJ-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000398054949 388517053 /nfs/dbraw/zinc/51/70/53/388517053.db2.gz DFDOOIUMWRTWJJ-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554883052 388834531 /nfs/dbraw/zinc/83/45/31/388834531.db2.gz TYLGLPYNFDKUBT-KKUMJFAQSA-N 2 0 238.419 2.907 20 30 BFEDRP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000352016617 533485205 /nfs/dbraw/zinc/48/52/05/533485205.db2.gz YOPCLZSZUGBOKB-UONOGXRCSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000368446472 134218460 /nfs/dbraw/zinc/21/84/60/134218460.db2.gz XHZHXPAMZWMQMP-OAGGEKHMSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338568849 135041411 /nfs/dbraw/zinc/04/14/11/135041411.db2.gz AEPYZDMXPGYUML-ZIAGYGMSSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[NH+](C)CC(C)C[N@H+](C)CCC=C ZINC000276461153 166257057 /nfs/dbraw/zinc/25/70/57/166257057.db2.gz QQISQZPZVNOWGG-UHFFFAOYSA-N 2 0 224.392 2.638 20 30 BFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338562085 166263542 /nfs/dbraw/zinc/26/35/42/166263542.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000651668242 411134264 /nfs/dbraw/zinc/13/42/64/411134264.db2.gz CYYSLOZIYYPSIJ-UONOGXRCSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000651691725 411136950 /nfs/dbraw/zinc/13/69/50/411136950.db2.gz FEDCCUDPFRCZOQ-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000651749796 411140946 /nfs/dbraw/zinc/14/09/46/411140946.db2.gz KEAZHWVJINJFGZ-GJZGRUSLSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000651749798 411140950 /nfs/dbraw/zinc/14/09/50/411140950.db2.gz KEAZHWVJINJFGZ-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000651748687 411141117 /nfs/dbraw/zinc/14/11/17/411141117.db2.gz UNVYQLTWLSXIMX-UKRRQHHQSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000310576941 411241937 /nfs/dbraw/zinc/24/19/37/411241937.db2.gz PWWLLNDWXHNTMT-ZDUSSCGKSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661303 411613851 /nfs/dbraw/zinc/61/38/51/411613851.db2.gz CFKDLDFQMIMFMJ-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663507462 411689757 /nfs/dbraw/zinc/68/97/57/411689757.db2.gz PWGHOSKVTQGCTM-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663507460 411689870 /nfs/dbraw/zinc/68/98/70/411689870.db2.gz PWGHOSKVTQGCTM-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC1([NH2+]CCCn2ccnc2)CCCC1 ZINC000661852584 411902984 /nfs/dbraw/zinc/90/29/84/411902984.db2.gz ZRJZBOIBFULUKK-UHFFFAOYSA-N 2 0 233.359 2.752 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC1([NH3+])CCCC1 ZINC000665248984 412195153 /nfs/dbraw/zinc/19/51/53/412195153.db2.gz HIMWRRKSRLNSII-ZDUSSCGKSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665229832 412167991 /nfs/dbraw/zinc/16/79/91/412167991.db2.gz DPXDNBNYKUFRRI-JDOFQRQTSA-N 2 0 248.414 2.994 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665230076 412168427 /nfs/dbraw/zinc/16/84/27/412168427.db2.gz IIBIJFZCHULYLH-RQJABVFESA-N 2 0 224.392 2.837 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665230077 412168439 /nfs/dbraw/zinc/16/84/39/412168439.db2.gz IIBIJFZCHULYLH-SYQHCUMBSA-N 2 0 224.392 2.837 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000665280928 412226857 /nfs/dbraw/zinc/22/68/57/412226857.db2.gz PKUHHDSEFRQHOL-ZIAGYGMSSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCCN1CC)C1CC1 ZINC000245979877 323007921 /nfs/dbraw/zinc/00/79/21/323007921.db2.gz XYIBUZLOYHWCSD-HUUCEWRRSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000245954809 323007931 /nfs/dbraw/zinc/00/79/31/323007931.db2.gz QJLMPXHTBAPJIS-DZGCQCFKSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562533356 323023231 /nfs/dbraw/zinc/02/32/31/323023231.db2.gz NLPVXFCGKDLHHH-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000570624395 323064838 /nfs/dbraw/zinc/06/48/38/323064838.db2.gz JGTDGGIEQCCCKL-ZDUSSCGKSA-N 2 0 245.370 2.597 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179241 323205528 /nfs/dbraw/zinc/20/55/28/323205528.db2.gz RDBZIAWLFUXRNW-CHWSQXEVSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000121008418 324000593 /nfs/dbraw/zinc/00/05/93/324000593.db2.gz YEBMTVIJFXEEHP-HNNXBMFYSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000121008587 324000974 /nfs/dbraw/zinc/00/09/74/324000974.db2.gz YEBMTVIJFXEEHP-OAHLLOKOSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000130641863 325076287 /nfs/dbraw/zinc/07/62/87/325076287.db2.gz UXDQIFFPCLMLPJ-UHFFFAOYSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000568239940 326332800 /nfs/dbraw/zinc/33/28/00/326332800.db2.gz VOSUBSWBPUCXQI-UONOGXRCSA-N 2 0 236.403 2.948 20 30 BFEDRP CCC#C[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000677133161 487980646 /nfs/dbraw/zinc/98/06/46/487980646.db2.gz KPKIVWKOXVCPAN-HNNXBMFYSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CC[NH+](CC=C)Cc1cccc2c1CC[NH2+]C2 ZINC000123877991 491120885 /nfs/dbraw/zinc/12/08/85/491120885.db2.gz CBODQMAMCKRJAP-UHFFFAOYSA-N 2 0 242.366 2.506 20 30 BFEDRP C=C(CC)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000358502018 534387028 /nfs/dbraw/zinc/38/70/28/534387028.db2.gz UPCLJMYYQDQNHT-HNNXBMFYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=C[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358317030 534508648 /nfs/dbraw/zinc/50/86/48/534508648.db2.gz JURDALDXSSASAF-CYBMUJFWSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000340422397 534553140 /nfs/dbraw/zinc/55/31/40/534553140.db2.gz AIVUSUAGHPSLPO-ZIAGYGMSSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000340422393 534554563 /nfs/dbraw/zinc/55/45/63/534554563.db2.gz AIVUSUAGHPSLPO-KGLIPLIRSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381728 584576752 /nfs/dbraw/zinc/57/67/52/584576752.db2.gz FSIPTHQVNQJEPU-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177704 584733262 /nfs/dbraw/zinc/73/32/62/584733262.db2.gz AAWGGGYHXLDFBQ-LQDVMPOASA-N 2 0 248.414 2.946 20 30 BFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716546 584791695 /nfs/dbraw/zinc/79/16/95/584791695.db2.gz OSSLPZTYKPOBQZ-UONOGXRCSA-N 2 0 249.402 2.520 20 30 BFEDRP C=CCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815007 584800918 /nfs/dbraw/zinc/80/09/18/584800918.db2.gz PBOYAMRLGYYHKH-AWEZNQCLSA-N 2 0 236.403 2.936 20 30 BFEDRP C=CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814039 584803264 /nfs/dbraw/zinc/80/32/64/584803264.db2.gz JFVYOMFJAVOJMP-CYBMUJFWSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000903850419 584808058 /nfs/dbraw/zinc/80/80/58/584808058.db2.gz QIPUFJSCCWQTJB-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000904320270 584863923 /nfs/dbraw/zinc/86/39/23/584863923.db2.gz GEJVUCGPXSQYSS-GASCZTMLSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CC[C@@H]1[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCC1(C)C ZINC000904348965 584868729 /nfs/dbraw/zinc/86/87/29/584868729.db2.gz XYGCJYZBTSKNIU-MJBXVCDLSA-N 2 0 236.403 2.790 20 30 BFEDRP C=CCCCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817932982 586840404 /nfs/dbraw/zinc/84/04/04/586840404.db2.gz YSVMNHGZNILGOX-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817932616 586842868 /nfs/dbraw/zinc/84/28/68/586842868.db2.gz VPLOPFHJPBVPAJ-STQMWFEESA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817932613 586843093 /nfs/dbraw/zinc/84/30/93/586843093.db2.gz VPLOPFHJPBVPAJ-CHWSQXEVSA-N 2 0 210.365 2.592 20 30 BFEDRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)cc1 ZINC000843342512 588101344 /nfs/dbraw/zinc/10/13/44/588101344.db2.gz RHMKZTLWINFKTC-ZDUSSCGKSA-N 2 0 245.370 2.728 20 30 BFEDRP C=CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000848716873 588408008 /nfs/dbraw/zinc/40/80/08/588408008.db2.gz KKTNBHRVEYKFJT-ILXRZTDVSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259493 590013645 /nfs/dbraw/zinc/01/36/45/590013645.db2.gz FXTYAQKTBHYHTE-ZQNQSHIBSA-N 2 0 236.403 2.707 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267525 590015357 /nfs/dbraw/zinc/01/53/57/590015357.db2.gz GBNKUHGUUUWCTR-OCCSQVGLSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000873279598 590017082 /nfs/dbraw/zinc/01/70/82/590017082.db2.gz JHNCXGCIASJXSF-STQMWFEESA-N 2 0 224.392 2.696 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@H]1CCCN1CC ZINC000876881967 590253124 /nfs/dbraw/zinc/25/31/24/590253124.db2.gz VIRICSUNNQAIFA-OAHLLOKOSA-N 2 0 236.403 2.644 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000877095417 590281988 /nfs/dbraw/zinc/28/19/88/590281988.db2.gz YBRLGYBZFPVDMS-CABCVRRESA-N 2 0 248.414 2.785 20 30 BFEDRP CCCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC000126793062 590446080 /nfs/dbraw/zinc/44/60/80/590446080.db2.gz VGAYPAQPTYHADZ-UHFFFAOYSA-N 2 0 212.381 2.689 20 30 BFEDRP CCC#C[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250391 590720986 /nfs/dbraw/zinc/72/09/86/590720986.db2.gz SQRXEACQPRLUIG-HNNXBMFYSA-N 2 0 248.414 2.596 20 30 BFEDRP C#CCCCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475680 591053213 /nfs/dbraw/zinc/05/32/13/591053213.db2.gz HGUJBOYKNWLEKA-UHFFFAOYSA-N 2 0 248.414 2.740 20 30 BFEDRP C=CCCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886711302 592307856 /nfs/dbraw/zinc/30/78/56/592307856.db2.gz SDJMUWLUBFWSAH-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=C(C)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134944 592450026 /nfs/dbraw/zinc/45/00/26/592450026.db2.gz SUROYJWFEONIHZ-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001246085836 987383664 /nfs/dbraw/zinc/38/36/64/987383664.db2.gz JEAUHFKUIIRRBZ-NWDGAFQWSA-N 2 0 200.370 2.672 20 30 BFEDRP C=CC[NH+](CC=C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678022 634585415 /nfs/dbraw/zinc/58/54/15/634585415.db2.gz QFPNBOCPRBPQOH-GOOCMWNKSA-N 2 0 234.387 2.581 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158149647 631827106 /nfs/dbraw/zinc/82/71/06/631827106.db2.gz RBMOKXTZFNNBSM-AWEZNQCLSA-N 2 0 226.408 2.840 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000309182936 632696775 /nfs/dbraw/zinc/69/67/75/632696775.db2.gz GBXMKRKNRRXLBN-KGLIPLIRSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925601603 634127349 /nfs/dbraw/zinc/12/73/49/634127349.db2.gz MKQBLBVTGJSETB-AEGPPILISA-N 2 0 236.403 2.709 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693842 634331287 /nfs/dbraw/zinc/33/12/87/634331287.db2.gz SGNZXBDTYGZSKN-LSDHHAIUSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCC[N@@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904474644 637425896 /nfs/dbraw/zinc/42/58/96/637425896.db2.gz WPUYFJZSJXTMOZ-GOOCMWNKSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228903665 640903746 /nfs/dbraw/zinc/90/37/46/640903746.db2.gz VEKYHXKQYVMJDX-GDLCADMTSA-N 2 0 216.328 2.685 20 30 BFEDRP C=CC[C@H]1CC[NH+]1CCC[N@H+]1CC[C@@H]1CC=C ZINC000934461058 641152907 /nfs/dbraw/zinc/15/29/07/641152907.db2.gz PGRKVOQIEFWPIT-GJZGRUSLSA-N 2 0 234.387 2.677 20 30 BFEDRP C=CCCC[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000934646086 641232742 /nfs/dbraw/zinc/23/27/42/641232742.db2.gz HTQUEEZHOOGIPQ-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250806623 642873257 /nfs/dbraw/zinc/87/32/57/642873257.db2.gz FWIZURZHNFLWNO-CHWSQXEVSA-N 2 0 212.381 2.768 20 30 BFEDRP C=CCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503095 644471391 /nfs/dbraw/zinc/47/13/91/644471391.db2.gz GLOOXCQHZKJKLU-AWEZNQCLSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000817980307 644992618 /nfs/dbraw/zinc/99/26/18/644992618.db2.gz UBHFJQZRYOAQKO-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=C[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925254818 646220953 /nfs/dbraw/zinc/22/09/53/646220953.db2.gz AXJJLJHLRGBTJJ-CYBMUJFWSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925684753 646410864 /nfs/dbraw/zinc/41/08/64/646410864.db2.gz BHXBXXJOISKVGN-KGLIPLIRSA-N 2 0 248.414 2.982 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925836359 646504069 /nfs/dbraw/zinc/50/40/69/646504069.db2.gz ZYQUBKSIEWGSJP-GJZGRUSLSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926351718 646624123 /nfs/dbraw/zinc/62/41/23/646624123.db2.gz SBCFOOCTVRPIRO-ZNMIVQPWSA-N 2 0 236.403 2.948 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000703718875 712084513 /nfs/dbraw/zinc/08/45/13/712084513.db2.gz ZMZJOJIPXDXBRA-OLZOCXBDSA-N 2 0 212.381 2.544 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000715055911 712505400 /nfs/dbraw/zinc/50/54/00/712505400.db2.gz ZNZKNZVTDBHKDM-DZGCQCFKSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000724486332 710741375 /nfs/dbraw/zinc/74/13/75/710741375.db2.gz NZDROXBLNMFAFC-LSDHHAIUSA-N 2 0 236.403 2.840 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000724488539 710742700 /nfs/dbraw/zinc/74/27/00/710742700.db2.gz ITQNVMYLYKYSOH-ZDUSSCGKSA-N 2 0 224.392 2.840 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000703718607 712084141 /nfs/dbraw/zinc/08/41/41/712084141.db2.gz WBZOVZCGBNYJBN-QWHCGFSZSA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000703718604 712084179 /nfs/dbraw/zinc/08/41/79/712084179.db2.gz WBZOVZCGBNYJBN-CHWSQXEVSA-N 2 0 212.381 2.687 20 30 BFEDRP C[N@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC000710766794 712256607 /nfs/dbraw/zinc/25/66/07/712256607.db2.gz QKQFGZIGKNLMSE-UHFFFAOYSA-N 2 0 245.370 2.509 20 30 BFEDRP C=CC[N@@H+](CC(C)(C)C[NH+](C)C)C(C)(C)C ZINC001207288381 968718291 /nfs/dbraw/zinc/71/82/91/968718291.db2.gz MZMDQKIIPNPIIE-UHFFFAOYSA-N 2 0 226.408 2.861 20 30 BFEDRP C#C[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256573418 970868759 /nfs/dbraw/zinc/86/87/59/970868759.db2.gz IORIKFWIAVUZCF-CQSZACIVSA-N 2 0 248.414 2.595 20 30 BFEDRP CCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403290165 970899506 /nfs/dbraw/zinc/89/95/06/970899506.db2.gz VZOSXSPIJXDUNN-LBPRGKRZSA-N 2 0 248.361 2.873 20 30 BFEDRP CCCCCCC[C@@H](CC)[NH2+]CC1C[NH2+]C1 ZINC001246090326 972144242 /nfs/dbraw/zinc/14/42/42/972144242.db2.gz DUYBIUAQBVVLLY-CQSZACIVSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405217648 959414585 /nfs/dbraw/zinc/41/45/85/959414585.db2.gz KXDOQQDVQVAMLR-KBPBESRZSA-N 2 0 236.403 2.982 20 30 BFEDRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695843118 960506608 /nfs/dbraw/zinc/50/66/08/960506608.db2.gz OCFQIEHHYJBBSJ-ZDUSSCGKSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925731930 960861115 /nfs/dbraw/zinc/86/11/15/960861115.db2.gz VYJLDTSXJOFAGE-BTFPBAQTSA-N 2 0 248.414 2.565 20 30 BFEDRP C=C(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961057 962870326 /nfs/dbraw/zinc/87/03/26/962870326.db2.gz DWIATYIRVHRKOI-GOOCMWNKSA-N 2 0 234.387 2.558 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001168297516 964386163 /nfs/dbraw/zinc/38/61/63/964386163.db2.gz AIXGAKXXJWKYPA-RBAFREBBSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCCCCC[NH+]1CC(C)(C[NH3+])C1 ZINC001206711906 966256152 /nfs/dbraw/zinc/25/61/52/966256152.db2.gz QBKPIUNLJDBSPW-UHFFFAOYSA-N 2 0 224.392 2.794 20 30 BFEDRP C=C[C@@](C)(O)C[NH2+]CC[PH+](C(C)C)C(C)C ZINC001252584145 968837540 /nfs/dbraw/zinc/83/75/40/968837540.db2.gz YORQNZBHJFFCBX-CYBMUJFWSA-N 2 0 245.347 2.812 20 30 BFEDRP C=CCCC[N@@H+](CCC)CCC[NH+](C)C ZINC001209163260 969365228 /nfs/dbraw/zinc/36/52/28/969365228.db2.gz AGRRSUYJOACYML-UHFFFAOYSA-N 2 0 212.381 2.616 20 30 BFEDRP C=CCCCC[N@@H+](CC)CCC[NH+](C)C ZINC001209206821 969385220 /nfs/dbraw/zinc/38/52/20/969385220.db2.gz BLFPPJCAFJPNGQ-UHFFFAOYSA-N 2 0 212.381 2.616 20 30 BFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209432447 969502659 /nfs/dbraw/zinc/50/26/59/969502659.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CCCCC[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254530368 969731521 /nfs/dbraw/zinc/73/15/21/969731521.db2.gz WROMIBUSEAGGIM-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222616179 972603906 /nfs/dbraw/zinc/60/39/06/972603906.db2.gz YYCJMQFMCPXKIA-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620800 974116548 /nfs/dbraw/zinc/11/65/48/974116548.db2.gz FQRKRFDFPRDPSV-UHFFFAOYSA-N 2 0 224.392 2.804 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172488638 974832680 /nfs/dbraw/zinc/83/26/80/974832680.db2.gz VLBRBELACPLWTH-MGPQQGTHSA-N 2 0 237.391 2.531 20 30 BFEDRP CCC[N@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173584991 975424232 /nfs/dbraw/zinc/42/42/32/975424232.db2.gz VMHQMXIQHRROFB-UHFFFAOYSA-N 2 0 237.391 2.520 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC001235673576 979111889 /nfs/dbraw/zinc/11/18/89/979111889.db2.gz OQRJWJYHIKJETH-HZPDHXFCSA-N 2 0 248.414 2.960 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001258718126 986044050 /nfs/dbraw/zinc/04/40/50/986044050.db2.gz HOUAJDZMIVDBTP-FQUUOJAGSA-N 2 0 222.376 2.556 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246107963 987439405 /nfs/dbraw/zinc/43/94/05/987439405.db2.gz JIZJWMWRENZMCG-CYBMUJFWSA-N 2 0 244.382 2.777 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246149090 987497449 /nfs/dbraw/zinc/49/74/49/987497449.db2.gz QRYCCDNEVXXQIT-IGQOVBAYSA-N 2 0 224.392 2.543 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001246192113 987581081 /nfs/dbraw/zinc/58/10/81/987581081.db2.gz DQKUXFIDRLRHNF-OLZOCXBDSA-N 2 0 212.381 2.687 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246196926 987591372 /nfs/dbraw/zinc/59/13/72/987591372.db2.gz IRYFABDDQFORAJ-LSVZVQIISA-N 2 0 248.414 2.711 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CCC(C)(C)[NH3+])C[C@H](C1)C2 ZINC001246270260 987667321 /nfs/dbraw/zinc/66/73/21/987667321.db2.gz FKXIRVBLWFDJJH-PBWFPOADSA-N 2 0 236.403 2.838 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246280586 987675326 /nfs/dbraw/zinc/67/53/26/987675326.db2.gz OBCUSEXBMMBDHG-JZWPEALZSA-N 2 0 248.414 2.711 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246445896 987804712 /nfs/dbraw/zinc/80/47/12/987804712.db2.gz QNQCLOKUMMWLRB-STQMWFEESA-N 2 0 224.392 2.687 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C12CC([NH3+])(C1)C2 ZINC001246499121 987852554 /nfs/dbraw/zinc/85/25/54/987852554.db2.gz BJXQWPATSJANAM-IYXRBSQSSA-N 2 0 224.392 2.959 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610787 988237822 /nfs/dbraw/zinc/23/78/22/988237822.db2.gz NTGKAVZNMVQHST-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610785 988244643 /nfs/dbraw/zinc/24/46/43/988244643.db2.gz NTGKAVZNMVQHST-HUUCEWRRSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611462 988245008 /nfs/dbraw/zinc/24/50/08/988245008.db2.gz TZTLVACDAJPUHC-UONOGXRCSA-N 2 0 222.376 2.559 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(CC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246636590 988323073 /nfs/dbraw/zinc/32/30/73/988323073.db2.gz OEUSSNCAYVEUEU-QXULXFAOSA-N 2 0 246.398 2.559 20 30 BFEDRP C=CCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246785359 988460922 /nfs/dbraw/zinc/46/09/22/988460922.db2.gz AJKBQVHNFYKAIJ-UHFFFAOYSA-N 2 0 244.382 2.817 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858698 988594562 /nfs/dbraw/zinc/59/45/62/988594562.db2.gz HUOYQHVWUVQPHN-YSEJDXQZSA-N 2 0 246.398 2.544 20 30 BFEDRP C=CC[N@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC001246919729 988729896 /nfs/dbraw/zinc/72/98/96/988729896.db2.gz KFZCIPHZBUZMQC-FUNVUKJBSA-N 2 0 222.376 2.556 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[NH3+] ZINC001258721148 991651879 /nfs/dbraw/zinc/65/18/79/991651879.db2.gz NUIWETSECPTKNF-LBPRGKRZSA-N 2 0 218.344 2.590 20 30 BFEDRP C=CCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001258732430 991675031 /nfs/dbraw/zinc/67/50/31/991675031.db2.gz LLQXFTGGIFCZIL-CYBMUJFWSA-N 2 0 236.403 2.900 20 30 BFEDRP C=CCC[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001258735669 991683497 /nfs/dbraw/zinc/68/34/97/991683497.db2.gz YTUDNGYFXRRINM-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(C)(C)S ZINC001258902169 991894230 /nfs/dbraw/zinc/89/42/30/991894230.db2.gz QUWALWBZWMOAJZ-GFCCVEGCSA-N 2 0 246.464 2.795 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001574872467 992932282 /nfs/dbraw/zinc/93/22/82/992932282.db2.gz MNMLNYSWRDSILV-NWDGAFQWSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]C1CC(CC[NH3+])C1 ZINC001574900401 992940801 /nfs/dbraw/zinc/94/08/01/992940801.db2.gz YRBSMADKFFIVBP-UHFFFAOYSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571088187 398178455 /nfs/dbraw/zinc/17/84/55/398178455.db2.gz QMVHZSDIGLDPIW-OLZOCXBDSA-N 2 0 232.371 2.836 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423021039 398161897 /nfs/dbraw/zinc/16/18/97/398161897.db2.gz BAOBBUPEDUTMAS-IYXRBSQSSA-N 2 0 224.392 2.838 20 30 BFEDRP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000602559132 349599288 /nfs/dbraw/zinc/59/92/88/349599288.db2.gz DDQPKSIZEQEOPM-AVOUXACISA-N 2 0 249.402 2.531 20 30 BFEDRP CC#CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000607726663 342782404 /nfs/dbraw/zinc/78/24/04/342782404.db2.gz NFKNOODKPQCDDJ-UHFFFAOYSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CC[NH+](CC=C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943026 343017333 /nfs/dbraw/zinc/01/73/33/343017333.db2.gz OXKFEOOCHYEOST-UHFFFAOYSA-N 2 0 242.366 2.506 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000235704947 343059172 /nfs/dbraw/zinc/05/91/72/343059172.db2.gz NNNBTAVBLCMJIW-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000584182497 343770636 /nfs/dbraw/zinc/77/06/36/343770636.db2.gz BYZRUOCJWUBYTM-UONOGXRCSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000584182498 343770882 /nfs/dbraw/zinc/77/08/82/343770882.db2.gz BYZRUOCJWUBYTM-ZIAGYGMSSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310517449 347291296 /nfs/dbraw/zinc/29/12/96/347291296.db2.gz VSZSOJYZPQIGBT-CHWSQXEVSA-N 2 0 224.392 2.661 20 30 BFEDRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C#N)CCCCC1 ZINC000596652371 348607325 /nfs/dbraw/zinc/60/73/25/348607325.db2.gz PUIKPTHXDVJJAT-ZDUSSCGKSA-N 2 0 237.391 2.568 20 30 BFEDRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000598981246 349070957 /nfs/dbraw/zinc/07/09/57/349070957.db2.gz VZXOSJXDDAQHOV-MELADBBJSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538791 362958410 /nfs/dbraw/zinc/95/84/10/362958410.db2.gz VGGRUAGVICBTNP-GFCCVEGCSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538792 362958660 /nfs/dbraw/zinc/95/86/60/362958660.db2.gz VGGRUAGVICBTNP-LBPRGKRZSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000385039406 350753244 /nfs/dbraw/zinc/75/32/44/350753244.db2.gz NDZDBPNHHQWBCI-MGPQQGTHSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571088189 350861034 /nfs/dbraw/zinc/86/10/34/350861034.db2.gz QMVHZSDIGLDPIW-STQMWFEESA-N 2 0 232.371 2.836 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000336713037 351081530 /nfs/dbraw/zinc/08/15/30/351081530.db2.gz OCJPDDHISVDASY-RBSFLKMASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[NH+](C)CCC(C)CC[N@H+](C)CC=C ZINC000411575090 191195714 /nfs/dbraw/zinc/19/57/14/191195714.db2.gz VKYPCDHMQZVXEF-UHFFFAOYSA-N 2 0 224.392 2.638 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971292 353576420 /nfs/dbraw/zinc/57/64/20/353576420.db2.gz XOCSZJFOUDOUKR-DZGCQCFKSA-N 2 0 249.402 2.531 20 30 BFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340477940 181060888 /nfs/dbraw/zinc/06/08/88/181060888.db2.gz OTRZHEXPUNLIAV-CABCVRRESA-N 2 0 249.402 2.534 20 30 BFEDRP CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000335147352 354860801 /nfs/dbraw/zinc/86/08/01/354860801.db2.gz TXOQOTVUUARCMD-FEWQNLEASA-N 2 0 249.402 2.566 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000352044447 134045878 /nfs/dbraw/zinc/04/58/78/134045878.db2.gz HQKDYKDBTKWANP-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C[C@H](CCC[NH3+])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000423000098 192523718 /nfs/dbraw/zinc/52/37/18/192523718.db2.gz URXWOWYQHORRCO-UKRRQHHQSA-N 2 0 245.370 2.748 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336459342 134147714 /nfs/dbraw/zinc/14/77/14/134147714.db2.gz NACSDDHCMAZRNJ-OCCSQVGLSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755807 356659015 /nfs/dbraw/zinc/65/90/15/356659015.db2.gz NGYVVEZCZBCOLY-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604518 134215877 /nfs/dbraw/zinc/21/58/77/134215877.db2.gz UNBJWDWUKICVAZ-PBWFPOADSA-N 2 0 222.376 2.510 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676411 134226852 /nfs/dbraw/zinc/22/68/52/134226852.db2.gz KMYHTZJHEHCOTQ-KKUMJFAQSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836434 359226500 /nfs/dbraw/zinc/22/65/00/359226500.db2.gz TUVCCBXAKDSWFA-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423538489 192807910 /nfs/dbraw/zinc/80/79/10/192807910.db2.gz GKUUOSDXQZNPRE-JONQDZQNSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003409 360053019 /nfs/dbraw/zinc/05/30/19/360053019.db2.gz MYMVNDAUBYYWBL-AWEZNQCLSA-N 2 0 247.386 2.641 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000629509685 361103207 /nfs/dbraw/zinc/10/32/07/361103207.db2.gz HLVRHTXBQDBJRW-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000629549118 361435408 /nfs/dbraw/zinc/43/54/08/361435408.db2.gz ISBBGIHKZRCWOW-HNNXBMFYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC[N@@H+](C)CCC[NH+](CC)CC ZINC000172180088 365297938 /nfs/dbraw/zinc/29/79/38/365297938.db2.gz RWMMRFKHNYRZOU-UHFFFAOYSA-N 2 0 212.381 2.616 20 30 BFEDRP CC1(C)CC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCC1(C)C ZINC000575427013 365316295 /nfs/dbraw/zinc/31/62/95/365316295.db2.gz GYXBDABRQCFSTN-KBPBESRZSA-N 2 0 248.414 2.546 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000580843695 367186515 /nfs/dbraw/zinc/18/65/15/367186515.db2.gz GPFFHMDAMUTSCS-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP CC1CC[NH+](C2CCC([NH2+]CCC#N)CC2)CC1 ZINC000581662467 367662106 /nfs/dbraw/zinc/66/21/06/367662106.db2.gz KXVOIJKDBGCMGD-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000385016201 367773017 /nfs/dbraw/zinc/77/30/17/367773017.db2.gz YYTNYIBUDFHXQV-KGLIPLIRSA-N 2 0 230.355 2.933 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000385016208 367772206 /nfs/dbraw/zinc/77/22/06/367772206.db2.gz YYTNYIBUDFHXQV-UONOGXRCSA-N 2 0 230.355 2.933 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386376380 367958771 /nfs/dbraw/zinc/95/87/71/367958771.db2.gz CFLRAPZJKQOLKL-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000386812308 368024161 /nfs/dbraw/zinc/02/41/61/368024161.db2.gz RYTKEHLHLNLDOV-SOUVJXGZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459784013 203368435 /nfs/dbraw/zinc/36/84/35/203368435.db2.gz NTUQJTZYNMZFCK-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C#CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158849204 384296527 /nfs/dbraw/zinc/29/65/27/384296527.db2.gz SFCIXZZTMLSEQY-HNNXBMFYSA-N 2 0 248.414 2.596 20 30 BFEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000045664154 384401834 /nfs/dbraw/zinc/40/18/34/384401834.db2.gz MDLWWKWCSMGKBS-ZDUSSCGKSA-N 2 0 245.370 2.551 20 30 BFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000310975356 384608033 /nfs/dbraw/zinc/60/80/33/384608033.db2.gz DBXNGCFHRTUHGV-STQMWFEESA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423372857 384849279 /nfs/dbraw/zinc/84/92/79/384849279.db2.gz HIBZNCGQLAAKJN-RDBSUJKOSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336654405 385733543 /nfs/dbraw/zinc/73/35/43/385733543.db2.gz HFEJWEURHGBSGE-KBPBESRZSA-N 2 0 236.403 2.805 20 30 BFEDRP N#CC1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335023180 385982673 /nfs/dbraw/zinc/98/26/73/385982673.db2.gz OMVAUXCCWGKHDR-PFSRBDOWSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337945 387185741 /nfs/dbraw/zinc/18/57/41/387185741.db2.gz UNUPZAUQXUMOOC-BFHYXJOUSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427557 387253175 /nfs/dbraw/zinc/25/31/75/387253175.db2.gz FXJNPSLDWBOIAK-SOUVJXGZSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449017 387298320 /nfs/dbraw/zinc/29/83/20/387298320.db2.gz VUHFEHXGHDLWNG-PAPYEOQZSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCCCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000514873519 387301476 /nfs/dbraw/zinc/30/14/76/387301476.db2.gz RSNKZWCDDQFWSW-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423460272 387309252 /nfs/dbraw/zinc/30/92/52/387309252.db2.gz MHCBQJCJCFKQDY-MJBXVCDLSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538221 387363594 /nfs/dbraw/zinc/36/35/94/387363594.db2.gz MHACYHHVVAZOMY-AWEZNQCLSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423548344 387371347 /nfs/dbraw/zinc/37/13/47/387371347.db2.gz QTLSXIQRKSSSQE-BTFPBAQTSA-N 2 0 236.403 2.565 20 30 BFEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422996536 387803015 /nfs/dbraw/zinc/80/30/15/387803015.db2.gz MLBUWKDJFWHGAX-GZBFAFLISA-N 2 0 245.370 2.747 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423027101 387844396 /nfs/dbraw/zinc/84/43/96/387844396.db2.gz OGHFTZKCZNRDBA-HABKJSAYSA-N 2 0 222.376 2.604 20 30 BFEDRP C=C(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423027164 387844698 /nfs/dbraw/zinc/84/46/98/387844698.db2.gz OMCAIPVQYRELLD-CVEARBPZSA-N 2 0 244.382 2.807 20 30 BFEDRP C=CCCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423046760 387858277 /nfs/dbraw/zinc/85/82/77/387858277.db2.gz FFIMLULDPZZRIM-HOCLYGCPSA-N 2 0 246.398 2.891 20 30 BFEDRP CCCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613644 387859611 /nfs/dbraw/zinc/85/96/11/387859611.db2.gz GLQDKVAMIVZULZ-GASCZTMLSA-N 2 0 238.419 2.840 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423096142 387884480 /nfs/dbraw/zinc/88/44/80/387884480.db2.gz GYZAMJXCYPIQNZ-DGCLKSJQSA-N 2 0 247.386 2.854 20 30 BFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CC#N)CC1 ZINC000423094360 387885434 /nfs/dbraw/zinc/88/54/34/387885434.db2.gz KABMAMYNLDBLDE-ZIAGYGMSSA-N 2 0 249.402 2.581 20 30 BFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CC#N)CC1 ZINC000423094357 387885966 /nfs/dbraw/zinc/88/59/66/387885966.db2.gz KABMAMYNLDBLDE-KBPBESRZSA-N 2 0 249.402 2.581 20 30 BFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CC#N)CC1 ZINC000423094359 387886038 /nfs/dbraw/zinc/88/60/38/387886038.db2.gz KABMAMYNLDBLDE-UONOGXRCSA-N 2 0 249.402 2.581 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423137790 387917057 /nfs/dbraw/zinc/91/70/57/387917057.db2.gz ROBUWUOWXXUAPU-OLZOCXBDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423205267 387991085 /nfs/dbraw/zinc/99/10/85/387991085.db2.gz FCCHYIOHRFYDMC-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000453225827 388015545 /nfs/dbraw/zinc/01/55/45/388015545.db2.gz CEQCOLJTVBFTEX-KGLIPLIRSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252807 388035516 /nfs/dbraw/zinc/03/55/16/388035516.db2.gz UUPLPBJMEISURN-UONOGXRCSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423259271 388038204 /nfs/dbraw/zinc/03/82/04/388038204.db2.gz NTHAIECGBAHRFD-DZGCQCFKSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561234 388233230 /nfs/dbraw/zinc/23/32/30/388233230.db2.gz SPIQVAWRLYKCBU-FIBILERRSA-N 2 0 236.403 2.802 20 30 BFEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000516927822 388524993 /nfs/dbraw/zinc/52/49/93/388524993.db2.gz GXZLEQMHBWRSLL-MRXNPFEDSA-N 2 0 244.382 2.980 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000530208655 388626907 /nfs/dbraw/zinc/62/69/07/388626907.db2.gz GNDSWRHDSACUBG-STQMWFEESA-N 2 0 224.392 2.838 20 30 BFEDRP CC[C@H](NC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000423279831 388689078 /nfs/dbraw/zinc/68/90/78/388689078.db2.gz SPUQQSXJEBXGQH-CABCVRRESA-N 2 0 245.370 2.582 20 30 BFEDRP C=C(C)C[N@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000356809929 533505119 /nfs/dbraw/zinc/50/51/19/533505119.db2.gz DMFAIVUBQGBZEI-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(C)CC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000352028582 134044004 /nfs/dbraw/zinc/04/40/04/134044004.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000336459341 134147743 /nfs/dbraw/zinc/14/77/43/134147743.db2.gz NACSDDHCMAZRNJ-JSGCOSHPSA-N 2 0 249.402 2.531 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361441321 134205607 /nfs/dbraw/zinc/20/56/07/134205607.db2.gz UZOOFFLRDAONPL-ZFWWWQNUSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847594 134216517 /nfs/dbraw/zinc/21/65/17/134216517.db2.gz GLBHGSCZVDCQJC-OAHLLOKOSA-N 2 0 238.419 2.984 20 30 BFEDRP C=C(Cl)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075324 134235360 /nfs/dbraw/zinc/23/53/60/134235360.db2.gz SDHDIFNAQPXFOK-UHFFFAOYSA-N 2 0 242.794 2.547 20 30 BFEDRP CC[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000185774915 134394511 /nfs/dbraw/zinc/39/45/11/134394511.db2.gz GSRBYFMBYQNLIV-ZNMIVQPWSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252803949 135111177 /nfs/dbraw/zinc/11/11/77/135111177.db2.gz CJOUAFWDJLAVJZ-IHRRRGAJSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CC[NH+](C)Cc1ccccc1C[N@H+](C)CC=C ZINC000121332872 135222243 /nfs/dbraw/zinc/22/22/43/135222243.db2.gz RFTYUNABRHOWRS-UHFFFAOYSA-N 2 0 244.382 2.922 20 30 BFEDRP CC(C)[NH+](CC#CC[N@@H+](C(C)C)C1CC1)C1CC1 ZINC000341830991 135243100 /nfs/dbraw/zinc/24/31/00/135243100.db2.gz IBYNXAJQYIPYAG-UHFFFAOYSA-N 2 0 248.414 2.735 20 30 BFEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC#CC[NH+]1[C@H](C)CC[C@H]1C ZINC000263613673 135361194 /nfs/dbraw/zinc/36/11/94/135361194.db2.gz ZOBJQBSGGXBNDB-KLHDSHLOSA-N 2 0 248.414 2.735 20 30 BFEDRP C=CCC[NH+](C)CCCC[N@@H+](C)CCC=C ZINC000265842880 166257761 /nfs/dbraw/zinc/25/77/61/166257761.db2.gz WZUMRBKIRMQVQE-UHFFFAOYSA-N 2 0 224.392 2.782 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000096034246 166299755 /nfs/dbraw/zinc/29/97/55/166299755.db2.gz GKRDUFVJLSDRGH-LBPRGKRZSA-N 2 0 212.381 2.519 20 30 BFEDRP C=CC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000661382129 410597194 /nfs/dbraw/zinc/59/71/94/410597194.db2.gz SKRQBZIWPIZSEL-GJZGRUSLSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000651668241 411134159 /nfs/dbraw/zinc/13/41/59/411134159.db2.gz CYYSLOZIYYPSIJ-KGLIPLIRSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000651678542 411135036 /nfs/dbraw/zinc/13/50/36/411135036.db2.gz TVKFUBAXDPETRO-QXSJWSMHSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000651706112 411137163 /nfs/dbraw/zinc/13/71/63/411137163.db2.gz SVCDMIZRRYBPJP-MCIONIFRSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401049143 411174932 /nfs/dbraw/zinc/17/49/32/411174932.db2.gz SITFWPIYEDTUAF-ZQDZILKHSA-N 2 0 236.403 2.709 20 30 BFEDRP C=C(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198467 411203467 /nfs/dbraw/zinc/20/34/67/411203467.db2.gz WLLOVXFSRXMTLK-GJZGRUSLSA-N 2 0 230.355 2.559 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380912 411249947 /nfs/dbraw/zinc/24/99/47/411249947.db2.gz XUJNHHCQYNEVMD-MGPQQGTHSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCCC1 ZINC000656792013 411372991 /nfs/dbraw/zinc/37/29/91/411372991.db2.gz NGPZRKWDKGIUNK-ZDUSSCGKSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000656792639 411372419 /nfs/dbraw/zinc/37/24/19/411372419.db2.gz UTWISLCOKMMYKW-ZIAGYGMSSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655806003 411520172 /nfs/dbraw/zinc/52/01/72/411520172.db2.gz WIAWJTUAQRYQSO-VHDGCEQUSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805857 411520213 /nfs/dbraw/zinc/52/02/13/411520213.db2.gz MIGQQQCMOYDQLO-RFQIPJPRSA-N 2 0 224.392 2.517 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805859 411520652 /nfs/dbraw/zinc/52/06/52/411520652.db2.gz MIGQQQCMOYDQLO-SYQHCUMBSA-N 2 0 224.392 2.517 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1C ZINC000657863123 411613189 /nfs/dbraw/zinc/61/31/89/411613189.db2.gz IQAXRSUBSMIZFK-HUUCEWRRSA-N 2 0 247.386 2.916 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1C ZINC000657863120 411613422 /nfs/dbraw/zinc/61/34/22/411613422.db2.gz IQAXRSUBSMIZFK-CABCVRRESA-N 2 0 247.386 2.916 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246312 412190350 /nfs/dbraw/zinc/19/03/50/412190350.db2.gz BMOJQHRZBAJURQ-CYBMUJFWSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665229831 412167227 /nfs/dbraw/zinc/16/72/27/412167227.db2.gz DPXDNBNYKUFRRI-DRFQVBMSSA-N 2 0 248.414 2.994 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995222 487925076 /nfs/dbraw/zinc/92/50/76/487925076.db2.gz GPCJIGCJWAYIPV-QWHCGFSZSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000220276045 488033790 /nfs/dbraw/zinc/03/37/90/488033790.db2.gz KIXWXBSUEGHMGH-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651680299 491073651 /nfs/dbraw/zinc/07/36/51/491073651.db2.gz FTACHARIYKDZMZ-QKPAOTATSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341448797 534358735 /nfs/dbraw/zinc/35/87/35/534358735.db2.gz DHBNFECZOGVAMM-AJNGGQMLSA-N 2 0 236.403 2.804 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000336713039 534694985 /nfs/dbraw/zinc/69/49/85/534694985.db2.gz OCJPDDHISVDASY-RRFJBIMHSA-N 2 0 236.403 2.853 20 30 BFEDRP C=C(C)C[NH+](C)[C@@H](C)CC[N@H+](C)CC(=C)C ZINC000351093042 538700931 /nfs/dbraw/zinc/70/09/31/538700931.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 2 0 224.392 2.781 20 30 BFEDRP C=CCCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000898244114 584099932 /nfs/dbraw/zinc/09/99/32/584099932.db2.gz DDRUJKFUNFLEKB-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387250 584578907 /nfs/dbraw/zinc/57/89/07/584578907.db2.gz ILHIVBYJSRGXPJ-CYBMUJFWSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387253 584579066 /nfs/dbraw/zinc/57/90/66/584579066.db2.gz ILHIVBYJSRGXPJ-ZDUSSCGKSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469315 584615446 /nfs/dbraw/zinc/61/54/46/584615446.db2.gz WRVNQAUBEMNCHL-XJFOESAGSA-N 2 0 222.376 2.604 20 30 BFEDRP C[NH2+]C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903716168 584794397 /nfs/dbraw/zinc/79/43/97/584794397.db2.gz HPPOFCLOGNTINI-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP N#CC1(CCCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCC1 ZINC000903763474 584797267 /nfs/dbraw/zinc/79/72/67/584797267.db2.gz KJQRKMVLEZJDQF-ZIAGYGMSSA-N 2 0 249.402 2.710 20 30 BFEDRP C#CCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465571 585285037 /nfs/dbraw/zinc/28/50/37/585285037.db2.gz PAWFBPOGZPIHCW-CABCVRRESA-N 2 0 248.414 2.642 20 30 BFEDRP CCCCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000116927271 589058649 /nfs/dbraw/zinc/05/86/49/589058649.db2.gz QFVYABBPZQTUIK-HUUCEWRRSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccncc1 ZINC000817894225 586834339 /nfs/dbraw/zinc/83/43/39/586834339.db2.gz KGHCOUMLGYQEJS-UKRRQHHQSA-N 2 0 247.386 2.806 20 30 BFEDRP N#CCC[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000818975058 586919446 /nfs/dbraw/zinc/91/94/46/586919446.db2.gz RCMHXZOZWDBZHB-UHFFFAOYSA-N 2 0 237.391 2.536 20 30 BFEDRP C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000848716874 588407896 /nfs/dbraw/zinc/40/78/96/588407896.db2.gz KKTNBHRVEYKFJT-KFWWJZLASA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000863541237 589297249 /nfs/dbraw/zinc/29/72/49/589297249.db2.gz YWXLAMOWIGFFFU-KBPBESRZSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccco1 ZINC000873256342 590011742 /nfs/dbraw/zinc/01/17/42/590011742.db2.gz LXPFMMDRGUMFHL-AVGNSLFASA-N 2 0 234.343 2.614 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258628 590012946 /nfs/dbraw/zinc/01/29/46/590012946.db2.gz SXGBWWWYHPSVJI-MGPQQGTHSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259490 590013340 /nfs/dbraw/zinc/01/33/40/590013340.db2.gz FXTYAQKTBHYHTE-ARILJUKYSA-N 2 0 236.403 2.707 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271390 590016348 /nfs/dbraw/zinc/01/63/48/590016348.db2.gz GVTIUQRAGQXEMK-XQQFMLRXSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878157120 590509582 /nfs/dbraw/zinc/50/95/82/590509582.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 2 0 236.403 2.615 20 30 BFEDRP C=CCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247669 590721161 /nfs/dbraw/zinc/72/11/61/590721161.db2.gz GDNDIGREFGHQEZ-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=C(C)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258860 590979232 /nfs/dbraw/zinc/97/92/32/590979232.db2.gz DJHYWHFKCYBSBV-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475696 591053770 /nfs/dbraw/zinc/05/37/70/591053770.db2.gz HXEAQHQYOFOKGG-CYBMUJFWSA-N 2 0 222.376 2.511 20 30 BFEDRP C=C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538903 592252935 /nfs/dbraw/zinc/25/29/35/592252935.db2.gz PNABEOUWUFVDNL-WLYUNCDWSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136022 592451984 /nfs/dbraw/zinc/45/19/84/592451984.db2.gz GQYGIZQOTGMQJT-KBPBESRZSA-N 2 0 245.370 2.557 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925835906 635490876 /nfs/dbraw/zinc/49/08/76/635490876.db2.gz VBMRUOUJRIQOHB-CQSZACIVSA-N 2 0 234.387 2.607 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252958800 632564041 /nfs/dbraw/zinc/56/40/41/632564041.db2.gz LOTCQVZWHYRIKL-BFHYXJOUSA-N 2 0 224.392 2.851 20 30 BFEDRP CCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310539293 632754487 /nfs/dbraw/zinc/75/44/87/632754487.db2.gz BSQORSWSQVZZTP-GASCZTMLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925601620 634128235 /nfs/dbraw/zinc/12/82/35/634128235.db2.gz MKQBLBVTGJSETB-QEJZJMRPSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925655811 634218742 /nfs/dbraw/zinc/21/87/42/634218742.db2.gz WPDNQHFZQFOJQJ-GJZGRUSLSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925774843 635239998 /nfs/dbraw/zinc/23/99/98/635239998.db2.gz AADBCVXJEBPRIL-VXGBXAGGSA-N 2 0 246.345 2.566 20 30 BFEDRP C=CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322401254 636863171 /nfs/dbraw/zinc/86/31/71/636863171.db2.gz VCFAAGOLVHRSHF-GOOCMWNKSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000904471524 637426448 /nfs/dbraw/zinc/42/64/48/637426448.db2.gz IFORXMQKCHBFEW-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434890 640201930 /nfs/dbraw/zinc/20/19/30/640201930.db2.gz AHQKICDEKXZNPL-LSDHHAIUSA-N 2 0 238.419 2.840 20 30 BFEDRP C=CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000165492086 640581971 /nfs/dbraw/zinc/58/19/71/640581971.db2.gz ZDOIBMSXMHGBRM-AGUYFDCRSA-N 2 0 234.387 2.558 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252786470 642896321 /nfs/dbraw/zinc/89/63/21/642896321.db2.gz VNUJNKQXRCGSIE-STQMWFEESA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503096 644470676 /nfs/dbraw/zinc/47/06/76/644470676.db2.gz GLOOXCQHZKJKLU-CQSZACIVSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000817980309 644992157 /nfs/dbraw/zinc/99/21/57/644992157.db2.gz UBHFJQZRYOAQKO-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=C(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925637231 646380444 /nfs/dbraw/zinc/38/04/44/646380444.db2.gz YVPQXACAYBLMFM-HUUCEWRRSA-N 2 0 242.366 2.559 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925682713 646409494 /nfs/dbraw/zinc/40/94/94/646409494.db2.gz DHBLXLKGDZUEOL-AGIUHOORSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925724928 646450169 /nfs/dbraw/zinc/45/01/69/646450169.db2.gz OBYVYKSXSJAYCV-LBPRGKRZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925730070 646454539 /nfs/dbraw/zinc/45/45/39/646454539.db2.gz NLBCBOYSXPOORJ-QWHCGFSZSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738676 646461209 /nfs/dbraw/zinc/46/12/09/646461209.db2.gz SGMKDTUYKNEPJN-LBPRGKRZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CCC(C)(C)[NH3+] ZINC000925742034 646462275 /nfs/dbraw/zinc/46/22/75/646462275.db2.gz ODPMBVBVEDRWKQ-GFCCVEGCSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756282 646463576 /nfs/dbraw/zinc/46/35/76/646463576.db2.gz KEYFXGYESUXALG-QWHCGFSZSA-N 2 0 224.392 2.790 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783228 646480071 /nfs/dbraw/zinc/48/00/71/646480071.db2.gz DNFBROMGHNXFJK-MCIONIFRSA-N 2 0 224.392 2.566 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925829695 646499447 /nfs/dbraw/zinc/49/94/47/646499447.db2.gz AUSCOOJMMUJNKT-HIFRSBDPSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000715055914 712505054 /nfs/dbraw/zinc/50/50/54/712505054.db2.gz ZNZKNZVTDBHKDM-UKRRQHHQSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000724486330 710741029 /nfs/dbraw/zinc/74/10/29/710741029.db2.gz NZDROXBLNMFAFC-GJZGRUSLSA-N 2 0 236.403 2.840 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000724565983 710742258 /nfs/dbraw/zinc/74/22/58/710742258.db2.gz JIWLMLQUQUAGRU-ZFWWWQNUSA-N 2 0 236.403 2.805 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000724444568 711580843 /nfs/dbraw/zinc/58/08/43/711580843.db2.gz FZTNZTKDYYOSSS-KGLIPLIRSA-N 2 0 234.387 2.592 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988610 711759280 /nfs/dbraw/zinc/75/92/80/711759280.db2.gz NLAUCWSWXOTRPO-KGLIPLIRSA-N 2 0 226.408 2.874 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000161212127 711810931 /nfs/dbraw/zinc/81/09/31/711810931.db2.gz VNUJNKQXRCGSIE-CHWSQXEVSA-N 2 0 212.381 2.626 20 30 BFEDRP C[N@H+](CCCCCC[NH3+])Cc1cccc(C#N)c1 ZINC000710766782 712256133 /nfs/dbraw/zinc/25/61/33/712256133.db2.gz QFXJEGXGUADQEH-UHFFFAOYSA-N 2 0 245.370 2.509 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000379990907 712644914 /nfs/dbraw/zinc/64/49/14/712644914.db2.gz XJUDHSQJVPKVSO-STQMWFEESA-N 2 0 212.381 2.768 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709789760 961580412 /nfs/dbraw/zinc/58/04/12/961580412.db2.gz MXRMUPVGFPHMAI-HNNXBMFYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094298 965725177 /nfs/dbraw/zinc/72/51/77/965725177.db2.gz LERSKDKASCHAHX-CYBMUJFWSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CCCCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001209433438 969501857 /nfs/dbraw/zinc/50/18/57/969501857.db2.gz WMZYXXFPYLWMDT-HUUCEWRRSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255948046 970584680 /nfs/dbraw/zinc/58/46/80/970584680.db2.gz DATCOXFIGKNWBJ-ZDUSSCGKSA-N 2 0 212.381 2.663 20 30 BFEDRP CC[NH+](CC)C1CCC([NH2+]CCCS)CC1 ZINC001173106626 975025044 /nfs/dbraw/zinc/02/50/44/975025044.db2.gz AKHYUGSTCFWVBE-UHFFFAOYSA-N 2 0 244.448 2.549 20 30 BFEDRP C=CCCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172194 978990619 /nfs/dbraw/zinc/99/06/19/978990619.db2.gz KQYUQPZHHCZFNS-HNNXBMFYSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235978856 979236889 /nfs/dbraw/zinc/23/68/89/979236889.db2.gz KRBPRIIODVQPFI-GJZGRUSLSA-N 2 0 236.403 2.936 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172479170 974777497 /nfs/dbraw/zinc/77/74/97/974777497.db2.gz HBCASHXKTRCCQB-ZDUSSCGKSA-N 2 0 237.391 2.533 20 30 BFEDRP C#CC1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256575443 970867311 /nfs/dbraw/zinc/86/73/11/970867311.db2.gz NQMZFSXRYUSKJQ-UHFFFAOYSA-N 2 0 248.414 2.595 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405807145 971313326 /nfs/dbraw/zinc/31/33/26/971313326.db2.gz RTCYGPJGRQZVGH-ZDUSSCGKSA-N 2 0 212.381 2.770 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807144 971311749 /nfs/dbraw/zinc/31/17/49/971311749.db2.gz RTCYGPJGRQZVGH-CYBMUJFWSA-N 2 0 212.381 2.770 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156944 974332111 /nfs/dbraw/zinc/33/21/11/974332111.db2.gz UPINLQUYDLYBJN-STQMWFEESA-N 2 0 230.371 2.718 20 30 BFEDRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695843115 960505506 /nfs/dbraw/zinc/50/55/06/960505506.db2.gz OCFQIEHHYJBBSJ-CYBMUJFWSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965872 963015792 /nfs/dbraw/zinc/01/57/92/963015792.db2.gz OOOSXXARISLBJI-GOOCMWNKSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CCCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763902 967156087 /nfs/dbraw/zinc/15/60/87/967156087.db2.gz RRXNVIRFNUQLJA-CYBMUJFWSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000821989788 968502253 /nfs/dbraw/zinc/50/22/53/968502253.db2.gz ZIWPGCFKOKJNNZ-CBBWQLFWSA-N 2 0 248.414 2.981 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400711663 970621371 /nfs/dbraw/zinc/62/13/71/970621371.db2.gz MJNPMQUSWRUADB-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615701 972604361 /nfs/dbraw/zinc/60/43/61/972604361.db2.gz RTMPFRKOMVXFQA-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C[C@H](CCCC#N)[NH2+]CCCC[NH+]1CCCC1 ZINC001172481546 974781659 /nfs/dbraw/zinc/78/16/59/974781659.db2.gz VYRBOZZVNYHAAB-CQSZACIVSA-N 2 0 237.391 2.534 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172488372 974832698 /nfs/dbraw/zinc/83/26/98/974832698.db2.gz MCUZYWLTTFVPLQ-HSBZDZAISA-N 2 0 237.391 2.566 20 30 BFEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001172488903 974833404 /nfs/dbraw/zinc/83/34/04/974833404.db2.gz XHGNAKYDMOBADJ-ZDUSSCGKSA-N 2 0 249.402 2.662 20 30 BFEDRP C=C(C)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173104705 975022015 /nfs/dbraw/zinc/02/20/15/975022015.db2.gz LEEMKBTWCPSXFE-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C#CCCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173105531 975025174 /nfs/dbraw/zinc/02/51/74/975025174.db2.gz JCMQYPPXDYDVDG-UHFFFAOYSA-N 2 0 236.403 2.642 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235255994 979010294 /nfs/dbraw/zinc/01/02/94/979010294.db2.gz DXYWEOBGQYRYKW-KBPBESRZSA-N 2 0 224.392 2.641 20 30 BFEDRP CCCCCCC[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235336464 979027855 /nfs/dbraw/zinc/02/78/55/979027855.db2.gz YTYDXRABPQYUNS-UHFFFAOYSA-N 2 0 238.419 2.888 20 30 BFEDRP CCCCCCC[N@H+](C)C[C@@H]([NH3+])CC ZINC001235663099 979109637 /nfs/dbraw/zinc/10/96/37/979109637.db2.gz QMDAEKRFOZWHIB-LBPRGKRZSA-N 2 0 200.370 2.626 20 30 BFEDRP C=CCCCCCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711178 979129308 /nfs/dbraw/zinc/12/93/08/979129308.db2.gz LEMXNFBCULOJLU-UHFFFAOYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236043677 979334757 /nfs/dbraw/zinc/33/47/57/979334757.db2.gz DDJHCZCSXFFSNZ-KGLIPLIRSA-N 2 0 224.392 2.792 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC[NH2+]CCC2)CC1 ZINC001236239541 979463743 /nfs/dbraw/zinc/46/37/43/979463743.db2.gz FJNZCHZYIIYMHO-MRXNPFEDSA-N 2 0 248.414 2.974 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383468 979877423 /nfs/dbraw/zinc/87/74/23/979877423.db2.gz PGYCHGURTHPLAV-CABCVRRESA-N 2 0 236.403 2.807 20 30 BFEDRP N#C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638172 986682063 /nfs/dbraw/zinc/68/20/63/986682063.db2.gz XKAUWYZEJJWMLW-HIFRSBDPSA-N 2 0 249.402 2.662 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCCC[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001246100508 987417315 /nfs/dbraw/zinc/41/73/15/987417315.db2.gz FNWYJNZGRCONQM-BLNMRFBMSA-N 2 0 248.414 2.981 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246148749 987506474 /nfs/dbraw/zinc/50/64/74/987506474.db2.gz QRYCCDNEVXXQIT-YIYPIFLZSA-N 2 0 224.392 2.543 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001246149019 987506672 /nfs/dbraw/zinc/50/66/72/987506672.db2.gz PNSSPXWHMJIRSG-KBXIAJHMSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246148748 987508558 /nfs/dbraw/zinc/50/85/58/987508558.db2.gz QRYCCDNEVXXQIT-FQUUOJAGSA-N 2 0 224.392 2.543 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001246324360 987724379 /nfs/dbraw/zinc/72/43/79/987724379.db2.gz KOJLLHRVHVFLCU-QWHCGFSZSA-N 2 0 214.397 2.920 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445895 987805493 /nfs/dbraw/zinc/80/54/93/987805493.db2.gz QNQCLOKUMMWLRB-QWHCGFSZSA-N 2 0 224.392 2.687 20 30 BFEDRP C[C@]1([NH3+])CCC[N@@H+](C2CCC(CC#N)CC2)CC1 ZINC001246554452 987960223 /nfs/dbraw/zinc/96/02/23/987960223.db2.gz VEHNGAONDNMWTP-NRXISQOPSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246561952 987992022 /nfs/dbraw/zinc/99/20/22/987992022.db2.gz VBEACYQMIYAWAJ-HZSPNIEDSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246561959 987998784 /nfs/dbraw/zinc/99/87/84/987998784.db2.gz VBEACYQMIYAWAJ-RDBSUJKOSA-N 2 0 224.392 2.648 20 30 BFEDRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccc(C#N)cc1 ZINC001118122196 988024892 /nfs/dbraw/zinc/02/48/92/988024892.db2.gz QSSVZXWWZOYJKM-WFASDCNBSA-N 2 0 245.370 2.597 20 30 BFEDRP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccc(C#N)cc1 ZINC001118122195 988026622 /nfs/dbraw/zinc/02/66/22/988026622.db2.gz QSSVZXWWZOYJKM-SWLSCSKDSA-N 2 0 245.370 2.597 20 30 BFEDRP C=C1C[C@@H]2CC([N@H+]3CCCNC[C@@H]3C)C[C@H](C1)C2 ZINC001246576048 988081485 /nfs/dbraw/zinc/08/14/85/988081485.db2.gz YVUFVDWVPZHYOF-LSVZVQIISA-N 2 0 248.414 2.805 20 30 BFEDRP C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246594335 988191400 /nfs/dbraw/zinc/19/14/00/988191400.db2.gz PZPVMWLADPAYHG-KGLIPLIRSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238349 991435600 /nfs/dbraw/zinc/43/56/00/991435600.db2.gz MBJXCEZSMFQCNA-OAGGEKHMSA-N 2 0 248.414 2.759 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238347 991437763 /nfs/dbraw/zinc/43/77/63/991437763.db2.gz MBJXCEZSMFQCNA-HRCADAONSA-N 2 0 248.414 2.759 20 30 BFEDRP C=CCC[C@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001258733891 991681850 /nfs/dbraw/zinc/68/18/50/991681850.db2.gz NRBLDPKDRHXOKD-ZDUSSCGKSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001258735670 991683710 /nfs/dbraw/zinc/68/37/10/991683710.db2.gz YTUDNGYFXRRINM-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)C(C)(C)C ZINC001574503535 992870217 /nfs/dbraw/zinc/87/02/17/992870217.db2.gz AJBUDTXPAQNKPN-KBXIAJHMSA-N 2 0 248.414 2.545 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001574872462 992932998 /nfs/dbraw/zinc/93/29/98/992932998.db2.gz MNMLNYSWRDSILV-NEPJUHHUSA-N 2 0 224.392 2.694 20 30 BFEDRP C=C[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001574881518 992935178 /nfs/dbraw/zinc/93/51/78/992935178.db2.gz IKIOSNMYIDDGMU-OAHLLOKOSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351885 398163888 /nfs/dbraw/zinc/16/38/88/398163888.db2.gz KAJJHFOIPPRHHT-UHFFFAOYSA-N 2 0 245.370 2.560 20 30 BFEDRP CCC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602588991 349613581 /nfs/dbraw/zinc/61/35/81/349613581.db2.gz WXSVOFGKLRWPIK-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP CC(C)(C)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710848 349703456 /nfs/dbraw/zinc/70/34/56/349703456.db2.gz YSQXDSBGUGPULJ-RUXDESIVSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000336686690 346917095 /nfs/dbraw/zinc/91/70/95/346917095.db2.gz FBUNOALRERTZFO-RBSFLKMASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000349457331 136352057 /nfs/dbraw/zinc/35/20/57/136352057.db2.gz OEDUGSMZNVDPAU-ZDUSSCGKSA-N 2 0 236.403 2.948 20 30 BFEDRP CC1(C)CC([NH2+][C@H]2CC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885682 136358064 /nfs/dbraw/zinc/35/80/64/136358064.db2.gz MZTXJANNCRHYTN-NEPJUHHUSA-N 2 0 249.402 2.577 20 30 BFEDRP C=C(C)CN1CCC([NH2+][C@@H](CC)C2CC2)CC1 ZINC000153041031 344735693 /nfs/dbraw/zinc/73/56/93/344735693.db2.gz DAKOVZYBBYLUGW-HNNXBMFYSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635019481 345222801 /nfs/dbraw/zinc/22/28/01/345222801.db2.gz HMFGQMLTNHKKSE-PBWFPOADSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000381574907 346377578 /nfs/dbraw/zinc/37/75/78/346377578.db2.gz ZJSONCUSNNVOBR-ZIAGYGMSSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309715269 347147442 /nfs/dbraw/zinc/14/74/42/347147442.db2.gz SODZJGPMYLGZGC-MELADBBJSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310517451 347291226 /nfs/dbraw/zinc/29/12/26/347291226.db2.gz VSZSOJYZPQIGBT-OLZOCXBDSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179252 323205502 /nfs/dbraw/zinc/20/55/02/323205502.db2.gz RDBZIAWLFUXRNW-STQMWFEESA-N 2 0 222.376 2.605 20 30 BFEDRP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420299512 192206513 /nfs/dbraw/zinc/20/65/13/192206513.db2.gz GRMPLXQZMLKZBY-OAHLLOKOSA-N 2 0 244.382 2.674 20 30 BFEDRP N#CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422973846 192531507 /nfs/dbraw/zinc/53/15/07/192531507.db2.gz PRBUUCFYNGWDSF-RBSFLKMASA-N 2 0 249.402 2.581 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122637183 134240330 /nfs/dbraw/zinc/24/03/30/134240330.db2.gz CJEIEOZANCGRNW-ZDUSSCGKSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000126767535 358554416 /nfs/dbraw/zinc/55/44/16/358554416.db2.gz VVMWZLSEULBMBL-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H](C)CCC[NH3+] ZINC000423451980 192774734 /nfs/dbraw/zinc/77/47/34/192774734.db2.gz JERCVRPSCNJVDD-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000575072306 361275507 /nfs/dbraw/zinc/27/55/07/361275507.db2.gz XIXPVAQVZNPVJN-UONOGXRCSA-N 2 0 236.403 2.982 20 30 BFEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695891 367140690 /nfs/dbraw/zinc/14/06/90/367140690.db2.gz BHQNFUPNAQPDFV-UONOGXRCSA-N 2 0 236.403 2.805 20 30 BFEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695935 367141030 /nfs/dbraw/zinc/14/10/30/367141030.db2.gz BHQNFUPNAQPDFV-KGLIPLIRSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000384875299 367747653 /nfs/dbraw/zinc/74/76/53/367747653.db2.gz RYUNJVFOCMSCCJ-JHJVBQTASA-N 2 0 224.392 2.517 20 30 BFEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000384884714 367750721 /nfs/dbraw/zinc/75/07/21/367750721.db2.gz VYOTYIJYGWXDMX-UHFFFAOYSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000385039403 367777709 /nfs/dbraw/zinc/77/77/09/367777709.db2.gz NDZDBPNHHQWBCI-BFHYXJOUSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546195 384017116 /nfs/dbraw/zinc/01/71/16/384017116.db2.gz KDHMGUFHNFMBPU-IHRRRGAJSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CC1 ZINC000309586021 384569758 /nfs/dbraw/zinc/56/97/58/384569758.db2.gz RUAVXCPXBPZYTF-OCCSQVGLSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414849025 385617997 /nfs/dbraw/zinc/61/79/97/385617997.db2.gz WZMWZDQYKSOSPQ-LBPRGKRZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000122637373 386512343 /nfs/dbraw/zinc/51/23/43/386512343.db2.gz CJEIEOZANCGRNW-CYBMUJFWSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423398496 387235130 /nfs/dbraw/zinc/23/51/30/387235130.db2.gz OZHBGDKWBMRPCC-IHRRRGAJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423398497 387235322 /nfs/dbraw/zinc/23/53/22/387235322.db2.gz OZHBGDKWBMRPCC-MELADBBJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423398492 387235657 /nfs/dbraw/zinc/23/56/57/387235657.db2.gz OZHBGDKWBMRPCC-HZSPNIEDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)[NH2+]CC ZINC000423377757 387259294 /nfs/dbraw/zinc/25/92/94/387259294.db2.gz FGXLKAAOXFXCMU-QWHCGFSZSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423386757 387271668 /nfs/dbraw/zinc/27/16/68/387271668.db2.gz RPUZMNCOCKRBHV-RDBSUJKOSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423390924 387276222 /nfs/dbraw/zinc/27/62/22/387276222.db2.gz WMXXIINNCJLNEQ-BFHYXJOUSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423434546 387286440 /nfs/dbraw/zinc/28/64/40/387286440.db2.gz ODDVOMGBJRBWTD-AVGNSLFASA-N 2 0 212.381 2.694 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423439495 387289713 /nfs/dbraw/zinc/28/97/13/387289713.db2.gz SHWMVIHTAPGSMX-IYXRBSQSSA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000423443200 387292538 /nfs/dbraw/zinc/29/25/38/387292538.db2.gz VNNZPGNQPHPLLI-GXTWGEPZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423481329 387363093 /nfs/dbraw/zinc/36/30/93/387363093.db2.gz OASKTXWGECCMIS-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423538488 387363329 /nfs/dbraw/zinc/36/33/29/387363329.db2.gz GKUUOSDXQZNPRE-JJXSEGSLSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538236 387364312 /nfs/dbraw/zinc/36/43/12/387364312.db2.gz FVLGINMVMFMDIR-APIJFGDWSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000423475006 387322707 /nfs/dbraw/zinc/32/27/07/387322707.db2.gz PPCMXELQNMIKRT-YUELXQCFSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508155 387477199 /nfs/dbraw/zinc/47/71/99/387477199.db2.gz PDKZKKPXKBVJFL-STQMWFEESA-N 2 0 212.381 2.565 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527733586 387683189 /nfs/dbraw/zinc/68/31/89/387683189.db2.gz DGBFAZJTGLAWNI-KGLIPLIRSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522226 387718779 /nfs/dbraw/zinc/71/87/79/387718779.db2.gz JXUIQNPXBDAKRO-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000527923245 387791988 /nfs/dbraw/zinc/79/19/88/387791988.db2.gz CZKYVTDGMDPOSS-GXTWGEPZSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527929036 387793852 /nfs/dbraw/zinc/79/38/52/387793852.db2.gz VWIMNRWJKRFNCD-CHWSQXEVSA-N 2 0 224.392 2.661 20 30 BFEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422996538 387803307 /nfs/dbraw/zinc/80/33/07/387803307.db2.gz MLBUWKDJFWHGAX-KCQAQPDRSA-N 2 0 245.370 2.747 20 30 BFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCC#N ZINC000422972769 387822095 /nfs/dbraw/zinc/82/20/95/387822095.db2.gz MSTXQILKABMCHY-ZIAGYGMSSA-N 2 0 237.391 2.581 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423012638 387835420 /nfs/dbraw/zinc/83/54/20/387835420.db2.gz DIJYLWMGHGWTJD-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423012256 387835449 /nfs/dbraw/zinc/83/54/49/387835449.db2.gz CPPYNVCHIZFLSA-RDGKXADDSA-N 2 0 236.403 2.994 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534334 387852355 /nfs/dbraw/zinc/85/23/55/387852355.db2.gz RHHZTUBTNCGTEM-UONOGXRCSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534332 387852473 /nfs/dbraw/zinc/85/24/73/387852473.db2.gz RHHZTUBTNCGTEM-KBPBESRZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423152922 387932258 /nfs/dbraw/zinc/93/22/58/387932258.db2.gz GMFJPPJRYPVQGN-CHWSQXEVSA-N 2 0 222.376 2.592 20 30 BFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424366811 387992381 /nfs/dbraw/zinc/99/23/81/387992381.db2.gz JTAPCZHLFIJFRV-CBBWQLFWSA-N 2 0 249.402 2.579 20 30 BFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424366813 387992445 /nfs/dbraw/zinc/99/24/45/387992445.db2.gz JTAPCZHLFIJFRV-ZQDZILKHSA-N 2 0 249.402 2.579 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423216663 387999033 /nfs/dbraw/zinc/99/90/33/387999033.db2.gz SHPXVJOFZCGANP-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453308706 388040905 /nfs/dbraw/zinc/04/09/05/388040905.db2.gz NKTQJMPDHFJHQF-MJBXVCDLSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887650 388043047 /nfs/dbraw/zinc/04/30/47/388043047.db2.gz WULLSQNXHRHYKB-ZDUSSCGKSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423274161 388054680 /nfs/dbraw/zinc/05/46/80/388054680.db2.gz LMMLFMXQSOHXFQ-CHWSQXEVSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423277567 388057695 /nfs/dbraw/zinc/05/76/95/388057695.db2.gz PYYUAPXXGQDVSF-OLZOCXBDSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423277568 388058100 /nfs/dbraw/zinc/05/81/00/388058100.db2.gz PYYUAPXXGQDVSF-QWHCGFSZSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000449252101 388162292 /nfs/dbraw/zinc/16/22/92/388162292.db2.gz QCIPOSHYMWGAQA-AWEZNQCLSA-N 2 0 236.403 2.973 20 30 BFEDRP C=C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000489484731 388217438 /nfs/dbraw/zinc/21/74/38/388217438.db2.gz XOTHMGNMKZEFPI-KBPBESRZSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CCC1(C[NH2+]C2CCN(C)CC2)CCCC1 ZINC000449605700 388240502 /nfs/dbraw/zinc/24/05/02/388240502.db2.gz NXVGVFALMNCHSJ-UHFFFAOYSA-N 2 0 236.403 2.807 20 30 BFEDRP C#C[C@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000491653880 388308319 /nfs/dbraw/zinc/30/83/19/388308319.db2.gz DQRPHNYRVPRMDI-CQSZACIVSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000398054951 388516790 /nfs/dbraw/zinc/51/67/90/388516790.db2.gz DFDOOIUMWRTWJJ-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=C(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000352014245 134035666 /nfs/dbraw/zinc/03/56/66/134035666.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366536075 135088782 /nfs/dbraw/zinc/08/87/82/135088782.db2.gz YBOSFDJCQXCXDE-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232583006 487613423 /nfs/dbraw/zinc/61/34/23/487613423.db2.gz TYUDKOLTJFYYHL-LSDHHAIUSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744671 410381317 /nfs/dbraw/zinc/38/13/17/410381317.db2.gz TYFKWHRDSJPEBA-ZDUSSCGKSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764429 410413782 /nfs/dbraw/zinc/41/37/82/410413782.db2.gz YIKGNPUGDHKAKC-STQMWFEESA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764426 410414282 /nfs/dbraw/zinc/41/42/82/410414282.db2.gz YIKGNPUGDHKAKC-CHWSQXEVSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000661382130 410596911 /nfs/dbraw/zinc/59/69/11/410596911.db2.gz SKRQBZIWPIZSEL-HUUCEWRRSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000661382131 410597366 /nfs/dbraw/zinc/59/73/66/410597366.db2.gz SKRQBZIWPIZSEL-LSDHHAIUSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000651694134 411136783 /nfs/dbraw/zinc/13/67/83/411136783.db2.gz RRUYOCPWMABXIM-MGPQQGTHSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000651822757 411146054 /nfs/dbraw/zinc/14/60/54/411146054.db2.gz JOKXSSJGLNAFDM-MGLUKCQKSA-N 2 0 248.414 2.946 20 30 BFEDRP C=C(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198469 411203475 /nfs/dbraw/zinc/20/34/75/411203475.db2.gz WLLOVXFSRXMTLK-LSDHHAIUSA-N 2 0 230.355 2.559 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805858 411520229 /nfs/dbraw/zinc/52/02/29/411520229.db2.gz MIGQQQCMOYDQLO-RQJABVFESA-N 2 0 224.392 2.517 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805860 411520612 /nfs/dbraw/zinc/52/06/12/411520612.db2.gz MIGQQQCMOYDQLO-XDQVBPFNSA-N 2 0 224.392 2.517 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)n1C ZINC000657529855 411544361 /nfs/dbraw/zinc/54/43/61/411544361.db2.gz JNNXNUYLVJIHLC-DZGCQCFKSA-N 2 0 247.386 2.953 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000663506357 411688466 /nfs/dbraw/zinc/68/84/66/411688466.db2.gz DEFUFPZPCZTZRC-LBPRGKRZSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000663506356 411688593 /nfs/dbraw/zinc/68/85/93/411688593.db2.gz DEFUFPZPCZTZRC-GFCCVEGCSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000661760270 411871293 /nfs/dbraw/zinc/87/12/93/411871293.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662299093 412087763 /nfs/dbraw/zinc/08/77/63/412087763.db2.gz KGHLXVGHKUNRQK-OAHLLOKOSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280697 412224897 /nfs/dbraw/zinc/22/48/97/412224897.db2.gz JDYWRMAHASLLIC-RWMBFGLXSA-N 2 0 212.381 2.550 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000665280927 412226618 /nfs/dbraw/zinc/22/66/18/412226618.db2.gz PKUHHDSEFRQHOL-KGLIPLIRSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000651681174 487816880 /nfs/dbraw/zinc/81/68/80/487816880.db2.gz GGCVVDLFJGJSCH-ILXRZTDVSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000651681176 487816994 /nfs/dbraw/zinc/81/69/94/487816994.db2.gz GGCVVDLFJGJSCH-QLFBSQMISA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546686032 325301490 /nfs/dbraw/zinc/30/14/90/325301490.db2.gz LMJPADCCMGUIPQ-AWEZNQCLSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000566790822 326082754 /nfs/dbraw/zinc/08/27/54/326082754.db2.gz MMSWPWUEMDRTTM-ZDUSSCGKSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000568533556 326364283 /nfs/dbraw/zinc/36/42/83/326364283.db2.gz TVKQQSAKHGZJRT-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651680298 491073683 /nfs/dbraw/zinc/07/36/83/491073683.db2.gz FTACHARIYKDZMZ-FXUDXRNXSA-N 2 0 248.414 2.948 20 30 BFEDRP C=C(CC)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000358497836 534396564 /nfs/dbraw/zinc/39/65/64/534396564.db2.gz LHXMLKFNKSMUOR-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261556164 534555604 /nfs/dbraw/zinc/55/56/04/534555604.db2.gz QLWYNVOHAHABPZ-OLZOCXBDSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354226540 534714142 /nfs/dbraw/zinc/71/41/42/534714142.db2.gz WOCMQRKKJRHYHP-KGLIPLIRSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227421 588780898 /nfs/dbraw/zinc/78/08/98/588780898.db2.gz OIRSSZBBYIJUTE-NFOMZHRRSA-N 2 0 236.403 2.853 20 30 BFEDRP CCCCCCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000111221314 582980487 /nfs/dbraw/zinc/98/04/87/582980487.db2.gz ODNCFUYHPQFDPL-LBPRGKRZSA-N 2 0 200.370 2.626 20 30 BFEDRP C#CCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511244 583378387 /nfs/dbraw/zinc/37/83/87/583378387.db2.gz BTYIENKHYWTVBJ-OAHLLOKOSA-N 2 0 236.403 2.596 20 30 BFEDRP C#CCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878661522 583390757 /nfs/dbraw/zinc/39/07/57/583390757.db2.gz DJFPNLFZZZKSJR-INIZCTEOSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293634 583639774 /nfs/dbraw/zinc/63/97/74/583639774.db2.gz IJXYGYNQDKLGTN-QWHCGFSZSA-N 2 0 212.381 2.661 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388310 584579624 /nfs/dbraw/zinc/57/96/24/584579624.db2.gz OTTOMGBUGAIDFA-GFCCVEGCSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395726 584585301 /nfs/dbraw/zinc/58/53/01/584585301.db2.gz FGDCPNABJBZRRX-ZDUSSCGKSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466995 584615021 /nfs/dbraw/zinc/61/50/21/584615021.db2.gz KBTIEHCMEOSDSP-LXTVHRRPSA-N 2 0 236.403 2.994 20 30 BFEDRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902720538 584659981 /nfs/dbraw/zinc/65/99/81/584659981.db2.gz KWKAHQBGGZHFCL-OAHLLOKOSA-N 2 0 245.370 2.551 20 30 BFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716545 584791800 /nfs/dbraw/zinc/79/18/00/584791800.db2.gz OSSLPZTYKPOBQZ-KGLIPLIRSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@]1(C[NH3+])CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747218 584795065 /nfs/dbraw/zinc/79/50/65/584795065.db2.gz PSZWJVILIFBBJS-CQSZACIVSA-N 2 0 249.402 2.521 20 30 BFEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903782985 584800234 /nfs/dbraw/zinc/80/02/34/584800234.db2.gz UZJVKCOPVBLQSP-STQMWFEESA-N 2 0 249.402 2.566 20 30 BFEDRP C=CC[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000781883591 585804879 /nfs/dbraw/zinc/80/48/79/585804879.db2.gz AEKQYHGBDBMFQS-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C[NH+](C)C1CCC(/N=C/c2ccccc2O)CC1 ZINC000817708116 586818859 /nfs/dbraw/zinc/81/88/59/586818859.db2.gz TYNJIPMMPRJDHP-LFIBNONCSA-N 2 0 246.354 2.684 20 30 BFEDRP C=CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccncc1 ZINC000817894226 586834409 /nfs/dbraw/zinc/83/44/09/586834409.db2.gz KGHCOUMLGYQEJS-ZFWWWQNUSA-N 2 0 247.386 2.806 20 30 BFEDRP CCCCCCCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817897018 586834555 /nfs/dbraw/zinc/83/45/55/586834555.db2.gz BLKCZYOESQUXFC-CYBMUJFWSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817932981 586843030 /nfs/dbraw/zinc/84/30/30/586843030.db2.gz YSVMNHGZNILGOX-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817954475 586849996 /nfs/dbraw/zinc/84/99/96/586849996.db2.gz YBRFFBMRMMDXAB-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000817962462 586853000 /nfs/dbraw/zinc/85/30/00/586853000.db2.gz MRXGQULHCOZDPR-CHWSQXEVSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000817964594 586853696 /nfs/dbraw/zinc/85/36/96/586853696.db2.gz CTYZMYRHKREDQK-GXTWGEPZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000817964599 586854099 /nfs/dbraw/zinc/85/40/99/586854099.db2.gz CTYZMYRHKREDQK-TZMCWYRMSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703278 589513599 /nfs/dbraw/zinc/51/35/99/589513599.db2.gz HWXYPUMJUIAKFS-AWEZNQCLSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251094 590008405 /nfs/dbraw/zinc/00/84/05/590008405.db2.gz SXGBWWWYHPSVJI-MELADBBJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267589 590015483 /nfs/dbraw/zinc/01/54/83/590015483.db2.gz GVTIUQRAGQXEMK-JHJVBQTASA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271389 590016130 /nfs/dbraw/zinc/01/61/30/590016130.db2.gz GVTIUQRAGQXEMK-UPJWGTAASA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877970843 590462088 /nfs/dbraw/zinc/46/20/88/590462088.db2.gz CZJBYSKCESDQPY-AWEZNQCLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149352 590505777 /nfs/dbraw/zinc/50/57/77/590505777.db2.gz WHNVUELNVTWUSW-ZIAGYGMSSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000879286141 590727537 /nfs/dbraw/zinc/72/75/37/590727537.db2.gz LGOCUHSIFYCQLZ-CYBMUJFWSA-N 2 0 224.392 2.757 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129030814 591208288 /nfs/dbraw/zinc/20/82/88/591208288.db2.gz FWIZURZHNFLWNO-STQMWFEESA-N 2 0 212.381 2.768 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429437 591660865 /nfs/dbraw/zinc/66/08/65/591660865.db2.gz VWMPRSDTIGLGLK-SOUVJXGZSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886861923 592372325 /nfs/dbraw/zinc/37/23/25/592372325.db2.gz QXKBMBOEQXFQQC-UHFFFAOYSA-N 2 0 238.762 2.677 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000104460053 592613693 /nfs/dbraw/zinc/61/36/93/592613693.db2.gz PCBHUQJIPCXPRG-CQSZACIVSA-N 2 0 226.408 2.888 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740985 631498692 /nfs/dbraw/zinc/49/86/92/631498692.db2.gz YNHQSMQRCMPDTD-LSDHHAIUSA-N 2 0 238.419 2.840 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1C/C=C\C[N@H+]1CC[C@@H]1CC=C ZINC000934460562 631848704 /nfs/dbraw/zinc/84/87/04/631848704.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 2 0 246.398 2.843 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925655813 634218160 /nfs/dbraw/zinc/21/81/60/634218160.db2.gz WPDNQHFZQFOJQJ-HUUCEWRRSA-N 2 0 236.403 2.711 20 30 BFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000925681286 634280503 /nfs/dbraw/zinc/28/05/03/634280503.db2.gz NCASUILRFDGJEM-XUXIUFHCSA-N 2 0 249.402 2.564 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802069 635349825 /nfs/dbraw/zinc/34/98/25/635349825.db2.gz DHOKMJXNHLMACP-QLFBSQMISA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904471523 637426015 /nfs/dbraw/zinc/42/60/15/637426015.db2.gz IFORXMQKCHBFEW-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C#CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000931620163 640286701 /nfs/dbraw/zinc/28/67/01/640286701.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 0 248.414 2.739 20 30 BFEDRP C#CCCCCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931717518 640333630 /nfs/dbraw/zinc/33/36/30/640333630.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 0 248.414 2.739 20 30 BFEDRP C#CCC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000933265053 642433055 /nfs/dbraw/zinc/43/30/55/642433055.db2.gz QAJXYCXPNFVSDT-OAHLLOKOSA-N 2 0 248.414 2.787 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000252951212 644927036 /nfs/dbraw/zinc/92/70/36/644927036.db2.gz DSVLISSXYXHNSB-GBJTYRQASA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925684755 646411726 /nfs/dbraw/zinc/41/17/26/646411726.db2.gz BHXBXXJOISKVGN-ZIAGYGMSSA-N 2 0 248.414 2.982 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756283 646465079 /nfs/dbraw/zinc/46/50/79/646465079.db2.gz KEYFXGYESUXALG-STQMWFEESA-N 2 0 224.392 2.790 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925836358 646504912 /nfs/dbraw/zinc/50/49/12/646504912.db2.gz ZYQUBKSIEWGSJP-CABCVRRESA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844599 646508194 /nfs/dbraw/zinc/50/81/94/646508194.db2.gz VOXIWJZURCQPFP-BYNSBNAKSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925847661 646509208 /nfs/dbraw/zinc/50/92/08/646509208.db2.gz XVFUBWKHYAJGEC-ARFHVFGLSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000703718758 712084210 /nfs/dbraw/zinc/08/42/10/712084210.db2.gz XRVQRMKYSVSYIL-SOUVJXGZSA-N 2 0 238.419 2.935 20 30 BFEDRP C=CC[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703702286 712084268 /nfs/dbraw/zinc/08/42/68/712084268.db2.gz WEOMSQWDGRWKLF-LSDHHAIUSA-N 2 0 236.403 2.664 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390150456 711107681 /nfs/dbraw/zinc/10/76/81/711107681.db2.gz TYPHTABDUWBQCZ-ZIAGYGMSSA-N 2 0 224.392 2.641 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390150454 711107692 /nfs/dbraw/zinc/10/76/92/711107692.db2.gz TYPHTABDUWBQCZ-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000724486331 710741131 /nfs/dbraw/zinc/74/11/31/710741131.db2.gz NZDROXBLNMFAFC-HUUCEWRRSA-N 2 0 236.403 2.840 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000724446206 711580816 /nfs/dbraw/zinc/58/08/16/711580816.db2.gz DVKZWZQGCIITBM-ARFHVFGLSA-N 2 0 248.414 2.711 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000724444567 711580829 /nfs/dbraw/zinc/58/08/29/711580829.db2.gz FZTNZTKDYYOSSS-KBPBESRZSA-N 2 0 234.387 2.592 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000724446210 711580852 /nfs/dbraw/zinc/58/08/52/711580852.db2.gz DVKZWZQGCIITBM-OWCLPIDISA-N 2 0 248.414 2.711 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000724444571 711580959 /nfs/dbraw/zinc/58/09/59/711580959.db2.gz FZTNZTKDYYOSSS-ZIAGYGMSSA-N 2 0 234.387 2.592 20 30 BFEDRP C=CCC1([NH2+]CC2CC[NH+](C)CC2)CCCC1 ZINC000700650328 712001720 /nfs/dbraw/zinc/00/17/20/712001720.db2.gz DMQDSRJCEOSQMO-UHFFFAOYSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000703718606 712084099 /nfs/dbraw/zinc/08/40/99/712084099.db2.gz WBZOVZCGBNYJBN-OLZOCXBDSA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000703718876 712084326 /nfs/dbraw/zinc/08/43/26/712084326.db2.gz ZMZJOJIPXDXBRA-QWHCGFSZSA-N 2 0 212.381 2.544 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000703732593 712085981 /nfs/dbraw/zinc/08/59/81/712085981.db2.gz CUGVTZHPZKXPNY-LXFSFDBISA-N 2 0 236.403 2.543 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000704006600 712095891 /nfs/dbraw/zinc/09/58/91/712095891.db2.gz VJCGUXVMJYYJPL-OLZOCXBDSA-N 2 0 236.403 2.838 20 30 BFEDRP C[N@H+](CCCCCC[NH3+])Cc1ccccc1C#N ZINC000710764467 712256661 /nfs/dbraw/zinc/25/66/61/712256661.db2.gz GZGILNYPRWYSSX-UHFFFAOYSA-N 2 0 245.370 2.509 20 30 BFEDRP C=CCCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714414309 712485628 /nfs/dbraw/zinc/48/56/28/712485628.db2.gz SSHXEZZCWQNEMM-UHFFFAOYSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209428501 957453552 /nfs/dbraw/zinc/45/35/52/957453552.db2.gz IEDLUXMIXGAENQ-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531971 960681647 /nfs/dbraw/zinc/68/16/47/960681647.db2.gz HLYSRRIFHHBKCB-UHFFFAOYSA-N 2 0 242.382 2.886 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235978858 979234904 /nfs/dbraw/zinc/23/49/04/979234904.db2.gz KRBPRIIODVQPFI-LSDHHAIUSA-N 2 0 236.403 2.936 20 30 BFEDRP C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602755 981171471 /nfs/dbraw/zinc/17/14/71/981171471.db2.gz MESLOUNBGLMCGY-ZIAGYGMSSA-N 2 0 224.392 2.650 20 30 BFEDRP CCCCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001201797628 983476079 /nfs/dbraw/zinc/47/60/79/983476079.db2.gz AGPXJQBBJFBIRS-UHFFFAOYSA-N 2 0 238.419 2.984 20 30 BFEDRP C=C(C)C[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628540 970892173 /nfs/dbraw/zinc/89/21/73/970892173.db2.gz JDJZJYDAWLPUHS-PBWFPOADSA-N 2 0 222.376 2.510 20 30 BFEDRP CCCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000105926005 971534968 /nfs/dbraw/zinc/53/49/68/971534968.db2.gz QTAYRLCMJVZQIR-UHFFFAOYSA-N 2 0 226.408 2.888 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246089091 972144744 /nfs/dbraw/zinc/14/47/44/972144744.db2.gz OPCUYOAWSMHZPE-KJAHXBPPSA-N 2 0 248.414 2.981 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+][C@H](C)C3)C[C@H](C1)C2 ZINC001246109055 972171889 /nfs/dbraw/zinc/17/18/89/972171889.db2.gz IQCUBKUHJNFWBZ-WHWZVRATSA-N 2 0 248.414 2.851 20 30 BFEDRP C#CCCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209265672 957369929 /nfs/dbraw/zinc/36/99/29/957369929.db2.gz CXRWBOMNMMADLW-MRXNPFEDSA-N 2 0 248.414 2.740 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[C@@H]([NH3+])CC)C[C@H](C1)C2 ZINC001246303829 972265555 /nfs/dbraw/zinc/26/55/55/972265555.db2.gz ATCBFPXKQHAZGC-MBOZISHXSA-N 2 0 236.403 2.838 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@]3(CC)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246461245 972333094 /nfs/dbraw/zinc/33/30/94/972333094.db2.gz ODSSFSKAHCAFAV-VFSICIBPSA-N 2 0 248.414 2.853 20 30 BFEDRP C#CCCC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162069 972402414 /nfs/dbraw/zinc/40/24/14/972402414.db2.gz XFIXSBSDLBWSCS-MRXNPFEDSA-N 2 0 248.414 2.646 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265259 972430809 /nfs/dbraw/zinc/43/08/09/972430809.db2.gz QGIRLLBFDNLPGQ-HNNXBMFYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925635714 960487933 /nfs/dbraw/zinc/48/79/33/960487933.db2.gz OKNMSSQAIDKIGC-CHWSQXEVSA-N 2 0 222.376 2.605 20 30 BFEDRP C#CC(CC)(CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168291832 964384520 /nfs/dbraw/zinc/38/45/20/964384520.db2.gz PAOZZYPZMGWGTA-UHFFFAOYSA-N 2 0 236.403 2.641 20 30 BFEDRP C=C(C)C[N@@H+](CC)C1CC[NH+](CC2CC2)CC1 ZINC001168387608 965114167 /nfs/dbraw/zinc/11/41/67/965114167.db2.gz MJEHLXJEBXMWKJ-UHFFFAOYSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235978260 966187293 /nfs/dbraw/zinc/18/72/93/966187293.db2.gz JMBYZBFNZWEDQL-ZIAGYGMSSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257940 967451093 /nfs/dbraw/zinc/45/10/93/967451093.db2.gz YUUPVMSDYXQTOS-CQSZACIVSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546658 967661263 /nfs/dbraw/zinc/66/12/63/967661263.db2.gz YBMZPAGWBNEFQZ-CQSZACIVSA-N 2 0 242.382 2.886 20 30 BFEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119229 974380748 /nfs/dbraw/zinc/38/07/48/974380748.db2.gz WKIAHKCSHHUYMO-QKDCVEJESA-N 2 0 248.414 2.641 20 30 BFEDRP CCCC[N@H+](C)CCC[NH2+][C@H](C)CCCC#N ZINC001172480375 974780242 /nfs/dbraw/zinc/78/02/42/974780242.db2.gz STLHCSOYLQFOBI-CQSZACIVSA-N 2 0 239.407 2.780 20 30 BFEDRP C[C@H](CCCC#N)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172491327 974837651 /nfs/dbraw/zinc/83/76/51/974837651.db2.gz DRMAGPIXBDOONT-CQSZACIVSA-N 2 0 249.402 2.629 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172493605 974842885 /nfs/dbraw/zinc/84/28/85/974842885.db2.gz VLBRBELACPLWTH-MELADBBJSA-N 2 0 237.391 2.531 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172493602 974843041 /nfs/dbraw/zinc/84/30/41/974843041.db2.gz VLBRBELACPLWTH-MCIONIFRSA-N 2 0 237.391 2.531 20 30 BFEDRP CCC[N@H+](CCC[NH+](C)C)[C@H](C)CCCC#N ZINC001172509652 974863383 /nfs/dbraw/zinc/86/33/83/974863383.db2.gz NIFRJVNFLBZIEE-CQSZACIVSA-N 2 0 239.407 2.732 20 30 BFEDRP CC[NH+](CC)C1CCC([NH2+]CCCC#N)CC1 ZINC001173104543 975022323 /nfs/dbraw/zinc/02/23/23/975022323.db2.gz RQBUQETXNDALTA-UHFFFAOYSA-N 2 0 237.391 2.533 20 30 BFEDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588395 975435457 /nfs/dbraw/zinc/43/54/57/975435457.db2.gz CKHFKLFCLPNTOJ-SLTAFYQDSA-N 2 0 249.402 2.533 20 30 BFEDRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591113 975442491 /nfs/dbraw/zinc/44/24/91/975442491.db2.gz SQIJKNAJMWBPSY-UHFFFAOYSA-N 2 0 237.391 2.564 20 30 BFEDRP C=CC[C@H]1CC[NH+]1CC(C)C[N@@H+]1CC[C@@H]1CC=C ZINC001333478224 975804347 /nfs/dbraw/zinc/80/43/47/975804347.db2.gz FYOSGBCZWWRDBJ-HOTGVXAUSA-N 2 0 248.414 2.923 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978238 978938860 /nfs/dbraw/zinc/93/88/60/978938860.db2.gz HMRNZUCRSAYEDP-GASCZTMLSA-N 2 0 236.403 2.664 20 30 BFEDRP CCCCCCCC[N@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235663749 979112160 /nfs/dbraw/zinc/11/21/60/979112160.db2.gz KEOQHWCFOLSFHZ-FICVDOATSA-N 2 0 238.419 2.744 20 30 BFEDRP C=CCCCCCCCN1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909955 979205146 /nfs/dbraw/zinc/20/51/46/979205146.db2.gz JQOGBVFBEXEDNX-UONOGXRCSA-N 2 0 242.382 2.884 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236043676 979339470 /nfs/dbraw/zinc/33/94/70/979339470.db2.gz DDJHCZCSXFFSNZ-KBPBESRZSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCCCC[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001236085572 979374545 /nfs/dbraw/zinc/37/45/45/979374545.db2.gz SGFIKLUGJUQCMJ-AWEZNQCLSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CCCCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019085 979803325 /nfs/dbraw/zinc/80/33/25/979803325.db2.gz BOCZDOBNDWGTQH-INIZCTEOSA-N 2 0 244.382 2.728 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763335 982414927 /nfs/dbraw/zinc/41/49/27/982414927.db2.gz PCBSRYPKLVKNRF-LBPRGKRZSA-N 2 0 246.345 2.649 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC001574899564 984120748 /nfs/dbraw/zinc/12/07/48/984120748.db2.gz AVLPWSRMOOEKJY-DGXTUMSLSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985081 984299916 /nfs/dbraw/zinc/29/99/16/984299916.db2.gz VQMAQSPKKOMDKZ-UONOGXRCSA-N 2 0 224.392 2.650 20 30 BFEDRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256959907 984845838 /nfs/dbraw/zinc/84/58/38/984845838.db2.gz AIXGAKXXJWKYPA-LTDGRNPRSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258732733 986075340 /nfs/dbraw/zinc/07/53/40/986075340.db2.gz PLAKBKUTQCGTRM-AWEZNQCLSA-N 2 0 236.403 2.759 20 30 BFEDRP CC[C@H](CC#N)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001255158879 986831938 /nfs/dbraw/zinc/83/19/38/986831938.db2.gz OGOSYGNHQSPMAA-QWHCGFSZSA-N 2 0 239.407 2.669 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246093475 987400964 /nfs/dbraw/zinc/40/09/64/987400964.db2.gz IRYFABDDQFORAJ-JZWPEALZSA-N 2 0 248.414 2.711 20 30 BFEDRP CCCCCCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246152399 987512984 /nfs/dbraw/zinc/51/29/84/987512984.db2.gz XIBRVXIRALRORN-BYNSBNAKSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246236007 987635493 /nfs/dbraw/zinc/63/54/93/987635493.db2.gz FHPMJBQPIDKMGS-QDMKHBRRSA-N 2 0 238.419 2.935 20 30 BFEDRP C=CCCCC[NH2+]CC1CC[NH+](CC)CC1 ZINC001474460798 987730444 /nfs/dbraw/zinc/73/04/44/987730444.db2.gz HDJSMEAWGGOQST-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246539284 987904758 /nfs/dbraw/zinc/90/47/58/987904758.db2.gz GXIVLVSYMHXSKF-FIZKIRAISA-N 2 0 248.414 2.648 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246573124 988071518 /nfs/dbraw/zinc/07/15/18/988071518.db2.gz GGCIOMKCQLSECG-ZIAGYGMSSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246573057 988074518 /nfs/dbraw/zinc/07/45/18/988074518.db2.gz YSOQYTDRBZJMJF-HZSPNIEDSA-N 2 0 224.392 2.648 20 30 BFEDRP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246594336 988188816 /nfs/dbraw/zinc/18/88/16/988188816.db2.gz PZPVMWLADPAYHG-UONOGXRCSA-N 2 0 237.391 2.520 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C[C@H](C1)C2 ZINC001246666956 988411057 /nfs/dbraw/zinc/41/10/57/988411057.db2.gz SXZIFYJYTXBZJD-FVPDABNVSA-N 2 0 246.398 2.558 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001560623177 991527034 /nfs/dbraw/zinc/52/70/34/991527034.db2.gz QXERVOGKGJECJG-OLMNGRFOSA-N 2 0 248.414 2.661 20 30 BFEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001258723102 991655757 /nfs/dbraw/zinc/65/57/57/991655757.db2.gz RTAJTORNMSBCID-CYBMUJFWSA-N 2 0 236.403 2.935 20 30 BFEDRP C#CCC1([NH2+]CCC2CC[NH2+]CC2)CCCCC1 ZINC001574545599 992874449 /nfs/dbraw/zinc/87/44/49/992874449.db2.gz STWATMWCDYGFMD-UHFFFAOYSA-N 2 0 248.414 2.692 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001574872697 992936076 /nfs/dbraw/zinc/93/60/76/992936076.db2.gz QYWKNWWUJDZWEB-STQMWFEESA-N 2 0 224.392 2.696 20 30 BFEDRP CCCCCCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382756614 993468041 /nfs/dbraw/zinc/46/80/41/993468041.db2.gz QELSGEJGUFFDCG-AWEZNQCLSA-N 2 0 226.408 2.888 20 30 BFEDRP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247270395 323012622 /nfs/dbraw/zinc/01/26/22/323012622.db2.gz WEFIHSTZDKGVBT-UONOGXRCSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(CC)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000313489396 259335706 /nfs/dbraw/zinc/33/57/06/259335706.db2.gz RUGRIOHXBUSXBU-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP CC1(C)CC([NH2+][C@H]2CC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885686 136357729 /nfs/dbraw/zinc/35/77/29/136357729.db2.gz MZTXJANNCRHYTN-RYUDHWBXSA-N 2 0 249.402 2.577 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000583451516 344999250 /nfs/dbraw/zinc/99/92/50/344999250.db2.gz XOLWWRUTYNRWSJ-DZGCQCFKSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008337 345216065 /nfs/dbraw/zinc/21/60/65/345216065.db2.gz SRMJPWLZTGHUQK-XJFOESAGSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013506 345218586 /nfs/dbraw/zinc/21/85/86/345218586.db2.gz YSAYYQZJOANZHH-MJBXVCDLSA-N 2 0 238.419 2.955 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309715270 347146755 /nfs/dbraw/zinc/14/67/55/347146755.db2.gz SODZJGPMYLGZGC-MJBXVCDLSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340430522 347521461 /nfs/dbraw/zinc/52/14/61/347521461.db2.gz XPZIIEPMIZWHEM-STQMWFEESA-N 2 0 224.392 2.519 20 30 BFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000596651979 348606371 /nfs/dbraw/zinc/60/63/71/348606371.db2.gz DRNMQGRTGWWXIU-SWLSCSKDSA-N 2 0 245.370 2.582 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000336738678 352145554 /nfs/dbraw/zinc/14/55/54/352145554.db2.gz OLYXXLLHANBIGE-AGIUHOORSA-N 2 0 222.376 2.556 20 30 BFEDRP C[N@H+](CCCn1ccnc1)CC(C)(C)CCC#N ZINC000290512825 352229164 /nfs/dbraw/zinc/22/91/64/352229164.db2.gz PQYRSUIJYALAMW-UHFFFAOYSA-N 2 0 248.374 2.535 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000230658230 363317190 /nfs/dbraw/zinc/31/71/90/363317190.db2.gz JGDAMTPRBGCAHI-ZDUSSCGKSA-N 2 0 212.381 2.661 20 30 BFEDRP C=C(C)C[NH+](C)C/C=C\C[N@@H+](C)CC(=C)C ZINC000351106050 355948854 /nfs/dbraw/zinc/94/88/54/355948854.db2.gz WYLNPYRVYWANKL-FPLPWBNLSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423152925 192592181 /nfs/dbraw/zinc/59/21/81/192592181.db2.gz GMFJPPJRYPVQGN-STQMWFEESA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000656200510 538784577 /nfs/dbraw/zinc/78/45/77/538784577.db2.gz NYHDCIXVLFLSLB-RRFJBIMHSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656200509 538784960 /nfs/dbraw/zinc/78/49/60/538784960.db2.gz NYHDCIXVLFLSLB-RBSFLKMASA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000582706973 357375059 /nfs/dbraw/zinc/37/50/59/357375059.db2.gz XMZMLYBLHNAARK-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289106 192680287 /nfs/dbraw/zinc/68/02/87/192680287.db2.gz WFICRXLGDQVIAM-NEPJUHHUSA-N 2 0 212.381 2.694 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847590 134216460 /nfs/dbraw/zinc/21/64/60/134216460.db2.gz GLBHGSCZVDCQJC-HNNXBMFYSA-N 2 0 238.419 2.984 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676413 134226759 /nfs/dbraw/zinc/22/67/59/134226759.db2.gz KMYHTZJHEHCOTQ-SOUVJXGZSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 ZINC000583316351 357898560 /nfs/dbraw/zinc/89/85/60/357898560.db2.gz PMGUVJXXUYVMPZ-CQSZACIVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862240 358808586 /nfs/dbraw/zinc/80/85/86/358808586.db2.gz HZSIWKAWFBOODQ-UKRRQHHQSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431808 192766863 /nfs/dbraw/zinc/76/68/63/192766863.db2.gz VONCWUHUMGHSFU-KBUPBQIOSA-N 2 0 238.419 2.942 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423536403 192804979 /nfs/dbraw/zinc/80/49/79/192804979.db2.gz HTTXAPYBGFHQFP-HNNXBMFYSA-N 2 0 234.387 2.631 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629509700 361103470 /nfs/dbraw/zinc/10/34/70/361103470.db2.gz IJPKHTDWDLMFFM-MELADBBJSA-N 2 0 236.403 2.566 20 30 BFEDRP C[C@@H]([NH2+]CCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706053 367140582 /nfs/dbraw/zinc/14/05/82/367140582.db2.gz QNWNALLZGMATJI-KGLIPLIRSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000386677387 368009788 /nfs/dbraw/zinc/00/97/88/368009788.db2.gz HLSBSMSDNUXYAB-ZIAGYGMSSA-N 2 0 216.328 2.687 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000568239939 326332845 /nfs/dbraw/zinc/33/28/45/326332845.db2.gz VOSUBSWBPUCXQI-KGLIPLIRSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122207 371323396 /nfs/dbraw/zinc/32/33/96/371323396.db2.gz MERPKMSJODHBGS-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000631222356 372245079 /nfs/dbraw/zinc/24/50/79/372245079.db2.gz WKSDQHRIBFPPJV-OLZOCXBDSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000336655146 206018805 /nfs/dbraw/zinc/01/88/05/206018805.db2.gz IKWPYCXENIPUTD-UHFFFAOYSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546194 384017128 /nfs/dbraw/zinc/01/71/28/384017128.db2.gz KDHMGUFHNFMBPU-BFHYXJOUSA-N 2 0 236.403 2.851 20 30 BFEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000045663303 384403748 /nfs/dbraw/zinc/40/37/48/384403748.db2.gz FXKSWXZSWJLBSK-ZDUSSCGKSA-N 2 0 245.370 2.551 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313477403 384413560 /nfs/dbraw/zinc/41/35/60/384413560.db2.gz CTVZQHWHJOUAAY-UONOGXRCSA-N 2 0 216.328 2.687 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000423385975 384851156 /nfs/dbraw/zinc/85/11/56/384851156.db2.gz LPLVHKOGCNDICH-IHRRRGAJSA-N 2 0 222.376 2.591 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000423385980 384852053 /nfs/dbraw/zinc/85/20/53/384852053.db2.gz LPLVHKOGCNDICH-RDBSUJKOSA-N 2 0 222.376 2.591 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000340430520 385060863 /nfs/dbraw/zinc/06/08/63/385060863.db2.gz XPZIIEPMIZWHEM-OLZOCXBDSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000309045148 385388696 /nfs/dbraw/zinc/38/86/96/385388696.db2.gz NZHFHUNJHYVWLJ-CHWSQXEVSA-N 2 0 212.381 2.519 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CC1 ZINC000309586022 385712135 /nfs/dbraw/zinc/71/21/35/385712135.db2.gz RUAVXCPXBPZYTF-TZMCWYRMSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858626 385736486 /nfs/dbraw/zinc/73/64/86/385736486.db2.gz KHJGLWFEHLJAAA-CYBMUJFWSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000120117172 387174608 /nfs/dbraw/zinc/17/46/08/387174608.db2.gz YRRYXFJRKYKJGP-BBRMVZONSA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000120282073 387184142 /nfs/dbraw/zinc/18/41/42/387184142.db2.gz QJLMPXHTBAPJIS-ZFWWWQNUSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337947 387185197 /nfs/dbraw/zinc/18/51/97/387185197.db2.gz UNUPZAUQXUMOOC-MELADBBJSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423380833 387262025 /nfs/dbraw/zinc/26/20/25/387262025.db2.gz YTQQHSZYCGBHAR-MELADBBJSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)[NH2+]CC ZINC000423379525 387262558 /nfs/dbraw/zinc/26/25/58/387262558.db2.gz MBHOJBIGOYJBMY-CHWSQXEVSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC1CC[NH2+]CC1 ZINC000643497802 387270407 /nfs/dbraw/zinc/27/04/07/387270407.db2.gz JKLHUQOBOBPTNC-CQSZACIVSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423434548 387286412 /nfs/dbraw/zinc/28/64/12/387286412.db2.gz ODDVOMGBJRBWTD-XQQFMLRXSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423460192 387309410 /nfs/dbraw/zinc/30/94/10/387309410.db2.gz MAYGMRAMWJHKJG-IGQOVBAYSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423460193 387309418 /nfs/dbraw/zinc/30/94/18/387309418.db2.gz MAYGMRAMWJHKJG-XDQVBPFNSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423487560 387333119 /nfs/dbraw/zinc/33/31/19/387333119.db2.gz CROJELNHMACXCG-MELADBBJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423489106 387333645 /nfs/dbraw/zinc/33/36/45/387333645.db2.gz WAXMSDUWZWWPCY-CABCVRRESA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423515062 387349437 /nfs/dbraw/zinc/34/94/37/387349437.db2.gz SPHSTAFHMDSIEL-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522223 387719953 /nfs/dbraw/zinc/71/99/53/387719953.db2.gz JXUIQNPXBDAKRO-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527927057 387792894 /nfs/dbraw/zinc/79/28/94/387792894.db2.gz QYVMUGHDMGGTQL-QWHCGFSZSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423012635 387836210 /nfs/dbraw/zinc/83/62/10/387836210.db2.gz DIJYLWMGHGWTJD-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423046761 387858643 /nfs/dbraw/zinc/85/86/43/387858643.db2.gz FFIMLULDPZZRIM-ZBFHGGJFSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423129810 387907377 /nfs/dbraw/zinc/90/73/77/387907377.db2.gz FPRQIFQZOHXOHP-CHWSQXEVSA-N 2 0 224.392 2.566 20 30 BFEDRP C=C(CC)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423154550 387935226 /nfs/dbraw/zinc/93/52/26/387935226.db2.gz JQGDDUSJAJZUFN-HIFRSBDPSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423158378 387938057 /nfs/dbraw/zinc/93/80/57/387938057.db2.gz WORSVNCYKDRQTJ-HIFRSBDPSA-N 2 0 246.398 2.747 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175055 387962275 /nfs/dbraw/zinc/96/22/75/387962275.db2.gz CRTQRSBWBKOFLE-STQMWFEESA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1([NH3+])CCCCC1)C1CC1 ZINC000423177474 387964799 /nfs/dbraw/zinc/96/47/99/387964799.db2.gz IWOKKORWNXLNJR-AWEZNQCLSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423216664 388000345 /nfs/dbraw/zinc/00/03/45/388000345.db2.gz SHPXVJOFZCGANP-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453308705 388041205 /nfs/dbraw/zinc/04/12/05/388041205.db2.gz NKTQJMPDHFJHQF-MGPQQGTHSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561235 388232734 /nfs/dbraw/zinc/23/27/34/388232734.db2.gz SPIQVAWRLYKCBU-MLQJFRMTSA-N 2 0 236.403 2.802 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000336662940 388261659 /nfs/dbraw/zinc/26/16/59/388261659.db2.gz WDYBZHSMIRVKHT-GFCCVEGCSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000516927821 388525276 /nfs/dbraw/zinc/52/52/76/388525276.db2.gz GXZLEQMHBWRSLL-INIZCTEOSA-N 2 0 244.382 2.980 20 30 BFEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C#N)c1 ZINC000423003432 388686308 /nfs/dbraw/zinc/68/63/08/388686308.db2.gz HUUVDYKHNCRQKJ-QWHCGFSZSA-N 2 0 245.370 2.726 20 30 BFEDRP CC[C@H](NC[C@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000423279832 388689875 /nfs/dbraw/zinc/68/98/75/388689875.db2.gz SPUQQSXJEBXGQH-GJZGRUSLSA-N 2 0 245.370 2.582 20 30 BFEDRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C#N)cc1 ZINC000423447004 388692421 /nfs/dbraw/zinc/69/24/21/388692421.db2.gz CYSCWMGVZIIJMX-IUODEOHRSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000228825041 388774311 /nfs/dbraw/zinc/77/43/11/388774311.db2.gz CXPMFIJUJOEGIW-ZIAGYGMSSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554883054 388834597 /nfs/dbraw/zinc/83/45/97/388834597.db2.gz TYLGLPYNFDKUBT-RRFJBIMHSA-N 2 0 238.419 2.907 20 30 BFEDRP C=C(C)C[NH+](C)C/C=C/C[N@@H+](C)CC(=C)C ZINC000181251308 533495238 /nfs/dbraw/zinc/49/52/38/533495238.db2.gz WYLNPYRVYWANKL-BQYQJAHWSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000304193214 134236914 /nfs/dbraw/zinc/23/69/14/134236914.db2.gz AWDWCPJIJOQTFG-UONOGXRCSA-N 2 0 216.328 2.687 20 30 BFEDRP N#C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000185760897 134394173 /nfs/dbraw/zinc/39/41/73/134394173.db2.gz FHIGLODENUKXLU-GJZGRUSLSA-N 2 0 249.402 2.534 20 30 BFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000185760933 134394215 /nfs/dbraw/zinc/39/42/15/134394215.db2.gz FHIGLODENUKXLU-CABCVRRESA-N 2 0 249.402 2.534 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252803950 135110631 /nfs/dbraw/zinc/11/06/31/135110631.db2.gz CJOUAFWDJLAVJZ-MJBXVCDLSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCCCCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340702279 135227578 /nfs/dbraw/zinc/22/75/78/135227578.db2.gz YLMMOMIBVPOISE-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232581906 487613709 /nfs/dbraw/zinc/61/37/09/487613709.db2.gz TYUDKOLTJFYYHL-HUUCEWRRSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764153 410415034 /nfs/dbraw/zinc/41/50/34/410415034.db2.gz REXDHVBCDMBWJT-AWEZNQCLSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000338562760 166260905 /nfs/dbraw/zinc/26/09/05/166260905.db2.gz FFILCQMFSNSCQF-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000651749797 411141013 /nfs/dbraw/zinc/14/10/13/411141013.db2.gz KEAZHWVJINJFGZ-HUUCEWRRSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401002638 411168299 /nfs/dbraw/zinc/16/82/99/411168299.db2.gz NNAYIJZKNOOZIF-MELADBBJSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401002634 411168757 /nfs/dbraw/zinc/16/87/57/411168757.db2.gz NNAYIJZKNOOZIF-BFHYXJOUSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000657815518 411604802 /nfs/dbraw/zinc/60/48/02/411604802.db2.gz GFVBHVQYMCTTIC-HUUCEWRRSA-N 2 0 247.386 2.998 20 30 BFEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000045664155 175875188 /nfs/dbraw/zinc/87/51/88/175875188.db2.gz MDLWWKWCSMGKBS-CYBMUJFWSA-N 2 0 245.370 2.551 20 30 BFEDRP C=C(C)COCC[NH2+]CCCc1ccc(C)nc1 ZINC000354417252 487720294 /nfs/dbraw/zinc/72/02/94/487720294.db2.gz KTTQFAXTQSXFIR-UHFFFAOYSA-N 2 0 248.370 2.505 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000651681177 487816755 /nfs/dbraw/zinc/81/67/55/487816755.db2.gz GGCVVDLFJGJSCH-RBSFLKMASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000245930490 323007681 /nfs/dbraw/zinc/00/76/81/323007681.db2.gz JBWABAIRIUOOHZ-DZGCQCFKSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179250 323205438 /nfs/dbraw/zinc/20/54/38/323205438.db2.gz RDBZIAWLFUXRNW-OLZOCXBDSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000530209406 323209831 /nfs/dbraw/zinc/20/98/31/323209831.db2.gz HGLBGFLRUAKVEK-CHWSQXEVSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219221 323218017 /nfs/dbraw/zinc/21/80/17/323218017.db2.gz KXWUFOXYTNZZKM-UONOGXRCSA-N 2 0 234.387 2.605 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000530208652 324525376 /nfs/dbraw/zinc/52/53/76/324525376.db2.gz GNDSWRHDSACUBG-CHWSQXEVSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000568239938 326332960 /nfs/dbraw/zinc/33/29/60/326332960.db2.gz VOSUBSWBPUCXQI-KBPBESRZSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377534 527426847 /nfs/dbraw/zinc/42/68/47/527426847.db2.gz RICAPWINAWHHMP-MGPQQGTHSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902442012 584597739 /nfs/dbraw/zinc/59/77/39/584597739.db2.gz GQEBAZOCKUSORY-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902442010 584597975 /nfs/dbraw/zinc/59/79/75/584597975.db2.gz GQEBAZOCKUSORY-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473274 584602332 /nfs/dbraw/zinc/60/23/32/584602332.db2.gz WRVNQAUBEMNCHL-RFQIPJPRSA-N 2 0 222.376 2.604 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450519 584606859 /nfs/dbraw/zinc/60/68/59/584606859.db2.gz STHQRLBGBGZLFE-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP CC1([NH3+])CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903745786 584794260 /nfs/dbraw/zinc/79/42/60/584794260.db2.gz RBBSXWXCYVNHPO-UHFFFAOYSA-N 2 0 249.402 2.664 20 30 BFEDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744281 584796492 /nfs/dbraw/zinc/79/64/92/584796492.db2.gz QTYRMZZSZIZMCF-KGLIPLIRSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903768835 584797826 /nfs/dbraw/zinc/79/78/26/584797826.db2.gz SBFJATQAXHIVIA-KGLIPLIRSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCCC[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000903850308 584807866 /nfs/dbraw/zinc/80/78/66/584807866.db2.gz OHBHUWZSOLFXBC-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCCC[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000903850309 584807926 /nfs/dbraw/zinc/80/79/26/584807926.db2.gz OHBHUWZSOLFXBC-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP C#CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000760814836 585397860 /nfs/dbraw/zinc/39/78/60/585397860.db2.gz HELBUNOFQYGFAE-UHFFFAOYSA-N 2 0 248.414 2.598 20 30 BFEDRP CCCCCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817897019 586835270 /nfs/dbraw/zinc/83/52/70/586835270.db2.gz BLKCZYOESQUXFC-ZDUSSCGKSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948770 586846811 /nfs/dbraw/zinc/84/68/11/586846811.db2.gz LJQICCLOVFOOCL-ZIAGYGMSSA-N 2 0 246.398 2.878 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000817964412 586854273 /nfs/dbraw/zinc/85/42/73/586854273.db2.gz BQNFCZAHOGDRKL-CYBMUJFWSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000817978471 586861872 /nfs/dbraw/zinc/86/18/72/586861872.db2.gz BRJPKMUKHJCKLW-YNEHKIRRSA-N 2 0 212.381 2.837 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818339994 586887577 /nfs/dbraw/zinc/88/75/77/586887577.db2.gz GZXLCXRUEVZPSN-CHWSQXEVSA-N 2 0 212.381 2.816 20 30 BFEDRP C#CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000829779292 587514958 /nfs/dbraw/zinc/51/49/58/587514958.db2.gz QDLFPASQRXSDPA-JKSUJKDBSA-N 2 0 248.414 2.596 20 30 BFEDRP C#CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000829779290 587515844 /nfs/dbraw/zinc/51/58/44/587515844.db2.gz QDLFPASQRXSDPA-HOTGVXAUSA-N 2 0 248.414 2.596 20 30 BFEDRP C#CC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000829811239 587519205 /nfs/dbraw/zinc/51/92/05/587519205.db2.gz ZVZYWAAZNSVKDB-MRXNPFEDSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032898 587936863 /nfs/dbraw/zinc/93/68/63/587936863.db2.gz HFVXAZASLNEXEB-ZDUSSCGKSA-N 2 0 232.371 2.632 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000863539462 589296753 /nfs/dbraw/zinc/29/67/53/589296753.db2.gz CNHKCWCEWXGZIS-NEPJUHHUSA-N 2 0 200.370 2.672 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122371042 589584824 /nfs/dbraw/zinc/58/48/24/589584824.db2.gz XJAACNCGRNBKDO-STQMWFEESA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873262858 590013941 /nfs/dbraw/zinc/01/39/41/590013941.db2.gz CMTNMYKMPNBDBR-SLBVQIDZSA-N 2 0 248.414 2.851 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000125501061 590166665 /nfs/dbraw/zinc/16/66/65/590166665.db2.gz JUFAVMQQOAZGDW-OLZOCXBDSA-N 2 0 212.381 2.626 20 30 BFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073819 590278146 /nfs/dbraw/zinc/27/81/46/590278146.db2.gz SPKOTPSUATXAQN-WUCCLRPBSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259048 590979327 /nfs/dbraw/zinc/97/93/27/590979327.db2.gz LHWLOONZIZRNOS-KBPBESRZSA-N 2 0 245.370 2.557 20 30 BFEDRP C=CCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260132 590980310 /nfs/dbraw/zinc/98/03/10/590980310.db2.gz BGBCAUMLCPFRBG-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=C(CC)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261867 590980564 /nfs/dbraw/zinc/98/05/64/590980564.db2.gz ZCBYMWSKOKONFM-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC=C)CC1 ZINC000886394022 592223254 /nfs/dbraw/zinc/22/32/54/592223254.db2.gz MUCYJJKWCJDQDE-HDJSIYSDSA-N 2 0 222.376 2.533 20 30 BFEDRP C=C(CC)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134942 592449719 /nfs/dbraw/zinc/44/97/19/592449719.db2.gz SUDPUTHOPANYEZ-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925714276 634427001 /nfs/dbraw/zinc/42/70/01/634427001.db2.gz OZXKZXAEDGKCGQ-RBSFLKMASA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843388 635510168 /nfs/dbraw/zinc/51/01/68/635510168.db2.gz NCZMMUBHEUOBCQ-RBSFLKMASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1C/C=C\C[N@H+]1CC[C@H]1CC=C ZINC000934460563 631847849 /nfs/dbraw/zinc/84/78/49/631847849.db2.gz QKURHOQXYWTULU-ILNYKDOHSA-N 2 0 246.398 2.843 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252958801 632565477 /nfs/dbraw/zinc/56/54/77/632565477.db2.gz LOTCQVZWHYRIKL-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925655809 634217802 /nfs/dbraw/zinc/21/78/02/634217802.db2.gz WPDNQHFZQFOJQJ-CABCVRRESA-N 2 0 236.403 2.711 20 30 BFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000925681285 634280009 /nfs/dbraw/zinc/28/00/09/634280009.db2.gz NCASUILRFDGJEM-XDQVBPFNSA-N 2 0 249.402 2.564 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925774841 635238794 /nfs/dbraw/zinc/23/87/94/635238794.db2.gz AADBCVXJEBPRIL-RYUDHWBXSA-N 2 0 246.345 2.566 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000904471998 637424890 /nfs/dbraw/zinc/42/48/90/637424890.db2.gz KQRRHBCTNZFPQA-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000904472003 637425666 /nfs/dbraw/zinc/42/56/66/637425666.db2.gz KQRRHBCTNZFPQA-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931436994 640201148 /nfs/dbraw/zinc/20/11/48/640201148.db2.gz MFCBPEFVKKCTIQ-CABCVRRESA-N 2 0 236.403 2.616 20 30 BFEDRP CCCCCCCC[NH+]1CCC([NH3+])CC1 ZINC000059088120 640783137 /nfs/dbraw/zinc/78/31/37/640783137.db2.gz MIVLMKGQIVNGFY-UHFFFAOYSA-N 2 0 212.381 2.770 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228903640 640903497 /nfs/dbraw/zinc/90/34/97/640903497.db2.gz VEKYHXKQYVMJDX-ZLKJLUDKSA-N 2 0 216.328 2.685 20 30 BFEDRP C=CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926685006 645355489 /nfs/dbraw/zinc/35/54/89/645355489.db2.gz JLVNTIJJOGGNRE-UHFFFAOYSA-N 2 0 224.392 2.663 20 30 BFEDRP C#CCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925158857 646198059 /nfs/dbraw/zinc/19/80/59/646198059.db2.gz BJCXSJIOTUKWHP-CQSZACIVSA-N 2 0 244.382 2.812 20 30 BFEDRP N#CCCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925609353 646359074 /nfs/dbraw/zinc/35/90/74/646359074.db2.gz TXFJIPLAGKKMKW-OAHLLOKOSA-N 2 0 245.370 2.750 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925730069 646454467 /nfs/dbraw/zinc/45/44/67/646454467.db2.gz NLBCBOYSXPOORJ-OLZOCXBDSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786854 646482749 /nfs/dbraw/zinc/48/27/49/646482749.db2.gz WCXNAHNQTBMZJY-ILXRZTDVSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793179 646484467 /nfs/dbraw/zinc/48/44/67/646484467.db2.gz XLYYWMJEEOYKNF-RDBSUJKOSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925847663 646510142 /nfs/dbraw/zinc/51/01/42/646510142.db2.gz XVFUBWKHYAJGEC-BZUAXINKSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702589705 712055523 /nfs/dbraw/zinc/05/55/23/712055523.db2.gz NMBHUGBRSKFHJX-GASCZTMLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000724549911 711589210 /nfs/dbraw/zinc/58/92/10/711589210.db2.gz SCENEBHQZLAROL-MQVJKMGUSA-N 2 0 248.414 2.948 20 30 BFEDRP C=C1CCC(C[NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000724589425 711595828 /nfs/dbraw/zinc/59/58/28/711595828.db2.gz QVXXMWSTAPNLQF-UHFFFAOYSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000703717820 712084365 /nfs/dbraw/zinc/08/43/65/712084365.db2.gz PEDVIQPMCAIWMB-VXGBXAGGSA-N 2 0 212.381 2.672 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703702284 712084421 /nfs/dbraw/zinc/08/44/21/712084421.db2.gz WEOMSQWDGRWKLF-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000704037132 712099342 /nfs/dbraw/zinc/09/93/42/712099342.db2.gz BBMFWMFEPUOJMQ-XPABHHOTSA-N 2 0 248.414 2.565 20 30 BFEDRP C=CC[N@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC001207442012 968776339 /nfs/dbraw/zinc/77/63/39/968776339.db2.gz QBVTYMQWUFVHTG-UHFFFAOYSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405422508 971252504 /nfs/dbraw/zinc/25/25/04/971252504.db2.gz YDLLQENQLJLCIR-AVGNSLFASA-N 2 0 222.376 2.591 20 30 BFEDRP CCCCCCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258039435 971560893 /nfs/dbraw/zinc/56/08/93/971560893.db2.gz PVKHQWHOURMZPG-LLVKDONJSA-N 2 0 245.436 2.952 20 30 BFEDRP CCCCCCC[C@H](CC)[NH2+]CCOCC[NH3+] ZINC001172347565 974617826 /nfs/dbraw/zinc/61/78/26/974617826.db2.gz XAWUOVVXAOJUQJ-AWEZNQCLSA-N 2 0 244.423 2.690 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246089073 972143183 /nfs/dbraw/zinc/14/31/83/972143183.db2.gz OPCUYOAWSMHZPE-AFLMIKJESA-N 2 0 248.414 2.981 20 30 BFEDRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCC#N ZINC001167826216 961163204 /nfs/dbraw/zinc/16/32/04/961163204.db2.gz PIENNCNCZYYVDG-AWEZNQCLSA-N 2 0 239.407 2.732 20 30 BFEDRP C[C@H]([NH2+]CCCCCC[NH3+])c1cccc(C#N)c1 ZINC000843342588 961961355 /nfs/dbraw/zinc/96/13/55/961961355.db2.gz RZQUEEBZIHEEBK-ZDUSSCGKSA-N 2 0 245.370 2.728 20 30 BFEDRP C=CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969876 963046073 /nfs/dbraw/zinc/04/60/73/963046073.db2.gz HGQPKYUBNOOOAC-MQVJKMGUSA-N 2 0 248.414 2.948 20 30 BFEDRP C[NH+](C)C1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001168316580 964430519 /nfs/dbraw/zinc/43/05/19/964430519.db2.gz ZTEQKIMMIHGGIP-UHFFFAOYSA-N 2 0 249.402 2.675 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235978259 966192630 /nfs/dbraw/zinc/19/26/30/966192630.db2.gz JMBYZBFNZWEDQL-UONOGXRCSA-N 2 0 222.376 2.546 20 30 BFEDRP C[NH+](C)C1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000715509671 966940066 /nfs/dbraw/zinc/94/00/66/966940066.db2.gz NXVVBZRWXUPJOR-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130296 967376588 /nfs/dbraw/zinc/37/65/88/967376588.db2.gz AWSIITPKTCKREI-UONOGXRCSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546657 967686905 /nfs/dbraw/zinc/68/69/05/967686905.db2.gz YBMZPAGWBNEFQZ-AWEZNQCLSA-N 2 0 242.382 2.886 20 30 BFEDRP C=C(C)c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001240836700 968752698 /nfs/dbraw/zinc/75/26/98/968752698.db2.gz XYYZJCKOKXWQGB-UHFFFAOYSA-N 2 0 244.382 2.890 20 30 BFEDRP C#CCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209269414 969422654 /nfs/dbraw/zinc/42/26/54/969422654.db2.gz JPABPEJHHLYQAG-JKSUJKDBSA-N 2 0 248.414 2.739 20 30 BFEDRP CC[C@@H](CC#N)[NH2+]CCCCC[NH+]1CCCC1 ZINC001255157357 969965842 /nfs/dbraw/zinc/96/58/42/969965842.db2.gz PIBRFSKFSVPSJJ-AWEZNQCLSA-N 2 0 237.391 2.534 20 30 BFEDRP CC[C@H](CC#N)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255164484 969978159 /nfs/dbraw/zinc/97/81/59/969978159.db2.gz MVVXLFXXDAFTRK-UONOGXRCSA-N 2 0 237.391 2.520 20 30 BFEDRP CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255164479 969978331 /nfs/dbraw/zinc/97/83/31/969978331.db2.gz MVVXLFXXDAFTRK-KBPBESRZSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CCCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400711664 970620913 /nfs/dbraw/zinc/62/09/13/970620913.db2.gz MJNPMQUSWRUADB-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+]CCCC[NH+]1CCCC1 ZINC001172481545 974781180 /nfs/dbraw/zinc/78/11/80/974781180.db2.gz VYRBOZZVNYHAAB-AWEZNQCLSA-N 2 0 237.391 2.534 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172489299 974834651 /nfs/dbraw/zinc/83/46/51/974834651.db2.gz QAHQWLYXANTIRD-MCIONIFRSA-N 2 0 237.391 2.531 20 30 BFEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584635 975424657 /nfs/dbraw/zinc/42/46/57/975424657.db2.gz DYPFRJAPNLTUJC-NFOMZHRRSA-N 2 0 249.402 2.533 20 30 BFEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588393 975431331 /nfs/dbraw/zinc/43/13/31/975431331.db2.gz CKHFKLFCLPNTOJ-SHARSMKWSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235008274 978944352 /nfs/dbraw/zinc/94/43/52/978944352.db2.gz PZQCVHLLLHDVDE-UHFFFAOYSA-N 2 0 236.403 2.936 20 30 BFEDRP C=CCCCCCCCN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007583 978951530 /nfs/dbraw/zinc/95/15/30/978951530.db2.gz PHDVPRWWIHEUHO-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030936 978955187 /nfs/dbraw/zinc/95/51/87/978955187.db2.gz IYSLMOUOURWYBV-HNNXBMFYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCCCN1CCC[C@]12CC[NH2+]C2 ZINC001235110840 978973516 /nfs/dbraw/zinc/97/35/16/978973516.db2.gz MZXCMRNELVXDQK-OAHLLOKOSA-N 2 0 236.403 2.951 20 30 BFEDRP CCCCCCC/C=C/C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210962 979000136 /nfs/dbraw/zinc/00/01/36/979000136.db2.gz RXRRSBNQWOEYIL-UUXYFYRBSA-N 2 0 236.403 2.792 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC001235673577 979114802 /nfs/dbraw/zinc/11/48/02/979114802.db2.gz OQRJWJYHIKJETH-JKSUJKDBSA-N 2 0 248.414 2.960 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925568 979207005 /nfs/dbraw/zinc/20/70/05/979207005.db2.gz VONOHIDHSOXQTJ-AWEZNQCLSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236413090 979587738 /nfs/dbraw/zinc/58/77/38/979587738.db2.gz AUZHAQINAKDCRV-KGLIPLIRSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CC[C@@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC001200526181 983110264 /nfs/dbraw/zinc/11/02/64/983110264.db2.gz OMHPWAYTAUAXRE-LLVKDONJSA-N 2 0 247.367 2.988 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001574899565 984122392 /nfs/dbraw/zinc/12/23/92/984122392.db2.gz AVLPWSRMOOEKJY-OLMNGRFOSA-N 2 0 248.414 2.709 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246105908 987433703 /nfs/dbraw/zinc/43/37/03/987433703.db2.gz BUWOJDKGMRLSLP-UONOGXRCSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246123469 987473889 /nfs/dbraw/zinc/47/38/89/987473889.db2.gz AORUBWBJUGRAQF-ZIAGYGMSSA-N 2 0 236.403 2.853 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246128470 987479079 /nfs/dbraw/zinc/47/90/79/987479079.db2.gz JLRZEMIWJRPCRX-UONOGXRCSA-N 2 0 249.402 2.581 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C12CC([NH3+])(C1)C2 ZINC001246499119 987852408 /nfs/dbraw/zinc/85/24/08/987852408.db2.gz BJXQWPATSJANAM-HSBZDZAISA-N 2 0 224.392 2.959 20 30 BFEDRP CC1(C#N)CCC([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553039 987953512 /nfs/dbraw/zinc/95/35/12/987953512.db2.gz QQUJFDQBFRUEOT-YMAMQOFZSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246573060 988067116 /nfs/dbraw/zinc/06/71/16/988067116.db2.gz YSOQYTDRBZJMJF-IHRRRGAJSA-N 2 0 224.392 2.648 20 30 BFEDRP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655190 988377865 /nfs/dbraw/zinc/37/78/65/988377865.db2.gz GNCXLGJNFYVVLU-IGQOVBAYSA-N 2 0 224.392 2.624 20 30 BFEDRP CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655192 988378404 /nfs/dbraw/zinc/37/84/04/988378404.db2.gz GNCXLGJNFYVVLU-MQYQWHSLSA-N 2 0 224.392 2.624 20 30 BFEDRP CCCCCCC[N@H+](C)[C@H](C)CC[NH2+]C ZINC001246774055 988455668 /nfs/dbraw/zinc/45/56/68/988455668.db2.gz FLSLVJNVKIUODT-CYBMUJFWSA-N 2 0 214.397 2.887 20 30 BFEDRP CCCCCCC[C@@H](C)[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946685 988777770 /nfs/dbraw/zinc/77/77/70/988777770.db2.gz HHKYJSWSKJDACZ-KBXIAJHMSA-N 2 0 238.419 2.885 20 30 BFEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246948496 988785381 /nfs/dbraw/zinc/78/53/81/988785381.db2.gz KKIPNBNIHMXCCE-DZGCQCFKSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001119250270 988864967 /nfs/dbraw/zinc/86/49/67/988864967.db2.gz LICVOXRHWIIRNF-ZDUSSCGKSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001326036043 989336158 /nfs/dbraw/zinc/33/61/58/989336158.db2.gz OJLGKPBIZGMQNS-OLZOCXBDSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001326036045 989337713 /nfs/dbraw/zinc/33/77/13/989337713.db2.gz OJLGKPBIZGMQNS-STQMWFEESA-N 2 0 212.381 2.709 20 30 BFEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC001308987482 991256338 /nfs/dbraw/zinc/25/63/38/991256338.db2.gz OCKJMMLHNZMPEE-UONOGXRCSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001560623178 991523144 /nfs/dbraw/zinc/52/31/44/991523144.db2.gz QXERVOGKGJECJG-RBGFHDKUSA-N 2 0 248.414 2.661 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001258724551 991659613 /nfs/dbraw/zinc/65/96/13/991659613.db2.gz ZMQGXACCKJYCFZ-MELADBBJSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001574872469 992931077 /nfs/dbraw/zinc/93/10/77/992931077.db2.gz MNMLNYSWRDSILV-RYUDHWBXSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001574872695 992934930 /nfs/dbraw/zinc/93/49/30/992934930.db2.gz QYWKNWWUJDZWEB-QWHCGFSZSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574901465 992940877 /nfs/dbraw/zinc/94/08/77/992940877.db2.gz IKYRJLXICUQIET-ZNMIVQPWSA-N 2 0 236.403 2.996 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000379990903 993304262 /nfs/dbraw/zinc/30/42/62/993304262.db2.gz XJUDHSQJVPKVSO-CHWSQXEVSA-N 2 0 212.381 2.768 20 30 BFEDRP CCCCCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000382755362 993467323 /nfs/dbraw/zinc/46/73/23/993467323.db2.gz MLOMZPLMLDLUAI-ZDUSSCGKSA-N 2 0 212.381 2.641 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000383646501 993509916 /nfs/dbraw/zinc/50/99/16/993509916.db2.gz CMSGWAQCBGSBGM-CABCVRRESA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423174197 398164414 /nfs/dbraw/zinc/16/44/14/398164414.db2.gz BOUPROKBKWOKHK-SQWLQELKSA-N 2 0 246.398 2.889 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000126731861 398219767 /nfs/dbraw/zinc/21/97/67/398219767.db2.gz ZNQXIXDFHUWPAY-ZDUSSCGKSA-N 2 0 224.392 2.805 20 30 BFEDRP N#CC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000602513574 349586205 /nfs/dbraw/zinc/58/62/05/349586205.db2.gz OSAYDHMZLRDYKC-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527733590 262877971 /nfs/dbraw/zinc/87/79/71/262877971.db2.gz DGBFAZJTGLAWNI-ZIAGYGMSSA-N 2 0 236.403 2.805 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351730375 136250349 /nfs/dbraw/zinc/25/03/49/136250349.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 2 0 248.414 2.901 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351730379 136250363 /nfs/dbraw/zinc/25/03/63/136250363.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 2 0 248.414 2.901 20 30 BFEDRP CC(C)(C)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710847 349703442 /nfs/dbraw/zinc/70/34/42/349703442.db2.gz YSQXDSBGUGPULJ-JXQTWKCFSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000336686689 346917046 /nfs/dbraw/zinc/91/70/46/346917046.db2.gz FBUNOALRERTZFO-QLFBSQMISA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000635020152 345223602 /nfs/dbraw/zinc/22/36/02/345223602.db2.gz KLSPAKJNRUGMDI-QWHCGFSZSA-N 2 0 224.392 2.696 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+]CC1(C#N)CCCCC1 ZINC000596652354 348606967 /nfs/dbraw/zinc/60/69/67/348606967.db2.gz PUIKPTHXDVJJAT-CYBMUJFWSA-N 2 0 237.391 2.568 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000530209408 323209713 /nfs/dbraw/zinc/20/97/13/323209713.db2.gz HGLBGFLRUAKVEK-QWHCGFSZSA-N 2 0 224.392 2.696 20 30 BFEDRP CC#CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120350867 349315037 /nfs/dbraw/zinc/31/50/37/349315037.db2.gz QJWHZEYLACMFKY-MRXNPFEDSA-N 2 0 248.414 2.598 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000430746765 490378747 /nfs/dbraw/zinc/37/87/47/490378747.db2.gz JFDOYHBLPKJBCR-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337085315 350554565 /nfs/dbraw/zinc/55/45/65/350554565.db2.gz ZHPMSEZZRKLDIV-HOTGVXAUSA-N 2 0 244.382 2.627 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000129948117 353328049 /nfs/dbraw/zinc/32/80/49/353328049.db2.gz VTXXMLMFTNOLTM-HOCLYGCPSA-N 2 0 244.382 2.630 20 30 BFEDRP C=CCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285789021 353550730 /nfs/dbraw/zinc/55/07/30/353550730.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 0 236.359 2.609 20 30 BFEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340477948 181070125 /nfs/dbraw/zinc/07/01/25/181070125.db2.gz OTRZHEXPUNLIAV-LSDHHAIUSA-N 2 0 249.402 2.534 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000352044448 134046360 /nfs/dbraw/zinc/04/63/60/134046360.db2.gz HQKDYKDBTKWANP-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=C(C)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423150594 192590123 /nfs/dbraw/zinc/59/01/23/192590123.db2.gz JCIFHXYXNGFQBI-UKRRQHHQSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CCC1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000423151773 192592134 /nfs/dbraw/zinc/59/21/34/192592134.db2.gz DWQZDEHUUFJTBB-UHFFFAOYSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169129914 134249306 /nfs/dbraw/zinc/24/93/06/134249306.db2.gz VEKYHXKQYVMJDX-BPNCWPANSA-N 2 0 216.328 2.685 20 30 BFEDRP C=CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836432 359226385 /nfs/dbraw/zinc/22/63/85/359226385.db2.gz TUVCCBXAKDSWFA-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629509698 361103186 /nfs/dbraw/zinc/10/31/86/361103186.db2.gz IJPKHTDWDLMFFM-BFHYXJOUSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629515338 361112235 /nfs/dbraw/zinc/11/22/35/361112235.db2.gz OSCIVJZUFZIMBK-ZIAGYGMSSA-N 2 0 236.403 2.996 20 30 BFEDRP CC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1CC ZINC000574658151 365117063 /nfs/dbraw/zinc/11/70/63/365117063.db2.gz XENJFBOYOUTZSX-HOTGVXAUSA-N 2 0 248.414 2.739 20 30 BFEDRP C[C@H]([NH2+]CCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705994 367140819 /nfs/dbraw/zinc/14/08/19/367140819.db2.gz QNWNALLZGMATJI-UONOGXRCSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000580843698 367187191 /nfs/dbraw/zinc/18/71/91/367187191.db2.gz GPFFHMDAMUTSCS-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384875291 367748077 /nfs/dbraw/zinc/74/80/77/367748077.db2.gz RYUNJVFOCMSCCJ-FRRDWIJNSA-N 2 0 224.392 2.517 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000581736725 367799858 /nfs/dbraw/zinc/79/98/58/367799858.db2.gz GKVFPCZOIJYXQZ-ZIAGYGMSSA-N 2 0 224.392 2.840 20 30 BFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000386677382 368010190 /nfs/dbraw/zinc/01/01/90/368010190.db2.gz HLSBSMSDNUXYAB-KBPBESRZSA-N 2 0 216.328 2.687 20 30 BFEDRP C=C(C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000386800727 368022981 /nfs/dbraw/zinc/02/29/81/368022981.db2.gz PZVQVDNUDNTGJC-UHFFFAOYSA-N 2 0 245.370 2.606 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459784014 203361382 /nfs/dbraw/zinc/36/13/82/203361382.db2.gz NTUQJTZYNMZFCK-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000174363169 374187585 /nfs/dbraw/zinc/18/75/85/374187585.db2.gz NCWWMIGQSQCSQJ-UKRRQHHQSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174362972 374187776 /nfs/dbraw/zinc/18/77/76/374187776.db2.gz YKVSKHZXDLIMGJ-UHFFFAOYSA-N 2 0 249.402 2.556 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545752 384014113 /nfs/dbraw/zinc/01/41/13/384014113.db2.gz BNQZNYNABMSECI-UONOGXRCSA-N 2 0 236.403 2.996 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643547854 384038049 /nfs/dbraw/zinc/03/80/49/384038049.db2.gz JTHHNQRRLGGHIS-LSDHHAIUSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858627 385736646 /nfs/dbraw/zinc/73/66/46/385736646.db2.gz KHJGLWFEHLJAAA-ZDUSSCGKSA-N 2 0 224.392 2.982 20 30 BFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000335059665 385960637 /nfs/dbraw/zinc/96/06/37/385960637.db2.gz MLWIYRZDLXWJDK-UONOGXRCSA-N 2 0 249.402 2.710 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000336664130 386755030 /nfs/dbraw/zinc/75/50/30/386755030.db2.gz XGKZFFJQRHOIOJ-MELADBBJSA-N 2 0 238.419 2.907 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000120117295 387174359 /nfs/dbraw/zinc/17/43/59/387174359.db2.gz YRRYXFJRKYKJGP-XJKSGUPXSA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423334639 387181969 /nfs/dbraw/zinc/18/19/69/387181969.db2.gz QXCKRICUTFSXRU-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230022835 387228471 /nfs/dbraw/zinc/22/84/71/387228471.db2.gz LGQZGPARFZOSQW-UHFFFAOYSA-N 2 0 232.371 2.804 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423408955 387244956 /nfs/dbraw/zinc/24/49/56/387244956.db2.gz YFQFKMMBOAWIFO-IHRRRGAJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423548345 387371119 /nfs/dbraw/zinc/37/11/19/387371119.db2.gz QTLSXIQRKSSSQE-SBJFKYEJSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000423475004 387322192 /nfs/dbraw/zinc/32/21/92/387322192.db2.gz PPCMXELQNMIKRT-QEJZJMRPSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000527923252 387791678 /nfs/dbraw/zinc/79/16/78/387791678.db2.gz CZKYVTDGMDPOSS-TZMCWYRMSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423012636 387837137 /nfs/dbraw/zinc/83/71/37/387837137.db2.gz DIJYLWMGHGWTJD-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=C(C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000423029169 387846298 /nfs/dbraw/zinc/84/62/98/387846298.db2.gz RUPSXVVDVVAACN-AWEZNQCLSA-N 2 0 232.371 2.807 20 30 BFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442653607 387813995 /nfs/dbraw/zinc/81/39/95/387813995.db2.gz RBEJXAKPHHHHOY-QLFBSQMISA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423158377 387938093 /nfs/dbraw/zinc/93/80/93/387938093.db2.gz WORSVNCYKDRQTJ-DZGCQCFKSA-N 2 0 246.398 2.747 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423158379 387939047 /nfs/dbraw/zinc/93/90/47/387939047.db2.gz WORSVNCYKDRQTJ-UKRRQHHQSA-N 2 0 246.398 2.747 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000423164917 387948616 /nfs/dbraw/zinc/94/86/16/387948616.db2.gz UAEWZMPXAQIUOQ-AWEZNQCLSA-N 2 0 236.403 2.855 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175052 387962546 /nfs/dbraw/zinc/96/25/46/387962546.db2.gz CRTQRSBWBKOFLE-CHWSQXEVSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CCCCC1 ZINC000423183065 387968545 /nfs/dbraw/zinc/96/85/45/387968545.db2.gz RBQSSSDWFHUTDK-ZDUSSCGKSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423205269 387991960 /nfs/dbraw/zinc/99/19/60/387991960.db2.gz FCCHYIOHRFYDMC-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000453227038 388015915 /nfs/dbraw/zinc/01/59/15/388015915.db2.gz CEQCOLJTVBFTEX-ZIAGYGMSSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423259788 388038200 /nfs/dbraw/zinc/03/82/00/388038200.db2.gz OWBNOIRHEDYKIG-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260996 388040017 /nfs/dbraw/zinc/04/00/17/388040017.db2.gz RDLOAHYEIRLJFO-MJBXVCDLSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453308703 388040820 /nfs/dbraw/zinc/04/08/20/388040820.db2.gz NKTQJMPDHFJHQF-BFHYXJOUSA-N 2 0 236.403 2.661 20 30 BFEDRP C=C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000489474344 388216869 /nfs/dbraw/zinc/21/68/69/388216869.db2.gz KEWJTRGCZCBSCW-HNNXBMFYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560719 388232261 /nfs/dbraw/zinc/23/22/61/388232261.db2.gz OUBLEXBRGXLJAF-FFHGMXDLSA-N 2 0 236.403 2.946 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561237 388232906 /nfs/dbraw/zinc/23/29/06/388232906.db2.gz SPIQVAWRLYKCBU-WQGXVZNYSA-N 2 0 236.403 2.802 20 30 BFEDRP C=CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247270387 388662131 /nfs/dbraw/zinc/66/21/31/388662131.db2.gz WEFIHSTZDKGVBT-KBPBESRZSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(C)C[N@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000356809928 533505863 /nfs/dbraw/zinc/50/58/63/533505863.db2.gz DMFAIVUBQGBZEI-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000352014246 134036281 /nfs/dbraw/zinc/03/62/81/134036281.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000368446473 134218382 /nfs/dbraw/zinc/21/83/82/134218382.db2.gz XHZHXPAMZWMQMP-PMPSAXMXSA-N 2 0 248.414 2.948 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000211866089 134242174 /nfs/dbraw/zinc/24/21/74/134242174.db2.gz KDKHXISUDOTOQR-ZBFHGGJFSA-N 2 0 244.382 2.772 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000178647598 134312613 /nfs/dbraw/zinc/31/26/13/134312613.db2.gz FLXXONGDOBYHJI-UHFFFAOYSA-N 2 0 237.391 2.533 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665230286 410724519 /nfs/dbraw/zinc/72/45/19/410724519.db2.gz MDGQRPVDSXHPEC-BARDWOONSA-N 2 0 236.403 2.981 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401002636 411168751 /nfs/dbraw/zinc/16/87/51/411168751.db2.gz NNAYIJZKNOOZIF-HZSPNIEDSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939224 411174008 /nfs/dbraw/zinc/17/40/08/411174008.db2.gz WAWFMMAROZGQSG-HOTGVXAUSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CCCCCC[NH2+][C@H](C)c1cnccc1N ZINC000656201315 411206610 /nfs/dbraw/zinc/20/66/10/411206610.db2.gz VLZYCWHOEYVJMW-GFCCVEGCSA-N 2 0 233.359 2.891 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655803234 411518185 /nfs/dbraw/zinc/51/81/85/411518185.db2.gz OBQIAQCQSXEWAV-TUVASFSCSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655803233 411518468 /nfs/dbraw/zinc/51/84/68/411518468.db2.gz OBQIAQCQSXEWAV-KBXIAJHMSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000657815515 411604828 /nfs/dbraw/zinc/60/48/28/411604828.db2.gz GFVBHVQYMCTTIC-GJZGRUSLSA-N 2 0 247.386 2.998 20 30 BFEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+](CC)CC ZINC000662091504 411984713 /nfs/dbraw/zinc/98/47/13/411984713.db2.gz ZDFKDNYSWAWQKK-GASCZTMLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291388 412079486 /nfs/dbraw/zinc/07/94/86/412079486.db2.gz GISBFJWVULGXMH-OAHLLOKOSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC1([NH3+])CCCC1 ZINC000665248983 412194515 /nfs/dbraw/zinc/19/45/15/412194515.db2.gz HIMWRRKSRLNSII-CYBMUJFWSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665230684 412168325 /nfs/dbraw/zinc/16/83/25/412168325.db2.gz UDJAEUVABUCVOA-KBUPBQIOSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000384861554 487751048 /nfs/dbraw/zinc/75/10/48/487751048.db2.gz OLIAQNWKXJUVCL-GFCCVEGCSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CC(C)(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000530210943 323210866 /nfs/dbraw/zinc/21/08/66/323210866.db2.gz KIWFHYCOPHZUPG-UHFFFAOYSA-N 2 0 224.392 2.696 20 30 BFEDRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000572473995 323988473 /nfs/dbraw/zinc/98/84/73/323988473.db2.gz AUHWZZRGEHGZHX-ZDUSSCGKSA-N 2 0 245.370 2.597 20 30 BFEDRP C=C(CC)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000358497837 534400090 /nfs/dbraw/zinc/40/00/90/534400090.db2.gz LHXMLKFNKSMUOR-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000309346677 534694916 /nfs/dbraw/zinc/69/49/16/534694916.db2.gz WPEYTSLAOZFWSJ-MELADBBJSA-N 2 0 224.392 2.661 20 30 BFEDRP CC#CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000482168224 526337171 /nfs/dbraw/zinc/33/71/71/526337171.db2.gz XPGAVCVERPTHEG-UHFFFAOYSA-N 2 0 248.414 2.787 20 30 BFEDRP C#CC[N@@H+](CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000891824571 582726842 /nfs/dbraw/zinc/72/68/42/582726842.db2.gz QBISEJSVXUOEPA-UHFFFAOYSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877970845 583355306 /nfs/dbraw/zinc/35/53/06/583355306.db2.gz CZJBYSKCESDQPY-CQSZACIVSA-N 2 0 236.403 2.901 20 30 BFEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000872139742 583947715 /nfs/dbraw/zinc/94/77/15/583947715.db2.gz OZOSVSRRGHWLAF-RBSFLKMASA-N 2 0 248.414 2.641 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450516 584606752 /nfs/dbraw/zinc/60/67/52/584606752.db2.gz STHQRLBGBGZLFE-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466994 584614784 /nfs/dbraw/zinc/61/47/84/584614784.db2.gz KBTIEHCMEOSDSP-BYNSBNAKSA-N 2 0 236.403 2.994 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469903 584616498 /nfs/dbraw/zinc/61/64/98/584616498.db2.gz SNBTYQWIABYLEQ-XJFOESAGSA-N 2 0 222.376 2.604 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485376 584624914 /nfs/dbraw/zinc/62/49/14/584624914.db2.gz KEDAKIJOVGPEMJ-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccco1 ZINC000902486570 584626214 /nfs/dbraw/zinc/62/62/14/584626214.db2.gz QUOXLPPRDDNRDY-JHJVBQTASA-N 2 0 234.343 2.614 20 30 BFEDRP CC1(C)[C@H]([NH2+]CCCCC2(C#N)CCC2)C[C@@H]1[NH3+] ZINC000903782983 584800091 /nfs/dbraw/zinc/80/00/91/584800091.db2.gz UZJVKCOPVBLQSP-QWHCGFSZSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCCC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933458 584825024 /nfs/dbraw/zinc/82/50/24/584825024.db2.gz RQQOFMYZCZWVBZ-AGUYFDCRSA-N 2 0 236.403 2.851 20 30 BFEDRP CCC#C[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177571 586165636 /nfs/dbraw/zinc/16/56/36/586165636.db2.gz VIRPOTCIVHKTEA-HNNXBMFYSA-N 2 0 248.414 2.596 20 30 BFEDRP CCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817880319 586831856 /nfs/dbraw/zinc/83/18/56/586831856.db2.gz PNXXZWMLNQRVHE-UHFFFAOYSA-N 2 0 224.392 2.785 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817932615 586842960 /nfs/dbraw/zinc/84/29/60/586842960.db2.gz VPLOPFHJPBVPAJ-QWHCGFSZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817954473 586849964 /nfs/dbraw/zinc/84/99/64/586849964.db2.gz YBRFFBMRMMDXAB-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000866517779 589498975 /nfs/dbraw/zinc/49/89/75/589498975.db2.gz MPOPXZCHEACOJA-LQULJDIASA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156016 589886308 /nfs/dbraw/zinc/88/63/08/589886308.db2.gz COOBNIORMUTIRP-ZFWWWQNUSA-N 2 0 236.403 2.792 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876929886 590258117 /nfs/dbraw/zinc/25/81/17/590258117.db2.gz OPWRPPKVBWNROQ-HNNXBMFYSA-N 2 0 248.414 2.644 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000126773271 590442224 /nfs/dbraw/zinc/44/22/24/590442224.db2.gz PKPHFZNYKQBELH-UONOGXRCSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877969229 590461904 /nfs/dbraw/zinc/46/19/04/590461904.db2.gz YGNLQSIZXDZSLI-CQSZACIVSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000877988337 590466821 /nfs/dbraw/zinc/46/68/21/590466821.db2.gz DIOLBGQFVMBJIG-ZDUSSCGKSA-N 2 0 224.392 2.615 20 30 BFEDRP C#CCCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000878236143 590527511 /nfs/dbraw/zinc/52/75/11/590527511.db2.gz RAZQDZZUAZVEKW-UHFFFAOYSA-N 2 0 236.403 2.642 20 30 BFEDRP C=CCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702112 590852062 /nfs/dbraw/zinc/85/20/62/590852062.db2.gz GLOAFBQESADRSV-UHFFFAOYSA-N 2 0 238.419 2.862 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475697 591054440 /nfs/dbraw/zinc/05/44/40/591054440.db2.gz HXEAQHQYOFOKGG-ZDUSSCGKSA-N 2 0 222.376 2.511 20 30 BFEDRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000925736819 634588588 /nfs/dbraw/zinc/58/85/88/634588588.db2.gz CMHWXKNZTUDGLR-CQSZACIVSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843392 635509478 /nfs/dbraw/zinc/50/94/78/635509478.db2.gz NCZMMUBHEUOBCQ-RRFJBIMHSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309240763 632834138 /nfs/dbraw/zinc/83/41/38/632834138.db2.gz WQJVNBPIZAAZAR-KBPBESRZSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925653600 634217121 /nfs/dbraw/zinc/21/71/21/634217121.db2.gz HZNRPRCVEVPCMC-AVGNSLFASA-N 2 0 224.392 2.837 20 30 BFEDRP N#CC1(CCCC[N@H+]2CC[C@@H](CC[NH3+])C2)CCC1 ZINC000903788773 637381497 /nfs/dbraw/zinc/38/14/97/637381497.db2.gz QDBDAHWTOOKFND-CQSZACIVSA-N 2 0 249.402 2.521 20 30 BFEDRP CCCCCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000059367800 640807882 /nfs/dbraw/zinc/80/78/82/640807882.db2.gz SZYXBCIUHABCEP-UHFFFAOYSA-N 2 0 212.381 2.641 20 30 BFEDRP C#CCC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000933265052 642434673 /nfs/dbraw/zinc/43/46/73/642434673.db2.gz QAJXYCXPNFVSDT-HNNXBMFYSA-N 2 0 248.414 2.787 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925683201 646411613 /nfs/dbraw/zinc/41/16/13/646411613.db2.gz MHXOJPPHBRBEGK-NWDGAFQWSA-N 2 0 224.392 2.694 20 30 BFEDRP C=C(CC)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693834 646419468 /nfs/dbraw/zinc/41/94/68/646419468.db2.gz SGNZXBDTYGZSKN-CABCVRRESA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756281 646464056 /nfs/dbraw/zinc/46/40/56/646464056.db2.gz KEYFXGYESUXALG-OLZOCXBDSA-N 2 0 224.392 2.790 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786855 646483792 /nfs/dbraw/zinc/48/37/92/646483792.db2.gz WCXNAHNQTBMZJY-KFWWJZLASA-N 2 0 238.419 2.957 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000715053348 712505326 /nfs/dbraw/zinc/50/53/26/712505326.db2.gz LYCKEDFWXJDXRO-UKRRQHHQSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000724565980 710741783 /nfs/dbraw/zinc/74/17/83/710741783.db2.gz JIWLMLQUQUAGRU-HIFRSBDPSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703671578 712082720 /nfs/dbraw/zinc/08/27/20/712082720.db2.gz ROHYYYRIMAHHKR-AWEZNQCLSA-N 2 0 224.392 2.794 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000703727437 712085532 /nfs/dbraw/zinc/08/55/32/712085532.db2.gz NCEAJCNRYXBOHD-QWHCGFSZSA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000704039010 712098867 /nfs/dbraw/zinc/09/88/67/712098867.db2.gz UBXODUBUDZKRKE-UHFFFAOYSA-N 2 0 238.419 2.910 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705927854 712138469 /nfs/dbraw/zinc/13/84/69/712138469.db2.gz YWMRNFZDIVIGRN-HNSVSWJLSA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173103162 975023358 /nfs/dbraw/zinc/02/33/58/975023358.db2.gz HPBPMQSMJIMWOL-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC001176770901 978181373 /nfs/dbraw/zinc/18/13/73/978181373.db2.gz BABCHEYODOYWKT-GJZGRUSLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=C(C)[C@@H]1CC=C(CN2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001236094136 979382871 /nfs/dbraw/zinc/38/28/71/979382871.db2.gz PBAXDDNZBADYAB-YUELXQCFSA-N 2 0 234.387 2.568 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201762169 983463912 /nfs/dbraw/zinc/46/39/12/983463912.db2.gz AHQKICDEKXZNPL-CABCVRRESA-N 2 0 238.419 2.840 20 30 BFEDRP CCCCCCC[C@H](CC)[NH2+]CC1C[NH2+]C1 ZINC001246090324 972142314 /nfs/dbraw/zinc/14/23/14/972142314.db2.gz DUYBIUAQBVVLLY-AWEZNQCLSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220454 972220740 /nfs/dbraw/zinc/22/07/40/972220740.db2.gz JUGAKWINQLUTKE-LJISPDSOSA-N 2 0 238.419 2.933 20 30 BFEDRP C=CCCCC[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001209208676 957354357 /nfs/dbraw/zinc/35/43/57/957354357.db2.gz XKDHNNGYKVPFAD-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000309320417 959840354 /nfs/dbraw/zinc/84/03/54/959840354.db2.gz GSUCLERINPOZCP-CQSZACIVSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CCCCCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269688 968187819 /nfs/dbraw/zinc/18/78/19/968187819.db2.gz ROXVSJSANCBWMJ-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000821989790 968503852 /nfs/dbraw/zinc/50/38/52/968503852.db2.gz ZIWPGCFKOKJNNZ-LXTVHRRPSA-N 2 0 248.414 2.981 20 30 BFEDRP C=C(C)C[N@H+](CC)CC1CC[NH+](CC)CC1 ZINC001208597698 969152530 /nfs/dbraw/zinc/15/25/30/969152530.db2.gz KXVDOROOGCMVMU-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099940 974346987 /nfs/dbraw/zinc/34/69/87/974346987.db2.gz KUZAVNOYDDKNSK-QKDCVEJESA-N 2 0 248.414 2.783 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+]CCCCCCC[NH3+] ZINC001172485826 974788726 /nfs/dbraw/zinc/78/87/26/974788726.db2.gz UMPQEEHIYXUFEI-ZDUSSCGKSA-N 2 0 225.380 2.568 20 30 BFEDRP C=CCCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009040 978272913 /nfs/dbraw/zinc/27/29/13/978272913.db2.gz VXDDWEMOQKSIIV-IYBDPMFKSA-N 2 0 248.414 2.760 20 30 BFEDRP C=CC[NH+](CC=C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235840303 979167287 /nfs/dbraw/zinc/16/72/87/979167287.db2.gz IQWNQCFYQBNYLD-UHFFFAOYSA-N 2 0 242.366 2.506 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236413089 979587488 /nfs/dbraw/zinc/58/74/88/979587488.db2.gz AUZHAQINAKDCRV-KBPBESRZSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001258723593 986058802 /nfs/dbraw/zinc/05/88/02/986058802.db2.gz ZMQGXACCKJYCFZ-MGPQQGTHSA-N 2 0 224.392 2.804 20 30 BFEDRP CC[C@@H](CC#N)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001255158884 986831803 /nfs/dbraw/zinc/83/18/03/986831803.db2.gz OGOSYGNHQSPMAA-STQMWFEESA-N 2 0 239.407 2.669 20 30 BFEDRP CC[C@H](CC#N)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255164485 986837918 /nfs/dbraw/zinc/83/79/18/986837918.db2.gz MVVXLFXXDAFTRK-ZIAGYGMSSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693734865 987314918 /nfs/dbraw/zinc/31/49/18/987314918.db2.gz DHBLXLKGDZUEOL-FRRDWIJNSA-N 2 0 236.403 2.565 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H](C)NC3)C[C@H](C1)C2 ZINC001246084490 987382040 /nfs/dbraw/zinc/38/20/40/987382040.db2.gz KJYFPNNEZKXZPJ-KRMXURRVSA-N 2 0 248.414 2.851 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246123466 987471055 /nfs/dbraw/zinc/47/10/55/987471055.db2.gz AORUBWBJUGRAQF-UONOGXRCSA-N 2 0 236.403 2.853 20 30 BFEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150655 987507283 /nfs/dbraw/zinc/50/72/83/987507283.db2.gz XIBRVXIRALRORN-APIJFGDWSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001246149017 987507653 /nfs/dbraw/zinc/50/76/53/987507653.db2.gz PNSSPXWHMJIRSG-BYNSBNAKSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001246189030 987570289 /nfs/dbraw/zinc/57/02/89/987570289.db2.gz LOVTXFZFLPXDLH-AVGNSLFASA-N 2 0 212.381 2.815 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@@]3(C)CCC[NH2+]3)C[C@H](C1)C2 ZINC001246454177 987809401 /nfs/dbraw/zinc/80/94/01/987809401.db2.gz ACRIFTLHUWUSDK-VFSICIBPSA-N 2 0 248.414 2.853 20 30 BFEDRP CC1(C#N)CCC([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553035 987950812 /nfs/dbraw/zinc/95/08/12/987950812.db2.gz QQUJFDQBFRUEOT-NRXISQOPSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246573123 988073681 /nfs/dbraw/zinc/07/36/81/988073681.db2.gz GGCIOMKCQLSECG-UONOGXRCSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612142 988242575 /nfs/dbraw/zinc/24/25/75/988242575.db2.gz HNPRVFKZVKUISY-CABCVRRESA-N 2 0 236.403 2.949 20 30 BFEDRP CC[C@@H](CC#N)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246656333 988387299 /nfs/dbraw/zinc/38/72/99/988387299.db2.gz NMIWTJMSQCARHA-GJZGRUSLSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCCCCC[N@H+](C)[C@@H](C)CC[NH2+]C ZINC001246774056 988457086 /nfs/dbraw/zinc/45/70/86/988457086.db2.gz FLSLVJNVKIUODT-ZDUSSCGKSA-N 2 0 214.397 2.887 20 30 BFEDRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC001308987481 991257007 /nfs/dbraw/zinc/25/70/07/991257007.db2.gz OCKJMMLHNZMPEE-KGLIPLIRSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001258724550 991660401 /nfs/dbraw/zinc/66/04/01/991660401.db2.gz ZMQGXACCKJYCFZ-MCIONIFRSA-N 2 0 224.392 2.804 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001474734672 991785100 /nfs/dbraw/zinc/78/51/00/991785100.db2.gz CDQKDDAWYSQKJB-MRXNPFEDSA-N 2 0 248.414 2.502 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001474734671 991785843 /nfs/dbraw/zinc/78/58/43/991785843.db2.gz CDQKDDAWYSQKJB-INIZCTEOSA-N 2 0 248.414 2.502 20 30 BFEDRP C#C[C@@](C)(CC)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902262 991896652 /nfs/dbraw/zinc/89/66/52/991896652.db2.gz RVSUJTHRYKUYGF-CABCVRRESA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC(C)(C)CCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001574872598 992934826 /nfs/dbraw/zinc/93/48/26/992934826.db2.gz QISXXOCSRDRVRP-CQSZACIVSA-N 2 0 224.392 2.568 20 30 BFEDRP C=CC(C)(C)CCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001574872597 992936673 /nfs/dbraw/zinc/93/66/73/992936673.db2.gz QISXXOCSRDRVRP-AWEZNQCLSA-N 2 0 224.392 2.568 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCN(C)CCCC ZINC000380329981 993325048 /nfs/dbraw/zinc/32/50/48/993325048.db2.gz NTBKAWSPYHURON-CYBMUJFWSA-N 2 0 212.381 2.663 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381389717 993392037 /nfs/dbraw/zinc/39/20/37/993392037.db2.gz NBQUJRYOXWGHMO-MJBXVCDLSA-N 2 0 224.392 2.626 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001577430084 993664519 /nfs/dbraw/zinc/66/45/19/993664519.db2.gz MXHYCLPEGDMXOP-KGLIPLIRSA-N 2 0 224.392 2.770 20 30 BFEDRP CCCCCCCCC[N@H+](C)CC1C[NH2+]C1 ZINC001577429972 993665558 /nfs/dbraw/zinc/66/55/58/993665558.db2.gz FOHVLHVLNIRSMD-UHFFFAOYSA-N 2 0 226.408 2.888 20 30 BFEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000602519976 349573927 /nfs/dbraw/zinc/57/39/27/349573927.db2.gz CBAGEICJYBTLSE-ZDUSSCGKSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351598736 136247353 /nfs/dbraw/zinc/24/73/53/136247353.db2.gz VEGMSIKTQGVQMP-OAHLLOKOSA-N 2 0 236.403 2.759 20 30 BFEDRP C[C@H](CCC#N)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000602639190 349652763 /nfs/dbraw/zinc/65/27/63/349652763.db2.gz WGZQSOCATNOTOJ-WLYUNCDWSA-N 2 0 249.402 2.533 20 30 BFEDRP C[C@@H](CCC#N)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000602679943 349672379 /nfs/dbraw/zinc/67/23/79/349672379.db2.gz CAUOYEGAMDGYEL-ZDUSSCGKSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000126822910 343171227 /nfs/dbraw/zinc/17/12/27/343171227.db2.gz SYTOTSFXANDASC-CYBMUJFWSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733233 344113067 /nfs/dbraw/zinc/11/30/67/344113067.db2.gz ANDZBFZPDMYVLO-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733236 344113293 /nfs/dbraw/zinc/11/32/93/344113293.db2.gz ANDZBFZPDMYVLO-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000126697001 344182622 /nfs/dbraw/zinc/18/26/22/344182622.db2.gz BPQGTXBEMUECKQ-CYBMUJFWSA-N 2 0 212.381 2.663 20 30 BFEDRP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000358512498 344570292 /nfs/dbraw/zinc/57/02/92/344570292.db2.gz TVUAAZPDOZWKQB-HNNXBMFYSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000635003450 345206171 /nfs/dbraw/zinc/20/61/71/345206171.db2.gz DCXFMRCJDWCQMR-QEJZJMRPSA-N 2 0 236.403 2.838 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253193357 535006244 /nfs/dbraw/zinc/00/62/44/535006244.db2.gz OPNWZQGDZXMODN-KBPBESRZSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494922 362918913 /nfs/dbraw/zinc/91/89/13/362918913.db2.gz JOJWJUPXXBQOCT-ZDUSSCGKSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336686960 350953355 /nfs/dbraw/zinc/95/33/55/350953355.db2.gz UUZAXLZFDPCIGH-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000577696559 366038420 /nfs/dbraw/zinc/03/84/20/366038420.db2.gz BPESYYXDDQFKAS-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCSCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231932915 353674001 /nfs/dbraw/zinc/67/40/01/353674001.db2.gz OYAGGCNVIXOVBE-ZIAGYGMSSA-N 2 0 248.395 2.640 20 30 BFEDRP C=CCSCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231932918 353674206 /nfs/dbraw/zinc/67/42/06/353674206.db2.gz OYAGGCNVIXOVBE-KGLIPLIRSA-N 2 0 248.395 2.640 20 30 BFEDRP N#C[C@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340477945 181070057 /nfs/dbraw/zinc/07/00/57/181070057.db2.gz OTRZHEXPUNLIAV-GJZGRUSLSA-N 2 0 249.402 2.534 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335249052 355167209 /nfs/dbraw/zinc/16/72/09/355167209.db2.gz NACSDDHCMAZRNJ-GXTWGEPZSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420299510 192207332 /nfs/dbraw/zinc/20/73/32/192207332.db2.gz GRMPLXQZMLKZBY-HNNXBMFYSA-N 2 0 244.382 2.674 20 30 BFEDRP C=CCCCCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420307989 192209769 /nfs/dbraw/zinc/20/97/69/192209769.db2.gz RUAPQOTVVZMAGD-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000300224467 356487953 /nfs/dbraw/zinc/48/79/53/356487953.db2.gz NNNBTAVBLCMJIW-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=C(CC)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701801 356607497 /nfs/dbraw/zinc/60/74/97/356607497.db2.gz BIWQRPAOESMQFW-UHFFFAOYSA-N 2 0 245.370 2.560 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000656200508 538784438 /nfs/dbraw/zinc/78/44/38/538784438.db2.gz NYHDCIXVLFLSLB-QLFBSQMISA-N 2 0 236.403 2.711 20 30 BFEDRP C=C(C)CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015418 358068276 /nfs/dbraw/zinc/06/82/76/358068276.db2.gz HOSBDSFBLBQHLJ-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629390515 361036965 /nfs/dbraw/zinc/03/69/65/361036965.db2.gz REUNIDLHDCDZHF-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000629509678 361103731 /nfs/dbraw/zinc/10/37/31/361103731.db2.gz HFPBPKAWRIAEBT-LBPRGKRZSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629515334 361112991 /nfs/dbraw/zinc/11/29/91/361112991.db2.gz OSCIVJZUFZIMBK-KBPBESRZSA-N 2 0 236.403 2.996 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000310025909 491160322 /nfs/dbraw/zinc/16/03/22/491160322.db2.gz PFYVTTMONXIJEP-JSGCOSHPSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000573459214 364840162 /nfs/dbraw/zinc/84/01/62/364840162.db2.gz WVCIHYJUXMNEHR-UHFFFAOYSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459784012 203368477 /nfs/dbraw/zinc/36/84/77/203368477.db2.gz NTUQJTZYNMZFCK-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000631222361 372244960 /nfs/dbraw/zinc/24/49/60/372244960.db2.gz WKSDQHRIBFPPJV-QWHCGFSZSA-N 2 0 224.392 2.519 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313477405 384413553 /nfs/dbraw/zinc/41/35/53/384413553.db2.gz CTVZQHWHJOUAAY-ZIAGYGMSSA-N 2 0 216.328 2.687 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367597361 384492390 /nfs/dbraw/zinc/49/23/90/384492390.db2.gz MSOQWWQFEAARHC-RBSFLKMASA-N 2 0 236.403 2.805 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000310975354 384608692 /nfs/dbraw/zinc/60/86/92/384608692.db2.gz DBXNGCFHRTUHGV-OLZOCXBDSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000423385977 384851921 /nfs/dbraw/zinc/85/19/21/384851921.db2.gz LPLVHKOGCNDICH-MCIONIFRSA-N 2 0 222.376 2.591 20 30 BFEDRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000572473994 386050667 /nfs/dbraw/zinc/05/06/67/386050667.db2.gz AUHWZZRGEHGZHX-CYBMUJFWSA-N 2 0 245.370 2.597 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977045 386572327 /nfs/dbraw/zinc/57/23/27/386572327.db2.gz XKMFQAUNOBJXES-LSDHHAIUSA-N 2 0 236.403 2.664 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000335490945 386610396 /nfs/dbraw/zinc/61/03/96/386610396.db2.gz HNESZCITHCZHMJ-FGZQJIAISA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000162617059 387130429 /nfs/dbraw/zinc/13/04/29/387130429.db2.gz DSVLISSXYXHNSB-LJISPDSOSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423334638 387181838 /nfs/dbraw/zinc/18/18/38/387181838.db2.gz QXCKRICUTFSXRU-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353446 387205384 /nfs/dbraw/zinc/20/53/84/387205384.db2.gz BSCDQNVYYJVHAO-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423380832 387263210 /nfs/dbraw/zinc/26/32/10/387263210.db2.gz YTQQHSZYCGBHAR-IHRRRGAJSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395153 387281061 /nfs/dbraw/zinc/28/10/61/387281061.db2.gz RSXKUEYSUSCDSV-STQMWFEESA-N 2 0 244.382 2.980 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395149 387282042 /nfs/dbraw/zinc/28/20/42/387282042.db2.gz RSXKUEYSUSCDSV-OLZOCXBDSA-N 2 0 244.382 2.980 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438199 387288795 /nfs/dbraw/zinc/28/87/95/387288795.db2.gz MTJFPEJVXOOOIL-HRCADAONSA-N 2 0 248.414 2.709 20 30 BFEDRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423439491 387289955 /nfs/dbraw/zinc/28/99/55/387289955.db2.gz SHWMVIHTAPGSMX-HSBZDZAISA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCCCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000514873518 387302055 /nfs/dbraw/zinc/30/20/55/387302055.db2.gz RSNKZWCDDQFWSW-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423481327 387362726 /nfs/dbraw/zinc/36/27/26/387362726.db2.gz OASKTXWGECCMIS-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423557649 387375844 /nfs/dbraw/zinc/37/58/44/387375844.db2.gz NLDNGZFCTHTWJD-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=C(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423027166 387843579 /nfs/dbraw/zinc/84/35/79/387843579.db2.gz OMCAIPVQYRELLD-HZPDHXFCSA-N 2 0 244.382 2.807 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423044838 387854591 /nfs/dbraw/zinc/85/45/91/387854591.db2.gz BFRPFIVNJGGIGL-STQMWFEESA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423044836 387854811 /nfs/dbraw/zinc/85/48/11/387854811.db2.gz BFRPFIVNJGGIGL-OLZOCXBDSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423096141 387884772 /nfs/dbraw/zinc/88/47/72/387884772.db2.gz GYZAMJXCYPIQNZ-AAEUAGOBSA-N 2 0 247.386 2.854 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423122201 387902723 /nfs/dbraw/zinc/90/27/23/387902723.db2.gz JOOQEVJVILGVHV-OLZOCXBDSA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423205268 387992094 /nfs/dbraw/zinc/99/20/94/387992094.db2.gz FCCHYIOHRFYDMC-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423208642 387992549 /nfs/dbraw/zinc/99/25/49/387992549.db2.gz DJDSGABHVNWAIV-XUXIUFHCSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887649 388043583 /nfs/dbraw/zinc/04/35/83/388043583.db2.gz WULLSQNXHRHYKB-CYBMUJFWSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246436 388030485 /nfs/dbraw/zinc/03/04/85/388030485.db2.gz KAZWVGHXURXINO-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423274162 388055175 /nfs/dbraw/zinc/05/51/75/388055175.db2.gz LMMLFMXQSOHXFQ-OLZOCXBDSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423277566 388058211 /nfs/dbraw/zinc/05/82/11/388058211.db2.gz PYYUAPXXGQDVSF-CHWSQXEVSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453397624 388070137 /nfs/dbraw/zinc/07/01/37/388070137.db2.gz JSFWBRXDGWZXIM-CYBMUJFWSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289109 388074412 /nfs/dbraw/zinc/07/44/12/388074412.db2.gz WFICRXLGDQVIAM-VXGBXAGGSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554883055 388834877 /nfs/dbraw/zinc/83/48/77/388834877.db2.gz TYLGLPYNFDKUBT-SOUVJXGZSA-N 2 0 238.419 2.907 20 30 BFEDRP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274865333 389049947 /nfs/dbraw/zinc/04/99/47/389049947.db2.gz VMLILOQMLVOKCO-GDBMZVCRSA-N 2 0 244.382 2.673 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000368446471 134218258 /nfs/dbraw/zinc/21/82/58/134218258.db2.gz XHZHXPAMZWMQMP-JYJNAYRXSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576408 134267831 /nfs/dbraw/zinc/26/78/31/134267831.db2.gz UJWGRGUGLADUIP-HNNXBMFYSA-N 2 0 236.403 2.903 20 30 BFEDRP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000185774934 134394822 /nfs/dbraw/zinc/39/48/22/134394822.db2.gz GSRBYFMBYQNLIV-RRFJBIMHSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038958 /nfs/dbraw/zinc/03/89/58/135038958.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 0 236.403 2.900 20 30 BFEDRP C[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C ZINC000263595617 135360835 /nfs/dbraw/zinc/36/08/35/135360835.db2.gz DTWOOFHEPRSPPW-HZPDHXFCSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764154 410414962 /nfs/dbraw/zinc/41/49/62/410414962.db2.gz REXDHVBCDMBWJT-CQSZACIVSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338562086 166263892 /nfs/dbraw/zinc/26/38/92/166263892.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338562088 166264516 /nfs/dbraw/zinc/26/45/16/166264516.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000651691726 411136821 /nfs/dbraw/zinc/13/68/21/411136821.db2.gz FEDCCUDPFRCZOQ-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000651709185 411137843 /nfs/dbraw/zinc/13/78/43/411137843.db2.gz NGOHYVWIQFCZFL-QLFBSQMISA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939225 411174511 /nfs/dbraw/zinc/17/45/11/411174511.db2.gz WAWFMMAROZGQSG-HZPDHXFCSA-N 2 0 248.414 2.973 20 30 BFEDRP C=C(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198466 411203359 /nfs/dbraw/zinc/20/33/59/411203359.db2.gz WLLOVXFSRXMTLK-CABCVRRESA-N 2 0 230.355 2.559 20 30 BFEDRP C=CCC1([NH2+]C[C@H]([NH3+])CC(C)C)CCCC1 ZINC000656792012 411372314 /nfs/dbraw/zinc/37/23/14/411372314.db2.gz NGPZRKWDKGIUNK-CYBMUJFWSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000657814853 411604196 /nfs/dbraw/zinc/60/41/96/411604196.db2.gz ADBGFCSYRWUEHV-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000657815513 411605040 /nfs/dbraw/zinc/60/50/40/411605040.db2.gz GFVBHVQYMCTTIC-CABCVRRESA-N 2 0 247.386 2.998 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1C ZINC000657863122 411613371 /nfs/dbraw/zinc/61/33/71/411613371.db2.gz IQAXRSUBSMIZFK-GJZGRUSLSA-N 2 0 247.386 2.916 20 30 BFEDRP C=CCC1([NH2+]CCn2ccnc2C)CCCC1 ZINC000661851829 411902474 /nfs/dbraw/zinc/90/24/74/411902474.db2.gz GGHHHWBVCCEPJC-UHFFFAOYSA-N 2 0 233.359 2.670 20 30 BFEDRP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000661760272 411871229 /nfs/dbraw/zinc/87/12/29/411871229.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 2 0 224.392 2.757 20 30 BFEDRP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[N@H+]1C ZINC000662087956 411983828 /nfs/dbraw/zinc/98/38/28/411983828.db2.gz RDRANJSERNRIAN-KFWWJZLASA-N 2 0 234.387 2.654 20 30 BFEDRP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[N@H+]1C ZINC000662087957 411984014 /nfs/dbraw/zinc/98/40/14/411984014.db2.gz RDRANJSERNRIAN-SOUVJXGZSA-N 2 0 234.387 2.654 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665230683 412168226 /nfs/dbraw/zinc/16/82/26/412168226.db2.gz UDJAEUVABUCVOA-GBJTYRQASA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000530209409 323209857 /nfs/dbraw/zinc/20/98/57/323209857.db2.gz HGLBGFLRUAKVEK-STQMWFEESA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000121087515 324003377 /nfs/dbraw/zinc/00/33/77/324003377.db2.gz JBWABAIRIUOOHZ-HIFRSBDPSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717631 490522091 /nfs/dbraw/zinc/52/20/91/490522091.db2.gz HULPEEBGYXROMB-LLVKDONJSA-N 2 0 236.334 2.729 20 30 BFEDRP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358615503 534373730 /nfs/dbraw/zinc/37/37/30/534373730.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261556166 534554604 /nfs/dbraw/zinc/55/46/04/534554604.db2.gz QLWYNVOHAHABPZ-STQMWFEESA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000309255186 534690676 /nfs/dbraw/zinc/69/06/76/534690676.db2.gz CFARBZGCMMHLCC-UHFFFAOYSA-N 2 0 224.392 2.807 20 30 BFEDRP CC[NH+](CC#CC[N@@H+](CC)C1CCC1)C1CCC1 ZINC000341885520 535766335 /nfs/dbraw/zinc/76/63/35/535766335.db2.gz DYMHGQOSCKSYIC-UHFFFAOYSA-N 2 0 248.414 2.739 20 30 BFEDRP C=C(Cl)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000726072363 583334774 /nfs/dbraw/zinc/33/47/74/583334774.db2.gz QGIAWDMKOIZUBC-UHFFFAOYSA-N 2 0 230.783 2.544 20 30 BFEDRP C#CC[N@@H+](CCCc1cnccc1C)C(C)C ZINC000897171089 583889236 /nfs/dbraw/zinc/88/92/36/583889236.db2.gz PYZGEEPXWIDMOV-UHFFFAOYSA-N 2 0 230.355 2.666 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccco1 ZINC000873249569 584128189 /nfs/dbraw/zinc/12/81/89/584128189.db2.gz LXPFMMDRGUMFHL-XQQFMLRXSA-N 2 0 234.343 2.614 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902442011 584597665 /nfs/dbraw/zinc/59/76/65/584597665.db2.gz GQEBAZOCKUSORY-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468256 584614597 /nfs/dbraw/zinc/61/45/97/584614597.db2.gz SNBTYQWIABYLEQ-RFQIPJPRSA-N 2 0 222.376 2.604 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469902 584616649 /nfs/dbraw/zinc/61/66/49/584616649.db2.gz SNBTYQWIABYLEQ-IGQOVBAYSA-N 2 0 222.376 2.604 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCCCC[NH2+]2)CC1 ZINC000902485294 584625004 /nfs/dbraw/zinc/62/50/04/584625004.db2.gz ZJDPZOYFOMBOJU-SHARSMKWSA-N 2 0 249.402 2.581 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764808 584797329 /nfs/dbraw/zinc/79/73/29/584797329.db2.gz BNJGRCZFTBHKMJ-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903768836 584797835 /nfs/dbraw/zinc/79/78/35/584797835.db2.gz SBFJATQAXHIVIA-UONOGXRCSA-N 2 0 249.402 2.662 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000903850420 584808333 /nfs/dbraw/zinc/80/83/33/584808333.db2.gz QIPUFJSCCWQTJB-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000767351301 585517346 /nfs/dbraw/zinc/51/73/46/585517346.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 2 0 248.414 2.739 20 30 BFEDRP CCC(CC)CN[NH+]=Cc1cnccc1N(C)C ZINC000774460282 585659633 /nfs/dbraw/zinc/65/96/33/585659633.db2.gz DYRHMJPBUHRGTA-UHFFFAOYSA-N 2 0 248.374 2.507 20 30 BFEDRP C=CCCCCCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817931557 586842547 /nfs/dbraw/zinc/84/25/47/586842547.db2.gz LQMDMZDYJZUEFC-CYBMUJFWSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817932614 586843339 /nfs/dbraw/zinc/84/33/39/586843339.db2.gz VPLOPFHJPBVPAJ-OLZOCXBDSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817932980 586843429 /nfs/dbraw/zinc/84/34/29/586843429.db2.gz YSVMNHGZNILGOX-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)cc1 ZINC000843342511 588101639 /nfs/dbraw/zinc/10/16/39/588101639.db2.gz RHMKZTLWINFKTC-CYBMUJFWSA-N 2 0 245.370 2.728 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251092 590008209 /nfs/dbraw/zinc/00/82/09/590008209.db2.gz SXGBWWWYHPSVJI-MCIONIFRSA-N 2 0 224.392 2.838 20 30 BFEDRP C#CCCCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000876890172 590254486 /nfs/dbraw/zinc/25/44/86/590254486.db2.gz VXKKHUUMESVALJ-UHFFFAOYSA-N 2 0 236.403 2.644 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000877026556 590271035 /nfs/dbraw/zinc/27/10/35/590271035.db2.gz BYSWBWXINRAGFV-OAHLLOKOSA-N 2 0 236.403 2.502 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073817 590278445 /nfs/dbraw/zinc/27/84/45/590278445.db2.gz SPKOTPSUATXAQN-NEXFUWMNSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149350 590506174 /nfs/dbraw/zinc/50/61/74/590506174.db2.gz WHNVUELNVTWUSW-KGLIPLIRSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878157123 590508940 /nfs/dbraw/zinc/50/89/40/590508940.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 2 0 236.403 2.615 20 30 BFEDRP C#CCCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879208570 590715401 /nfs/dbraw/zinc/71/54/01/590715401.db2.gz AWUMBWMASGRMMD-UHFFFAOYSA-N 2 0 248.414 2.740 20 30 BFEDRP C=CCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473146 591053102 /nfs/dbraw/zinc/05/31/02/591053102.db2.gz QMENBJNTZCBISL-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925774834 635240009 /nfs/dbraw/zinc/24/00/09/635240009.db2.gz AADBCVXJEBPRIL-NEPJUHHUSA-N 2 0 246.345 2.566 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802070 635349945 /nfs/dbraw/zinc/34/99/45/635349945.db2.gz DHOKMJXNHLMACP-RBSFLKMASA-N 2 0 238.419 2.957 20 30 BFEDRP C#CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000931620168 640287617 /nfs/dbraw/zinc/28/76/17/640287617.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 0 248.414 2.739 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164668581 640494697 /nfs/dbraw/zinc/49/46/97/640494697.db2.gz NLAUCWSWXOTRPO-UONOGXRCSA-N 2 0 226.408 2.874 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1CCC[N@H+]1CC[C@H]1CC=C ZINC000934461059 641154352 /nfs/dbraw/zinc/15/43/52/641154352.db2.gz PGRKVOQIEFWPIT-HUUCEWRRSA-N 2 0 234.387 2.677 20 30 BFEDRP C=CC[C@H]1CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000934469788 641163983 /nfs/dbraw/zinc/16/39/83/641163983.db2.gz GQSROVFAJRABKW-KBPBESRZSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CCCC[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000934646085 641231927 /nfs/dbraw/zinc/23/19/27/641231927.db2.gz HTQUEEZHOOGIPQ-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP CCCCCCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459784 644435945 /nfs/dbraw/zinc/43/59/45/644435945.db2.gz GECWASIEURYRFV-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000817980306 644993337 /nfs/dbraw/zinc/99/33/37/644993337.db2.gz UBHFJQZRYOAQKO-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=C(C)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925680049 646407781 /nfs/dbraw/zinc/40/77/81/646407781.db2.gz GSDAXPLLHOPRDI-CABCVRRESA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925793787 646485514 /nfs/dbraw/zinc/48/55/14/646485514.db2.gz BEWLSDOIEGLQEW-YUELXQCFSA-N 2 0 236.403 2.566 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925829697 646499794 /nfs/dbraw/zinc/49/97/94/646499794.db2.gz AUSCOOJMMUJNKT-UKRRQHHQSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844602 646507717 /nfs/dbraw/zinc/50/77/17/646507717.db2.gz VOXIWJZURCQPFP-KBUPBQIOSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926351714 646623585 /nfs/dbraw/zinc/62/35/85/646623585.db2.gz SBCFOOCTVRPIRO-RRFJBIMHSA-N 2 0 236.403 2.948 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000703718754 712084460 /nfs/dbraw/zinc/08/44/60/712084460.db2.gz XRVQRMKYSVSYIL-RBSFLKMASA-N 2 0 238.419 2.935 20 30 BFEDRP C=CCCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000398073624 711400931 /nfs/dbraw/zinc/40/09/31/711400931.db2.gz NNESIJKXKSNCEU-ZDUSSCGKSA-N 2 0 224.392 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000724570711 710742173 /nfs/dbraw/zinc/74/21/73/710742173.db2.gz GRGJDDMLSDWFRB-HOTGVXAUSA-N 2 0 248.414 2.949 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000724565979 710742196 /nfs/dbraw/zinc/74/21/96/710742196.db2.gz JIWLMLQUQUAGRU-DZGCQCFKSA-N 2 0 236.403 2.805 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000703718874 712084196 /nfs/dbraw/zinc/08/41/96/712084196.db2.gz ZMZJOJIPXDXBRA-CHWSQXEVSA-N 2 0 212.381 2.544 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000703717481 712084283 /nfs/dbraw/zinc/08/42/83/712084283.db2.gz NPHHAQFVPUDIEI-UONOGXRCSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000703717818 712084355 /nfs/dbraw/zinc/08/43/55/712084355.db2.gz PEDVIQPMCAIWMB-NWDGAFQWSA-N 2 0 212.381 2.672 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000703726125 712085968 /nfs/dbraw/zinc/08/59/68/712085968.db2.gz CYJKKPSKKWLXMC-QWHCGFSZSA-N 2 0 212.381 2.674 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000703727435 712085861 /nfs/dbraw/zinc/08/58/61/712085861.db2.gz NCEAJCNRYXBOHD-OLZOCXBDSA-N 2 0 212.381 2.816 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000703726127 712085937 /nfs/dbraw/zinc/08/59/37/712085937.db2.gz CYJKKPSKKWLXMC-STQMWFEESA-N 2 0 212.381 2.674 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000703728819 712371463 /nfs/dbraw/zinc/37/14/63/712371463.db2.gz UNJDLRSQGZGSTO-CYBMUJFWSA-N 2 0 212.381 2.689 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000715053345 712505192 /nfs/dbraw/zinc/50/51/92/712505192.db2.gz LYCKEDFWXJDXRO-DZGCQCFKSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405217649 959417245 /nfs/dbraw/zinc/41/72/45/959417245.db2.gz KXDOQQDVQVAMLR-KGLIPLIRSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCCCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763408 963376607 /nfs/dbraw/zinc/37/66/07/963376607.db2.gz JDVWGZIPSDYZHA-CQSZACIVSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCCC[N@@H+](C)CCC[NH+](C)C ZINC000347489906 968277600 /nfs/dbraw/zinc/27/76/00/968277600.db2.gz UFPZEKBNOQJWEI-UHFFFAOYSA-N 2 0 212.381 2.616 20 30 BFEDRP C=CCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001209200665 969384984 /nfs/dbraw/zinc/38/49/84/969384984.db2.gz FNHPSBZGBXBQBS-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209432443 969505066 /nfs/dbraw/zinc/50/50/66/969505066.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 0 236.403 2.759 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172489297 974834774 /nfs/dbraw/zinc/83/47/74/974834774.db2.gz QAHQWLYXANTIRD-HZSPNIEDSA-N 2 0 237.391 2.531 20 30 BFEDRP C=CCN(CC=C)C1CC[NH+](C(C)C)CC1 ZINC001257217751 971132943 /nfs/dbraw/zinc/13/29/43/971132943.db2.gz OJLJNVLBYLNQKL-UHFFFAOYSA-N 2 0 222.376 2.533 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246089079 972143199 /nfs/dbraw/zinc/14/31/99/972143199.db2.gz OPCUYOAWSMHZPE-HAXBKTOASA-N 2 0 248.414 2.981 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220455 972220202 /nfs/dbraw/zinc/22/02/02/972220202.db2.gz JUGAKWINQLUTKE-XGUBFFRZSA-N 2 0 238.419 2.933 20 30 BFEDRP CCCCCCCCC[NH+]1CC(C[NH3+])C1 ZINC000091487452 958302098 /nfs/dbraw/zinc/30/20/98/958302098.db2.gz FYDMTAVOKNVXSG-UHFFFAOYSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237728 972420149 /nfs/dbraw/zinc/42/01/49/972420149.db2.gz RBZSCVCJLWZQFH-AWEZNQCLSA-N 2 0 222.376 2.561 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925635720 960486849 /nfs/dbraw/zinc/48/68/49/960486849.db2.gz OKNMSSQAIDKIGC-QWHCGFSZSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC001204655118 967117366 /nfs/dbraw/zinc/11/73/66/967117366.db2.gz UAQUDWRGXLTIDV-UHFFFAOYSA-N 2 0 224.392 2.808 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938126 967246985 /nfs/dbraw/zinc/24/69/85/967246985.db2.gz JCAMDVUAAUAGOV-ZDUSSCGKSA-N 2 0 212.381 2.770 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001205025617 967298074 /nfs/dbraw/zinc/29/80/74/967298074.db2.gz ABVBCBJNUPUGOB-MRXNPFEDSA-N 2 0 248.414 2.960 20 30 BFEDRP C=CCCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541903 968369294 /nfs/dbraw/zinc/36/92/94/968369294.db2.gz NCPWTZRKUFXPIF-AWEZNQCLSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CCCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541904 968369473 /nfs/dbraw/zinc/36/94/73/968369473.db2.gz NCPWTZRKUFXPIF-CQSZACIVSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000821989786 968503316 /nfs/dbraw/zinc/50/33/16/968503316.db2.gz ZIWPGCFKOKJNNZ-BARDWOONSA-N 2 0 248.414 2.981 20 30 BFEDRP C=CCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207399846 968751624 /nfs/dbraw/zinc/75/16/24/968751624.db2.gz WITQTJQKXYRIOM-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)C[N@@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144126 969459900 /nfs/dbraw/zinc/45/99/00/969459900.db2.gz JDJZJYDAWLPUHS-BTTYYORXSA-N 2 0 222.376 2.510 20 30 BFEDRP CC[C@@H](CC#N)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160856 969969992 /nfs/dbraw/zinc/96/99/92/969969992.db2.gz RAFPODVCZBDRKR-KKUMJFAQSA-N 2 0 249.402 2.661 20 30 BFEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574690 972870637 /nfs/dbraw/zinc/87/06/37/972870637.db2.gz IQKFCLACVXGDDS-UONOGXRCSA-N 2 0 237.391 2.520 20 30 BFEDRP C[NH+]1C(C)(C)CC([NH2+]C2CC(C#N)C2)CC1(C)C ZINC001171631017 974107980 /nfs/dbraw/zinc/10/79/80/974107980.db2.gz UFGGVUSKKFFGMD-UHFFFAOYSA-N 2 0 249.402 2.530 20 30 BFEDRP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099935 974344917 /nfs/dbraw/zinc/34/49/17/974344917.db2.gz KUZAVNOYDDKNSK-QDMKHBRRSA-N 2 0 248.414 2.783 20 30 BFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104342 974368424 /nfs/dbraw/zinc/36/84/24/974368424.db2.gz BPFHIGZQXAGEHJ-ZSOGYDGISA-N 2 0 222.376 2.558 20 30 BFEDRP CCC[N@H+](CCC[NH+](C)C)[C@@H](C)CCCC#N ZINC001172509651 974862553 /nfs/dbraw/zinc/86/25/53/974862553.db2.gz NIFRJVNFLBZIEE-AWEZNQCLSA-N 2 0 239.407 2.732 20 30 BFEDRP C=C(C)[C@@H]1CC=C(CN2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235005560 978951639 /nfs/dbraw/zinc/95/16/39/978951639.db2.gz HZADGUUMTRMEGN-OWCLPIDISA-N 2 0 246.398 2.583 20 30 BFEDRP C=CCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232093 979000866 /nfs/dbraw/zinc/00/08/66/979000866.db2.gz GZMBIIDXYRGUJC-OAHLLOKOSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCN(Cc1ccccc1)C[C@H]([NH3+])CC ZINC001235701937 979129388 /nfs/dbraw/zinc/12/93/88/979129388.db2.gz DYRVHKIMJNCQKF-OAHLLOKOSA-N 2 0 232.371 2.802 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893961 979186459 /nfs/dbraw/zinc/18/64/59/979186459.db2.gz YVGQUBMJEBIYNH-KGLIPLIRSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235978857 979233056 /nfs/dbraw/zinc/23/30/56/979233056.db2.gz KRBPRIIODVQPFI-HUUCEWRRSA-N 2 0 236.403 2.936 20 30 BFEDRP C=CCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236413092 979586449 /nfs/dbraw/zinc/58/64/49/979586449.db2.gz AUZHAQINAKDCRV-ZIAGYGMSSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602753 981167658 /nfs/dbraw/zinc/16/76/58/981167658.db2.gz MESLOUNBGLMCGY-KGLIPLIRSA-N 2 0 224.392 2.650 20 30 BFEDRP C#CCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213610 983806524 /nfs/dbraw/zinc/80/65/24/983806524.db2.gz XHCROWQOQTXCJN-UHFFFAOYSA-N 2 0 244.382 2.593 20 30 BFEDRP C=CCCCC[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001274975207 984431992 /nfs/dbraw/zinc/43/19/92/984431992.db2.gz YWIDLUWBQUTIGM-CABCVRRESA-N 2 0 236.403 2.997 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[NH2+]CC3)C[C@H](C1)C2 ZINC001246099938 987420302 /nfs/dbraw/zinc/42/03/02/987420302.db2.gz ZJHNBLBGDPUJRR-IUOOZAAYSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246149091 987498469 /nfs/dbraw/zinc/49/84/69/987498469.db2.gz QRYCCDNEVXXQIT-MQYQWHSLSA-N 2 0 224.392 2.543 20 30 BFEDRP C#CCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716911 987540181 /nfs/dbraw/zinc/54/01/81/987540181.db2.gz NFVIUSZUOJMHMC-MRXNPFEDSA-N 2 0 248.414 2.596 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001246189036 987573209 /nfs/dbraw/zinc/57/32/09/987573209.db2.gz LOVTXFZFLPXDLH-UPJWGTAASA-N 2 0 212.381 2.815 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001246189031 987573569 /nfs/dbraw/zinc/57/35/69/987573569.db2.gz LOVTXFZFLPXDLH-JHJVBQTASA-N 2 0 212.381 2.815 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001246275616 987670393 /nfs/dbraw/zinc/67/03/93/987670393.db2.gz BCNBEDFESXAULN-FIBILERRSA-N 2 0 234.387 2.591 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001246324363 987723430 /nfs/dbraw/zinc/72/34/30/987723430.db2.gz KOJLLHRVHVFLCU-STQMWFEESA-N 2 0 214.397 2.920 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]([NH3+])C(C)C)C[C@H](C1)C2 ZINC001246333942 987743477 /nfs/dbraw/zinc/74/34/77/987743477.db2.gz SEDLUSLSJQOTJF-IZGVIRRGSA-N 2 0 236.403 2.694 20 30 BFEDRP C=C1C[C@@H]2CC([NH+]3CCC(C[NH3+])CC3)C[C@H](C1)C2 ZINC001246540624 987900466 /nfs/dbraw/zinc/90/04/66/987900466.db2.gz WIVVSUOAXCHHQG-XYPWUTKMSA-N 2 0 248.414 2.792 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644046 988357701 /nfs/dbraw/zinc/35/77/01/988357701.db2.gz PCSQRWPFFPLSCQ-KBPBESRZSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CC[N@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC001246944012 988782293 /nfs/dbraw/zinc/78/22/93/988782293.db2.gz AHBMCXLFZKQOPR-UHFFFAOYSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246948497 988787945 /nfs/dbraw/zinc/78/79/45/988787945.db2.gz KKIPNBNIHMXCCE-HIFRSBDPSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCCCC[NH+](C)C ZINC001258717422 991644819 /nfs/dbraw/zinc/64/48/19/991644819.db2.gz NZFCFVDFXAUGED-CYBMUJFWSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCCCC[NH+](C)C ZINC001258717423 991645554 /nfs/dbraw/zinc/64/55/54/991645554.db2.gz NZFCFVDFXAUGED-ZDUSSCGKSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CCC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001258732431 991676194 /nfs/dbraw/zinc/67/61/94/991676194.db2.gz LLQXFTGGIFCZIL-ZDUSSCGKSA-N 2 0 236.403 2.900 20 30 BFEDRP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001258734314 991680055 /nfs/dbraw/zinc/68/00/55/991680055.db2.gz WMYJLCRCXJTFKI-SOUVJXGZSA-N 2 0 236.403 2.615 20 30 BFEDRP C=CCC[C@H](C)[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001258734313 991680134 /nfs/dbraw/zinc/68/01/34/991680134.db2.gz WMYJLCRCXJTFKI-RRFJBIMHSA-N 2 0 236.403 2.615 20 30 BFEDRP C=CCCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574907717 992941885 /nfs/dbraw/zinc/94/18/85/992941885.db2.gz YVYRXKQICBOOIT-OAHLLOKOSA-N 2 0 236.403 2.808 20 30 BFEDRP CC(C)(C#N)CCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001575083445 992985015 /nfs/dbraw/zinc/98/50/15/992985015.db2.gz XXWQUZHNRPGWDC-CHWSQXEVSA-N 2 0 237.391 2.566 20 30 BFEDRP CCCCCCC[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000382755361 993467880 /nfs/dbraw/zinc/46/78/80/993467880.db2.gz MLOMZPLMLDLUAI-CYBMUJFWSA-N 2 0 212.381 2.641 20 30 BFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC000156968020 136213696 /nfs/dbraw/zinc/21/36/96/136213696.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 2 0 236.403 2.925 20 30 BFEDRP C=C(C)C[N@@H+](C)[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC000156967847 136213723 /nfs/dbraw/zinc/21/37/23/136213723.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 2 0 236.403 2.925 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571088182 398178778 /nfs/dbraw/zinc/17/87/78/398178778.db2.gz QMVHZSDIGLDPIW-CHWSQXEVSA-N 2 0 232.371 2.836 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344290823 365676255 /nfs/dbraw/zinc/67/62/55/365676255.db2.gz CVQGVIJZTAGCAX-SOUVJXGZSA-N 2 0 236.403 2.948 20 30 BFEDRP CCCN1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602655894 349661979 /nfs/dbraw/zinc/66/19/79/349661979.db2.gz RAMQUJVZEQHEJA-NRXISQOPSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(CC)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000313489392 259335702 /nfs/dbraw/zinc/33/57/02/259335702.db2.gz RUGRIOHXBUSXBU-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=C(C)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000351857117 136258812 /nfs/dbraw/zinc/25/88/12/136258812.db2.gz SSTWWHFJRNWNBN-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP CC[N@H+](CCC[NH+](C)C)CC(C)(C)CCC#N ZINC000349383323 136343985 /nfs/dbraw/zinc/34/39/85/136343985.db2.gz LRJHXRJKJNHMPP-UHFFFAOYSA-N 2 0 239.407 2.590 20 30 BFEDRP CC1(C)CC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885688 136358035 /nfs/dbraw/zinc/35/80/35/136358035.db2.gz MZTXJANNCRHYTN-VXGBXAGGSA-N 2 0 249.402 2.577 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005799 345209693 /nfs/dbraw/zinc/20/96/93/345209693.db2.gz KDABESOVUUDKOH-GOEBONIOSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013505 345218306 /nfs/dbraw/zinc/21/83/06/345218306.db2.gz YSAYYQZJOANZHH-MELADBBJSA-N 2 0 238.419 2.955 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253193458 535007392 /nfs/dbraw/zinc/00/73/92/535007392.db2.gz OPNWZQGDZXMODN-KGLIPLIRSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000381574903 346377344 /nfs/dbraw/zinc/37/73/44/346377344.db2.gz ZJSONCUSNNVOBR-KBPBESRZSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000309620030 347124468 /nfs/dbraw/zinc/12/44/68/347124468.db2.gz DAHOJKDMXYBVIV-ZDUSSCGKSA-N 2 0 224.392 2.804 20 30 BFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000596653393 348606686 /nfs/dbraw/zinc/60/66/86/348606686.db2.gz KIDJBIJEIGXFME-SWLSCSKDSA-N 2 0 245.370 2.582 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513132 362940002 /nfs/dbraw/zinc/94/00/02/362940002.db2.gz JSUDYWVPZMWTHI-CHWSQXEVSA-N 2 0 224.392 2.804 20 30 BFEDRP CC#CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120350704 349315059 /nfs/dbraw/zinc/31/50/59/349315059.db2.gz QJWHZEYLACMFKY-INIZCTEOSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000336713035 351081835 /nfs/dbraw/zinc/08/18/35/351081835.db2.gz OCJPDDHISVDASY-KFWWJZLASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000126867373 353254226 /nfs/dbraw/zinc/25/42/26/353254226.db2.gz STEYIIFECGGHAM-ZDUSSCGKSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CCCC[N@@H+](C)Cc1cccc2nccn21 ZINC000180343002 353392771 /nfs/dbraw/zinc/39/27/71/353392771.db2.gz AWKKPPNPNPPFIO-UHFFFAOYSA-N 2 0 229.327 2.732 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971330 353576085 /nfs/dbraw/zinc/57/60/85/353576085.db2.gz XOCSZJFOUDOUKR-HIFRSBDPSA-N 2 0 249.402 2.531 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971300 353576190 /nfs/dbraw/zinc/57/61/90/353576190.db2.gz XOCSZJFOUDOUKR-ZFWWWQNUSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420307990 192211041 /nfs/dbraw/zinc/21/10/41/192211041.db2.gz RUAPQOTVVZMAGD-CQSZACIVSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300225636 356487777 /nfs/dbraw/zinc/48/77/77/356487777.db2.gz TXJUOVGKRNMXET-KGLIPLIRSA-N 2 0 224.392 2.805 20 30 BFEDRP C=C(C)CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684139 356600746 /nfs/dbraw/zinc/60/07/46/356600746.db2.gz RREBKCPZABIQFY-UHFFFAOYSA-N 2 0 245.370 2.560 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361441319 134205499 /nfs/dbraw/zinc/20/54/99/134205499.db2.gz UZOOFFLRDAONPL-HIFRSBDPSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982434 358025352 /nfs/dbraw/zinc/02/53/52/358025352.db2.gz PNWRBIPSPDWTJD-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCC[C@H]([NH2+]CCCC[NH3+])c1ccco1 ZINC000423319899 192703968 /nfs/dbraw/zinc/70/39/68/192703968.db2.gz FOOOKHGIVZKWEU-LBPRGKRZSA-N 2 0 222.332 2.615 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423380834 192757604 /nfs/dbraw/zinc/75/76/04/192757604.db2.gz YTQQHSZYCGBHAR-MJBXVCDLSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H](C)CCCC[NH3+] ZINC000423433776 192767720 /nfs/dbraw/zinc/76/77/20/192767720.db2.gz NLYIPUOTZDIEFA-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000575072304 361275495 /nfs/dbraw/zinc/27/54/95/361275495.db2.gz XIXPVAQVZNPVJN-KBPBESRZSA-N 2 0 236.403 2.982 20 30 BFEDRP CC1(C)CC[C@H]1[NH2+]CC#CC[NH2+][C@@H]1CCC1(C)C ZINC000575427015 365316120 /nfs/dbraw/zinc/31/61/20/365316120.db2.gz GYXBDABRQCFSTN-ZIAGYGMSSA-N 2 0 248.414 2.546 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000385016252 367772838 /nfs/dbraw/zinc/77/28/38/367772838.db2.gz YYTNYIBUDFHXQV-ZIAGYGMSSA-N 2 0 230.355 2.933 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384875308 367747708 /nfs/dbraw/zinc/74/77/08/367747708.db2.gz RYUNJVFOCMSCCJ-RWMBFGLXSA-N 2 0 224.392 2.517 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000386677385 368010387 /nfs/dbraw/zinc/01/03/87/368010387.db2.gz HLSBSMSDNUXYAB-UONOGXRCSA-N 2 0 216.328 2.687 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459727049 203341767 /nfs/dbraw/zinc/34/17/67/203341767.db2.gz HBMMQCUBPSFTCG-ZNMIVQPWSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459727047 203342405 /nfs/dbraw/zinc/34/24/05/203342405.db2.gz HBMMQCUBPSFTCG-SOUVJXGZSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000624038283 371264161 /nfs/dbraw/zinc/26/41/61/371264161.db2.gz ZYVHTHKDSZTNMU-ZDUSSCGKSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120987 371321588 /nfs/dbraw/zinc/32/15/88/371321588.db2.gz LHCSIISYCBCXGD-RRFJBIMHSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122206 371323590 /nfs/dbraw/zinc/32/35/90/371323590.db2.gz MERPKMSJODHBGS-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643547851 384038936 /nfs/dbraw/zinc/03/89/36/384038936.db2.gz JTHHNQRRLGGHIS-CABCVRRESA-N 2 0 248.414 2.996 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000309521292 384454040 /nfs/dbraw/zinc/45/40/40/384454040.db2.gz AOLYQOXINOZUAZ-STQMWFEESA-N 2 0 224.392 2.661 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449446621 384547547 /nfs/dbraw/zinc/54/75/47/384547547.db2.gz SHACBUYEXTZHQJ-ZFWWWQNUSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000041626178 384728557 /nfs/dbraw/zinc/72/85/57/384728557.db2.gz UTVJGTZEMFBTAE-UHFFFAOYSA-N 2 0 244.382 2.817 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423376935 384848403 /nfs/dbraw/zinc/84/84/03/384848403.db2.gz JKOFELMWHDDURV-RWMBFGLXSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423376933 384849044 /nfs/dbraw/zinc/84/90/44/384849044.db2.gz JKOFELMWHDDURV-AVGNSLFASA-N 2 0 210.365 2.591 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449484583 385186309 /nfs/dbraw/zinc/18/63/09/385186309.db2.gz IBTPWVDUCUMHQD-CHWSQXEVSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000178673017 385316421 /nfs/dbraw/zinc/31/64/21/385316421.db2.gz ZADPWOADSASZKK-OAHLLOKOSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000178673006 385316597 /nfs/dbraw/zinc/31/65/97/385316597.db2.gz ZADPWOADSASZKK-HNNXBMFYSA-N 2 0 236.403 2.807 20 30 BFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000335059666 385961885 /nfs/dbraw/zinc/96/18/85/385961885.db2.gz MLWIYRZDLXWJDK-ZIAGYGMSSA-N 2 0 249.402 2.710 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423324828 387168172 /nfs/dbraw/zinc/16/81/72/387168172.db2.gz JCDMGVFBVQAGRV-GFCCVEGCSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337948 387185235 /nfs/dbraw/zinc/18/52/35/387185235.db2.gz UNUPZAUQXUMOOC-MJBXVCDLSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423353389 387205414 /nfs/dbraw/zinc/20/54/14/387205414.db2.gz CZPSBXACOSJMDZ-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000423348263 387196805 /nfs/dbraw/zinc/19/68/05/387196805.db2.gz SUHCHSUFMOLBKI-CABCVRRESA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427556 387252440 /nfs/dbraw/zinc/25/24/40/387252440.db2.gz FXJNPSLDWBOIAK-QLFBSQMISA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423390929 387277290 /nfs/dbraw/zinc/27/72/90/387277290.db2.gz WMXXIINNCJLNEQ-MJBXVCDLSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431810 387284562 /nfs/dbraw/zinc/28/45/62/387284562.db2.gz VONCWUHUMGHSFU-XGUBFFRZSA-N 2 0 238.419 2.942 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000423475003 387321759 /nfs/dbraw/zinc/32/17/59/387321759.db2.gz PPCMXELQNMIKRT-CFVMTHIKSA-N 2 0 236.403 2.838 20 30 BFEDRP C=C(C)C[NH+]1CCC(Nc2cccc(C)n2)CC1 ZINC000265457518 387397836 /nfs/dbraw/zinc/39/78/36/387397836.db2.gz DPZOXCIPRLCWDI-UHFFFAOYSA-N 2 0 245.370 2.842 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527927996 387792867 /nfs/dbraw/zinc/79/28/67/387792867.db2.gz SPEJQLFNXONKSW-UONOGXRCSA-N 2 0 238.419 2.909 20 30 BFEDRP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442781917 387839480 /nfs/dbraw/zinc/83/94/80/387839480.db2.gz OXTUWYGOVJIDDR-RRFJBIMHSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534333 387852566 /nfs/dbraw/zinc/85/25/66/387852566.db2.gz RHHZTUBTNCGTEM-KGLIPLIRSA-N 2 0 236.403 2.853 20 30 BFEDRP CC(C)(CCC#N)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423122203 387902746 /nfs/dbraw/zinc/90/27/46/387902746.db2.gz JOOQEVJVILGVHV-STQMWFEESA-N 2 0 237.391 2.566 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000423152923 387932249 /nfs/dbraw/zinc/93/22/49/387932249.db2.gz GMFJPPJRYPVQGN-OLZOCXBDSA-N 2 0 222.376 2.592 20 30 BFEDRP C=C(CC)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423154552 387934009 /nfs/dbraw/zinc/93/40/09/387934009.db2.gz JQGDDUSJAJZUFN-ZFWWWQNUSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000423166649 387949817 /nfs/dbraw/zinc/94/98/17/387949817.db2.gz VOBDOFLPCOKGPH-OLZOCXBDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423177687 387964632 /nfs/dbraw/zinc/96/46/32/387964632.db2.gz HMKWCAGRRPUSCP-HOCLYGCPSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372466 387997204 /nfs/dbraw/zinc/99/72/04/387997204.db2.gz HUXMUWGMYKBMNL-YNEHKIRRSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260993 388040193 /nfs/dbraw/zinc/04/01/93/388040193.db2.gz RDLOAHYEIRLJFO-BFHYXJOUSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H]([NH2+]CC([NH3+])(CC)CC)C1CC1 ZINC000423287643 388073610 /nfs/dbraw/zinc/07/36/10/388073610.db2.gz NSLCKNWWYYIRHN-ZDUSSCGKSA-N 2 0 224.392 2.838 20 30 BFEDRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000453401485 388074067 /nfs/dbraw/zinc/07/40/67/388074067.db2.gz MXAZFFCHCBQLFM-KBPBESRZSA-N 2 0 249.402 2.533 20 30 BFEDRP CCC([NH3+])(CC)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423291625 388076448 /nfs/dbraw/zinc/07/64/48/388076448.db2.gz JAFZMZMIHKLAMH-UHFFFAOYSA-N 2 0 237.391 2.566 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423270521 388049456 /nfs/dbraw/zinc/04/94/56/388049456.db2.gz GNEZNAPVBOSDAY-FQUUOJAGSA-N 2 0 224.392 2.694 20 30 BFEDRP C=C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000489484732 388216918 /nfs/dbraw/zinc/21/69/18/388216918.db2.gz XOTHMGNMKZEFPI-KGLIPLIRSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000530213021 388627979 /nfs/dbraw/zinc/62/79/79/388627979.db2.gz SUYWZPXQEGTHBB-OLZOCXBDSA-N 2 0 224.392 2.566 20 30 BFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423003430 388687057 /nfs/dbraw/zinc/68/70/57/388687057.db2.gz HUUVDYKHNCRQKJ-OLZOCXBDSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554883056 388834733 /nfs/dbraw/zinc/83/47/33/388834733.db2.gz TYLGLPYNFDKUBT-ZNMIVQPWSA-N 2 0 238.419 2.907 20 30 BFEDRP C=C(C)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000352016138 533485259 /nfs/dbraw/zinc/48/52/59/533485259.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000352016618 533485699 /nfs/dbraw/zinc/48/56/99/533485699.db2.gz YOPCLZSZUGBOKB-ZIAGYGMSSA-N 2 0 224.392 2.757 20 30 BFEDRP C#CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000374429713 134236830 /nfs/dbraw/zinc/23/68/30/134236830.db2.gz PWUSGXIHNPSUHB-HZPDHXFCSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CCCCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178974030 134313229 /nfs/dbraw/zinc/31/32/29/134313229.db2.gz JQMQXDQQQDUOFT-UHFFFAOYSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CC[NH+](C)Cc1cccc(C[N@H+](C)CC=C)c1 ZINC000121393333 135224368 /nfs/dbraw/zinc/22/43/68/135224368.db2.gz GGKPREDZYGLZDD-UHFFFAOYSA-N 2 0 244.382 2.922 20 30 BFEDRP Cc1ccncc1CCC[NH2+]CC1(C#N)CCC1 ZINC000418139595 397989504 /nfs/dbraw/zinc/98/95/04/397989504.db2.gz HRLMNGWTHJOBQY-UHFFFAOYSA-N 2 0 243.354 2.606 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCCNCc1cccnc1 ZINC000414875125 398078161 /nfs/dbraw/zinc/07/81/61/398078161.db2.gz IPNWBYXHKYTKHM-AWEZNQCLSA-N 2 0 247.386 2.506 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000651967540 409806946 /nfs/dbraw/zinc/80/69/46/409806946.db2.gz JUTVVGDAYVSNBI-MGPQQGTHSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000650763423 410414566 /nfs/dbraw/zinc/41/45/66/410414566.db2.gz ZWHAOLMPJLWVNO-HNNXBMFYSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000271883934 166301960 /nfs/dbraw/zinc/30/19/60/166301960.db2.gz QFFPEPHWMCOOKT-HNNXBMFYSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281012 410757463 /nfs/dbraw/zinc/75/74/63/410757463.db2.gz RNJHNIDYGLLTGD-QWHCGFSZSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000651678543 411135114 /nfs/dbraw/zinc/13/51/14/411135114.db2.gz TVKFUBAXDPETRO-UGUYLWEFSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000651706113 411137183 /nfs/dbraw/zinc/13/71/83/411137183.db2.gz SVCDMIZRRYBPJP-MGPQQGTHSA-N 2 0 234.387 2.558 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000651709184 411137707 /nfs/dbraw/zinc/13/77/07/411137707.db2.gz NGOHYVWIQFCZFL-KFWWJZLASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000651749795 411140751 /nfs/dbraw/zinc/14/07/51/411140751.db2.gz KEAZHWVJINJFGZ-CABCVRRESA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865719 411147751 /nfs/dbraw/zinc/14/77/51/411147751.db2.gz FSBJVTGXLPAMGP-AWEZNQCLSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000656787210 411366485 /nfs/dbraw/zinc/36/64/85/411366485.db2.gz GZGRAJRBLHKPRI-ZNMIVQPWSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC1([NH2+]CC[NH2+]C(C)(C)C)CCCC1 ZINC000656791493 411371111 /nfs/dbraw/zinc/37/11/11/411371111.db2.gz HXJJCDKHDQTIAU-UHFFFAOYSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805601 411520304 /nfs/dbraw/zinc/52/03/04/411520304.db2.gz JJGBKMPZLUYSQO-MCIONIFRSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655806002 411520574 /nfs/dbraw/zinc/52/05/74/411520574.db2.gz WIAWJTUAQRYQSO-CFVMTHIKSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000657814852 411604066 /nfs/dbraw/zinc/60/40/66/411604066.db2.gz ADBGFCSYRWUEHV-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCC(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000663507286 411689363 /nfs/dbraw/zinc/68/93/63/411689363.db2.gz NJRFQRCZJJRQHH-UHFFFAOYSA-N 2 0 212.381 2.709 20 30 BFEDRP CC[C@H]([NH2+]CC#CC[NH2+][C@@H](CC)C1CC1)C1CC1 ZINC000661763044 411873231 /nfs/dbraw/zinc/87/32/31/411873231.db2.gz ZYKVTUAYBYLXTO-HOTGVXAUSA-N 2 0 248.414 2.546 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295556 412083571 /nfs/dbraw/zinc/08/35/71/412083571.db2.gz GSJZAWNYGGNKOS-HNNXBMFYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291387 412078973 /nfs/dbraw/zinc/07/89/73/412078973.db2.gz GISBFJWVULGXMH-HNNXBMFYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230685 412167098 /nfs/dbraw/zinc/16/70/98/412167098.db2.gz UDJAEUVABUCVOA-KBXIAJHMSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665230074 412167424 /nfs/dbraw/zinc/16/74/24/412167424.db2.gz IIBIJFZCHULYLH-DGAVXFQQSA-N 2 0 224.392 2.837 20 30 BFEDRP C=CCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000570132598 323050700 /nfs/dbraw/zinc/05/07/00/323050700.db2.gz LZEYFVHFGNNPNA-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000566778547 326082209 /nfs/dbraw/zinc/08/22/09/326082209.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651680301 491073624 /nfs/dbraw/zinc/07/36/24/491073624.db2.gz FTACHARIYKDZMZ-UGUYLWEFSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651680300 491073632 /nfs/dbraw/zinc/07/36/32/491073632.db2.gz FTACHARIYKDZMZ-QXSJWSMHSA-N 2 0 248.414 2.948 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000310025678 491160293 /nfs/dbraw/zinc/16/02/93/491160293.db2.gz PFYVTTMONXIJEP-GXTWGEPZSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341448799 534360301 /nfs/dbraw/zinc/36/03/01/534360301.db2.gz DHBNFECZOGVAMM-BYNSBNAKSA-N 2 0 236.403 2.804 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261556163 534553553 /nfs/dbraw/zinc/55/35/53/534553553.db2.gz QLWYNVOHAHABPZ-CHWSQXEVSA-N 2 0 224.392 2.696 20 30 BFEDRP C=C(C)C[NH+](C)CC(C)C[N@H+](C)CC(=C)C ZINC000481287582 526503090 /nfs/dbraw/zinc/50/30/90/526503090.db2.gz QIYAKCJXMDOVHY-UHFFFAOYSA-N 2 0 224.392 2.638 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000112706151 588813194 /nfs/dbraw/zinc/81/31/94/588813194.db2.gz CXUKYJPNTVCBSP-AWEZNQCLSA-N 2 0 226.408 2.888 20 30 BFEDRP C#CCC1([NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000897336469 583924929 /nfs/dbraw/zinc/92/49/29/583924929.db2.gz GTGFNYNAIVTHPX-UHFFFAOYSA-N 2 0 248.414 2.644 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388312 584579838 /nfs/dbraw/zinc/57/98/38/584579838.db2.gz OTTOMGBUGAIDFA-LBPRGKRZSA-N 2 0 224.392 2.566 20 30 BFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716547 584791793 /nfs/dbraw/zinc/79/17/93/584791793.db2.gz OSSLPZTYKPOBQZ-ZIAGYGMSSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744283 584796913 /nfs/dbraw/zinc/79/69/13/584796913.db2.gz QTYRMZZSZIZMCF-UONOGXRCSA-N 2 0 249.402 2.520 20 30 BFEDRP CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817914283 586839165 /nfs/dbraw/zinc/83/91/65/586839165.db2.gz YAXPQPRFXQCFIU-QWHCGFSZSA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032897 587937305 /nfs/dbraw/zinc/93/73/05/587937305.db2.gz HFVXAZASLNEXEB-CYBMUJFWSA-N 2 0 232.371 2.632 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341860 588100865 /nfs/dbraw/zinc/10/08/65/588100865.db2.gz HVZVOWAZTZZEMN-STQMWFEESA-N 2 0 212.381 2.696 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341857 588100970 /nfs/dbraw/zinc/10/09/70/588100970.db2.gz HVZVOWAZTZZEMN-OLZOCXBDSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341858 588101064 /nfs/dbraw/zinc/10/10/64/588101064.db2.gz HVZVOWAZTZZEMN-QWHCGFSZSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000848716876 588407945 /nfs/dbraw/zinc/40/79/45/588407945.db2.gz KKTNBHRVEYKFJT-ZNMIVQPWSA-N 2 0 245.370 2.558 20 30 BFEDRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000866517776 589499183 /nfs/dbraw/zinc/49/91/83/589499183.db2.gz MPOPXZCHEACOJA-FEWQNLEASA-N 2 0 249.402 2.531 20 30 BFEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000872140819 589881488 /nfs/dbraw/zinc/88/14/88/589881488.db2.gz ZTRKLTNMFWKZDA-SHTZXODSSA-N 2 0 248.414 2.642 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873262860 590014311 /nfs/dbraw/zinc/01/43/11/590014311.db2.gz CMTNMYKMPNBDBR-UKMLZYKCSA-N 2 0 248.414 2.851 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271250 590016324 /nfs/dbraw/zinc/01/63/24/590016324.db2.gz GBNKUHGUUUWCTR-GXTWGEPZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CNCC[C@H]1C ZINC000873280668 590017650 /nfs/dbraw/zinc/01/76/50/590017650.db2.gz USYZINIJUYBLHH-OLZOCXBDSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000873280670 590017792 /nfs/dbraw/zinc/01/77/92/590017792.db2.gz USYZINIJUYBLHH-QWHCGFSZSA-N 2 0 224.392 2.566 20 30 BFEDRP C#CCCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000876595358 590219739 /nfs/dbraw/zinc/21/97/39/590219739.db2.gz FAYSBDKXMFABJK-UHFFFAOYSA-N 2 0 236.403 2.596 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876936229 590258829 /nfs/dbraw/zinc/25/88/29/590258829.db2.gz TUNKGLZLAZVBHO-HOTGVXAUSA-N 2 0 248.414 2.787 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877070151 590277371 /nfs/dbraw/zinc/27/73/71/590277371.db2.gz LMSVBFCKOYDVMW-GJZGRUSLSA-N 2 0 236.403 2.642 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000877095418 590282155 /nfs/dbraw/zinc/28/21/55/590282155.db2.gz YBRLGYBZFPVDMS-GJZGRUSLSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746672 590618141 /nfs/dbraw/zinc/61/81/41/590618141.db2.gz BTRQWEQHAIZWGO-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259051 590978825 /nfs/dbraw/zinc/97/88/25/590978825.db2.gz LHWLOONZIZRNOS-ZIAGYGMSSA-N 2 0 245.370 2.557 20 30 BFEDRP C=C(CC)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134941 592449643 /nfs/dbraw/zinc/44/96/43/592449643.db2.gz SUDPUTHOPANYEZ-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136024 592450575 /nfs/dbraw/zinc/45/05/75/592450575.db2.gz GQYGIZQOTGMQJT-UONOGXRCSA-N 2 0 245.370 2.557 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136023 592451793 /nfs/dbraw/zinc/45/17/93/592451793.db2.gz GQYGIZQOTGMQJT-KGLIPLIRSA-N 2 0 245.370 2.557 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925731934 634570544 /nfs/dbraw/zinc/57/05/44/634570544.db2.gz VYJLDTSXJOFAGE-LXFSFDBISA-N 2 0 248.414 2.565 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000309182937 631924334 /nfs/dbraw/zinc/92/43/34/631924334.db2.gz GBXMKRKNRRXLBN-UONOGXRCSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926682679 632816989 /nfs/dbraw/zinc/81/69/89/632816989.db2.gz DISCTCIYLWNGNM-CYBMUJFWSA-N 2 0 232.371 2.975 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000934469791 641163784 /nfs/dbraw/zinc/16/37/84/641163784.db2.gz GQSROVFAJRABKW-ZIAGYGMSSA-N 2 0 222.376 2.511 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699988 644885419 /nfs/dbraw/zinc/88/54/19/644885419.db2.gz XJAACNCGRNBKDO-CHWSQXEVSA-N 2 0 212.381 2.626 20 30 BFEDRP C=C[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925255100 646220717 /nfs/dbraw/zinc/22/07/17/646220717.db2.gz CIGDGCHLFBVFGU-QWHCGFSZSA-N 2 0 232.371 2.973 20 30 BFEDRP C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925255102 646221246 /nfs/dbraw/zinc/22/12/46/646221246.db2.gz CIGDGCHLFBVFGU-STQMWFEESA-N 2 0 232.371 2.973 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925685011 646411808 /nfs/dbraw/zinc/41/18/08/646411808.db2.gz CIAMUBBYLYMRPL-CQSZACIVSA-N 2 0 248.414 2.997 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925730068 646453961 /nfs/dbraw/zinc/45/39/61/646453961.db2.gz NLBCBOYSXPOORJ-CHWSQXEVSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925730838 646454098 /nfs/dbraw/zinc/45/40/98/646454098.db2.gz QVRJSHWREIWBPG-GFCCVEGCSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CCC(C)(C)[NH3+] ZINC000925742036 646462141 /nfs/dbraw/zinc/46/21/41/646462141.db2.gz ODPMBVBVEDRWKQ-LBPRGKRZSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787112 646482759 /nfs/dbraw/zinc/48/27/59/646482759.db2.gz WSPQPAIDKPVXQD-MGPQQGTHSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703702279 712084240 /nfs/dbraw/zinc/08/42/40/712084240.db2.gz WEOMSQWDGRWKLF-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000715053349 712505312 /nfs/dbraw/zinc/50/53/12/712505312.db2.gz LYCKEDFWXJDXRO-ZFWWWQNUSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000724565981 710741844 /nfs/dbraw/zinc/74/18/44/710741844.db2.gz JIWLMLQUQUAGRU-UKRRQHHQSA-N 2 0 236.403 2.805 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000703717480 712084096 /nfs/dbraw/zinc/08/40/96/712084096.db2.gz NPHHAQFVPUDIEI-KGLIPLIRSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703702281 712084313 /nfs/dbraw/zinc/08/43/13/712084313.db2.gz WEOMSQWDGRWKLF-GJZGRUSLSA-N 2 0 236.403 2.664 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000703718608 712084330 /nfs/dbraw/zinc/08/43/30/712084330.db2.gz WBZOVZCGBNYJBN-STQMWFEESA-N 2 0 212.381 2.687 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000704006599 712095963 /nfs/dbraw/zinc/09/59/63/712095963.db2.gz VJCGUXVMJYYJPL-CHWSQXEVSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000706816171 712156503 /nfs/dbraw/zinc/15/65/03/712156503.db2.gz QSHYVRCFNSDYQF-MQVJKMGUSA-N 2 0 248.414 2.805 20 30 BFEDRP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(S)CC1 ZINC001255964013 970601962 /nfs/dbraw/zinc/60/19/62/970601962.db2.gz NJDMCFOMQFYWQR-GFCCVEGCSA-N 2 0 244.448 2.501 20 30 BFEDRP C=CCCCCCC[NH+]1CCC[NH2+]CCC1 ZINC001236241344 979461325 /nfs/dbraw/zinc/46/13/25/979461325.db2.gz YEFJBXGEKMTQPZ-UHFFFAOYSA-N 2 0 224.392 2.808 20 30 BFEDRP CCCCCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001201798510 983476986 /nfs/dbraw/zinc/47/69/86/983476986.db2.gz WTYVOKJJCJUUQB-HUUCEWRRSA-N 2 0 238.419 2.840 20 30 BFEDRP C=CC[N@@H+](C1C[C@H]2CC[C@@H](C1)N2C)C(C)(C)C ZINC001256631462 970894730 /nfs/dbraw/zinc/89/47/30/970894730.db2.gz WHLLWOBXYGAFEH-PBWFPOADSA-N 2 0 236.403 2.898 20 30 BFEDRP C/C(NC1CCCC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257349453 971261366 /nfs/dbraw/zinc/26/13/66/971261366.db2.gz OHMBGHXKENSQGW-UHFFFAOYSA-N 2 0 245.370 2.596 20 30 BFEDRP CCCCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222527011 972541461 /nfs/dbraw/zinc/54/14/61/972541461.db2.gz HOVWLSFXCVDEKH-UHFFFAOYSA-N 2 0 230.371 2.720 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]CCC1C[NH2+]C1 ZINC001246192553 972215224 /nfs/dbraw/zinc/21/52/24/972215224.db2.gz UBCIFYBBPMEZJA-ZDUSSCGKSA-N 2 0 226.408 2.935 20 30 BFEDRP C=C(C)C[N@@H+](CC)C1CCC([NH+](C)C)CC1 ZINC001168327550 964456062 /nfs/dbraw/zinc/45/60/62/964456062.db2.gz OLNKVRFLTKXLLI-UHFFFAOYSA-N 2 0 224.392 2.757 20 30 BFEDRP CCCCCCCC[NH+]1CC(C)(C[NH3+])C1 ZINC001206712226 966259256 /nfs/dbraw/zinc/25/92/56/966259256.db2.gz XTYXIDGFRUIFRQ-UHFFFAOYSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257939 967450063 /nfs/dbraw/zinc/45/00/63/967450063.db2.gz YUUPVMSDYXQTOS-AWEZNQCLSA-N 2 0 224.392 2.936 20 30 BFEDRP C=CCCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209207210 969393172 /nfs/dbraw/zinc/39/31/72/969393172.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 2 0 222.376 2.511 20 30 BFEDRP C=CCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153335 969463218 /nfs/dbraw/zinc/46/32/18/969463218.db2.gz JDBWBCIXGTZLAQ-FICVDOATSA-N 2 0 236.403 2.900 20 30 BFEDRP C[NH+]1C(C)(C)CC([NH2+]CCCC#N)CC1(C)C ZINC001171623615 974118943 /nfs/dbraw/zinc/11/89/43/974118943.db2.gz DMHVVYLEHSKINR-UHFFFAOYSA-N 2 0 237.391 2.531 20 30 BFEDRP C=CC[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639304 974134851 /nfs/dbraw/zinc/13/48/51/974134851.db2.gz DWCPSRDBRCEVAX-UHFFFAOYSA-N 2 0 224.392 2.756 20 30 BFEDRP C[C@H](CCCC#N)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001172487259 974830606 /nfs/dbraw/zinc/83/06/06/974830606.db2.gz GRSUXKDKVHWODC-CYBMUJFWSA-N 2 0 249.402 2.675 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172489301 974835254 /nfs/dbraw/zinc/83/52/54/974835254.db2.gz QAHQWLYXANTIRD-RDBSUJKOSA-N 2 0 237.391 2.531 20 30 BFEDRP C=C1CCC(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC001332401641 975095980 /nfs/dbraw/zinc/09/59/80/975095980.db2.gz NACOZOQZVRDWFY-UHFFFAOYSA-N 2 0 236.403 2.840 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293155 978293840 /nfs/dbraw/zinc/29/38/40/978293840.db2.gz GNQWTHUSFGWKRB-AWEZNQCLSA-N 2 0 224.392 2.794 20 30 BFEDRP C=CCCCCCCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024869 978954554 /nfs/dbraw/zinc/95/45/54/978954554.db2.gz QVKQJRFTCWGSDS-UHFFFAOYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192664 978993487 /nfs/dbraw/zinc/99/34/87/978993487.db2.gz FSWDIKWQRJMIJF-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256000 979009610 /nfs/dbraw/zinc/00/96/10/979009610.db2.gz DXYWEOBGQYRYKW-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C=CCC[N@@H+](CCC[NH2+]C)Cc1ccccc1 ZINC001235702063 979131921 /nfs/dbraw/zinc/13/19/21/979131921.db2.gz IHQRHOUDQLCAPU-UHFFFAOYSA-N 2 0 232.371 2.674 20 30 BFEDRP CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315224 979529680 /nfs/dbraw/zinc/52/96/80/979529680.db2.gz WOTUACIMMGBMAV-GASCZTMLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001574889905 984121065 /nfs/dbraw/zinc/12/10/65/984121065.db2.gz RONNBACEWASPNB-MRXNPFEDSA-N 2 0 244.382 2.777 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001574899566 984123389 /nfs/dbraw/zinc/12/33/89/984123389.db2.gz AVLPWSRMOOEKJY-RBGFHDKUSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300224068 984283728 /nfs/dbraw/zinc/28/37/28/984283728.db2.gz KSPPSWSAWPBYMM-UONOGXRCSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985082 984299569 /nfs/dbraw/zinc/29/95/69/984299569.db2.gz VQMAQSPKKOMDKZ-ZIAGYGMSSA-N 2 0 224.392 2.650 20 30 BFEDRP C=CCCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274975012 984431395 /nfs/dbraw/zinc/43/13/95/984431395.db2.gz UGDUTFDOZMDFBX-GASCZTMLSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000383925036 985591177 /nfs/dbraw/zinc/59/11/77/985591177.db2.gz ARJVTOBHIFALHU-AGUYFDCRSA-N 2 0 236.403 2.804 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001258721368 986053648 /nfs/dbraw/zinc/05/36/48/986053648.db2.gz TZRBYZCKWUOFHW-ZDUSSCGKSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258732734 986074893 /nfs/dbraw/zinc/07/48/93/986074893.db2.gz PLAKBKUTQCGTRM-CQSZACIVSA-N 2 0 236.403 2.759 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC3([NH3+])CCCC3)C[C@H](C1)C2 ZINC001246074594 987365319 /nfs/dbraw/zinc/36/53/19/987365319.db2.gz DXSHXUDONFAQKC-YIONKMFJSA-N 2 0 248.414 2.982 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001246085837 987386420 /nfs/dbraw/zinc/38/64/20/987386420.db2.gz JEAUHFKUIIRRBZ-RYUDHWBXSA-N 2 0 200.370 2.672 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[NH2+]CC3)C[C@H](C1)C2 ZINC001246099940 987416433 /nfs/dbraw/zinc/41/64/33/987416433.db2.gz ZJHNBLBGDPUJRR-QGPPMGRFSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC001246115399 987452970 /nfs/dbraw/zinc/45/29/70/987452970.db2.gz HNRGVKZSKZTJFN-QWHCGFSZSA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]1 ZINC001246192112 987578368 /nfs/dbraw/zinc/57/83/68/987578368.db2.gz DQKUXFIDRLRHNF-CHWSQXEVSA-N 2 0 212.381 2.687 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C(C)(C)CC[NH3+])C[C@H](C1)C2 ZINC001246363041 987773284 /nfs/dbraw/zinc/77/32/84/987773284.db2.gz OJTGZOCEJTXOHZ-PBWFPOADSA-N 2 0 236.403 2.838 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[NH2+]C(C)C)C[C@H](C1)C2 ZINC001246452252 987808574 /nfs/dbraw/zinc/80/85/74/987808574.db2.gz JADQDIRDFKOBNG-YIONKMFJSA-N 2 0 236.403 2.709 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC3([NH3+])CCC3)C[C@H](C1)C2 ZINC001246511794 987863135 /nfs/dbraw/zinc/86/31/35/987863135.db2.gz RVRIAFRLHMAVPQ-PBWFPOADSA-N 2 0 234.387 2.592 20 30 BFEDRP C=CCC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246561955 987993634 /nfs/dbraw/zinc/99/36/34/987993634.db2.gz VBEACYQMIYAWAJ-IHRRRGAJSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246561957 987995546 /nfs/dbraw/zinc/99/55/46/987995546.db2.gz VBEACYQMIYAWAJ-MELADBBJSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611458 988236698 /nfs/dbraw/zinc/23/66/98/988236698.db2.gz TZTLVACDAJPUHC-KBPBESRZSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001258721027 991652878 /nfs/dbraw/zinc/65/28/78/991652878.db2.gz LGUDKRJHZSBMTH-IYXRBSQSSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001258730834 991671106 /nfs/dbraw/zinc/67/11/06/991671106.db2.gz OUOVQHJXJOAUJH-CYBMUJFWSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCC[C@@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001258733890 991679893 /nfs/dbraw/zinc/67/98/93/991679893.db2.gz NRBLDPKDRHXOKD-CYBMUJFWSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001574872470 992931338 /nfs/dbraw/zinc/93/13/38/992931338.db2.gz MNMLNYSWRDSILV-VXGBXAGGSA-N 2 0 224.392 2.694 20 30 BFEDRP C=C[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC001574881517 992935610 /nfs/dbraw/zinc/93/56/10/992935610.db2.gz IKIOSNMYIDDGMU-HNNXBMFYSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001574872689 992935689 /nfs/dbraw/zinc/93/56/89/992935689.db2.gz QYWKNWWUJDZWEB-CHWSQXEVSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001574872693 992936255 /nfs/dbraw/zinc/93/62/55/992936255.db2.gz QYWKNWWUJDZWEB-OLZOCXBDSA-N 2 0 224.392 2.696 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000382318713 993446958 /nfs/dbraw/zinc/44/69/58/993446958.db2.gz SLKUEQIZFALTLZ-CYBMUJFWSA-N 2 0 212.381 2.770 20 30 BFEDRP CCCCCCCCCN1CC(C[NH2+]C)C1 ZINC000382411333 993459467 /nfs/dbraw/zinc/45/94/67/993459467.db2.gz YXPGDTKVOPRDIQ-UHFFFAOYSA-N 2 0 226.408 2.888 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423174195 398164590 /nfs/dbraw/zinc/16/45/90/398164590.db2.gz BOUPROKBKWOKHK-IJEWVQPXSA-N 2 0 246.398 2.889 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000336750656 136219700 /nfs/dbraw/zinc/21/97/00/136219700.db2.gz ZOKCTAVCINZTGJ-CYBMUJFWSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000344290815 365676993 /nfs/dbraw/zinc/67/69/93/365676993.db2.gz CVQGVIJZTAGCAX-KKUMJFAQSA-N 2 0 236.403 2.948 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602502041 349561548 /nfs/dbraw/zinc/56/15/48/349561548.db2.gz JZAYKFMHMOXFNC-UHFFFAOYSA-N 2 0 249.402 2.531 20 30 BFEDRP CN(CC[NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602540841 349605447 /nfs/dbraw/zinc/60/54/47/349605447.db2.gz VXISCLOJUUYDOP-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351598735 136247496 /nfs/dbraw/zinc/24/74/96/136247496.db2.gz VEGMSIKTQGVQMP-HNNXBMFYSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118001084 398326735 /nfs/dbraw/zinc/32/67/35/398326735.db2.gz SHRVWSGMLMBUFU-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351730377 136250335 /nfs/dbraw/zinc/25/03/35/136250335.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 2 0 248.414 2.901 20 30 BFEDRP C[C@H](CCC#N)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000602679940 349672827 /nfs/dbraw/zinc/67/28/27/349672827.db2.gz CAUOYEGAMDGYEL-CYBMUJFWSA-N 2 0 239.407 2.636 20 30 BFEDRP C=C(C)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000351851407 136257826 /nfs/dbraw/zinc/25/78/26/136257826.db2.gz JFSKSXVGWCCLHP-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000126696726 344183010 /nfs/dbraw/zinc/18/30/10/344183010.db2.gz BPQGTXBEMUECKQ-ZDUSSCGKSA-N 2 0 212.381 2.663 20 30 BFEDRP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358503687 344565872 /nfs/dbraw/zinc/56/58/72/344565872.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368103065 344594771 /nfs/dbraw/zinc/59/47/71/344594771.db2.gz RWCAEGJGBWOUOX-STQMWFEESA-N 2 0 247.386 2.992 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000583451518 344999267 /nfs/dbraw/zinc/99/92/67/344999267.db2.gz XOLWWRUTYNRWSJ-UKRRQHHQSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000635017578 345216683 /nfs/dbraw/zinc/21/66/83/345216683.db2.gz FGNBFQJCKJRKJM-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000635020121 345222560 /nfs/dbraw/zinc/22/25/60/345222560.db2.gz JUGBGSARHMSWFC-QWHCGFSZSA-N 2 0 224.392 2.838 20 30 BFEDRP N#CC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCCC1 ZINC000594739937 348110639 /nfs/dbraw/zinc/11/06/39/348110639.db2.gz TYLFCMYSUWHFAO-UHFFFAOYSA-N 2 0 249.402 2.568 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494921 362918549 /nfs/dbraw/zinc/91/85/49/362918549.db2.gz JOJWJUPXXBQOCT-CYBMUJFWSA-N 2 0 224.392 2.805 20 30 BFEDRP C=C1CC[NH+](C/C=C\C[NH+]2CCC(=C)CC2)CC1 ZINC000340154886 351952059 /nfs/dbraw/zinc/95/20/59/351952059.db2.gz SYUNMZAUIDLLSP-ARJAWSKDSA-N 2 0 246.398 2.847 20 30 BFEDRP C=CCSCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000231932922 353673967 /nfs/dbraw/zinc/67/39/67/353673967.db2.gz OYAGGCNVIXOVBE-KBPBESRZSA-N 2 0 248.395 2.640 20 30 BFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340477946 181060830 /nfs/dbraw/zinc/06/08/30/181060830.db2.gz OTRZHEXPUNLIAV-HUUCEWRRSA-N 2 0 249.402 2.534 20 30 BFEDRP C=CCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000344591481 354321248 /nfs/dbraw/zinc/32/12/48/354321248.db2.gz YVBLRCWFHASFIL-UHFFFAOYSA-N 2 0 224.392 2.757 20 30 BFEDRP N#CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346331672 354898969 /nfs/dbraw/zinc/89/89/69/354898969.db2.gz LZEHGXCGVGCOGB-UHFFFAOYSA-N 2 0 249.402 2.677 20 30 BFEDRP C=CC[N@H+](CC1CCCCC1)CC(C)(C)[NH3+] ZINC000346975594 355210797 /nfs/dbraw/zinc/21/07/97/355210797.db2.gz JITJLWSUANYQAK-UHFFFAOYSA-N 2 0 224.392 2.792 20 30 BFEDRP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000351891953 356158130 /nfs/dbraw/zinc/15/81/30/356158130.db2.gz RURZWSNYTQFUNH-KGLIPLIRSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423282292 192675986 /nfs/dbraw/zinc/67/59/86/192675986.db2.gz WKEFBFBYSUOBMO-STQMWFEESA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982351 358025579 /nfs/dbraw/zinc/02/55/79/358025579.db2.gz NENVCFNDITXRHJ-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325872 192740236 /nfs/dbraw/zinc/74/02/36/192740236.db2.gz JXRBZQHJUVLONO-CHWSQXEVSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449013 192773207 /nfs/dbraw/zinc/77/32/07/192773207.db2.gz VUHFEHXGHDLWNG-MYZSUADSSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629515335 361112815 /nfs/dbraw/zinc/11/28/15/361112815.db2.gz OSCIVJZUFZIMBK-KGLIPLIRSA-N 2 0 236.403 2.996 20 30 BFEDRP C=C(C)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629730031 361668583 /nfs/dbraw/zinc/66/85/83/361668583.db2.gz OKKWTJSSOZMDSO-UHFFFAOYSA-N 2 0 230.355 2.643 20 30 BFEDRP CC[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CC ZINC000574658152 365116401 /nfs/dbraw/zinc/11/64/01/365116401.db2.gz XENJFBOYOUTZSX-HZPDHXFCSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000580843697 367187185 /nfs/dbraw/zinc/18/71/85/367187185.db2.gz GPFFHMDAMUTSCS-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000385039404 367776698 /nfs/dbraw/zinc/77/66/98/367776698.db2.gz NDZDBPNHHQWBCI-HZSPNIEDSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386376394 367958655 /nfs/dbraw/zinc/95/86/55/367958655.db2.gz CFLRAPZJKQOLKL-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=C(C)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000386645798 368005781 /nfs/dbraw/zinc/00/57/81/368005781.db2.gz AUHNCTFNSWQNMB-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120988 371321622 /nfs/dbraw/zinc/32/16/22/371321622.db2.gz LHCSIISYCBCXGD-SOUVJXGZSA-N 2 0 238.419 2.909 20 30 BFEDRP C=C(C)CN1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000174363141 374187208 /nfs/dbraw/zinc/18/72/08/374187208.db2.gz NCWWMIGQSQCSQJ-HIFRSBDPSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336654408 206018938 /nfs/dbraw/zinc/01/89/38/206018938.db2.gz HFEJWEURHGBSGE-ZIAGYGMSSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545751 384013819 /nfs/dbraw/zinc/01/38/19/384013819.db2.gz BNQZNYNABMSECI-KGLIPLIRSA-N 2 0 236.403 2.996 20 30 BFEDRP C=C(CC)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000313492213 384420845 /nfs/dbraw/zinc/42/08/45/384420845.db2.gz MMRCTSFBUDMDDS-UHFFFAOYSA-N 2 0 245.370 2.606 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367597360 384492326 /nfs/dbraw/zinc/49/23/26/384492326.db2.gz MSOQWWQFEAARHC-KFWWJZLASA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161171426 384881308 /nfs/dbraw/zinc/88/13/08/384881308.db2.gz ZDMXZAYOEYGWQV-UHFFFAOYSA-N 2 0 224.392 2.760 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297664557 384883322 /nfs/dbraw/zinc/88/33/22/384883322.db2.gz ZEKAPVXYYZBZTQ-LBPRGKRZSA-N 2 0 229.327 2.779 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449484586 385187038 /nfs/dbraw/zinc/18/70/38/385187038.db2.gz IBTPWVDUCUMHQD-STQMWFEESA-N 2 0 224.392 2.519 20 30 BFEDRP N#CCCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157495447 385199290 /nfs/dbraw/zinc/19/92/90/385199290.db2.gz MITZZPBHSBJFAC-HNNXBMFYSA-N 2 0 249.402 2.631 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000309045150 385388796 /nfs/dbraw/zinc/38/87/96/385388796.db2.gz NZHFHUNJHYVWLJ-QWHCGFSZSA-N 2 0 212.381 2.519 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000335035911 385925951 /nfs/dbraw/zinc/92/59/51/385925951.db2.gz DQRMTICKASFCDE-DNDYEEKYSA-N 2 0 249.402 2.566 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000335035913 385926667 /nfs/dbraw/zinc/92/66/67/385926667.db2.gz DQRMTICKASFCDE-LMRVLLHPSA-N 2 0 249.402 2.566 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347107243 386252181 /nfs/dbraw/zinc/25/21/81/386252181.db2.gz VCNALPKRROAORR-CQSZACIVSA-N 2 0 232.327 2.501 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977042 386572394 /nfs/dbraw/zinc/57/23/94/386572394.db2.gz XKMFQAUNOBJXES-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000336664133 386755471 /nfs/dbraw/zinc/75/54/71/386755471.db2.gz XGKZFFJQRHOIOJ-MGPQQGTHSA-N 2 0 238.419 2.907 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC1([NH3+])CCC1 ZINC000423341261 387189478 /nfs/dbraw/zinc/18/94/78/387189478.db2.gz XYDPLAYBAYKFAE-GFCCVEGCSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423408957 387246643 /nfs/dbraw/zinc/24/66/43/387246643.db2.gz YFQFKMMBOAWIFO-RDBSUJKOSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000423348264 387197238 /nfs/dbraw/zinc/19/72/38/387197238.db2.gz SUHCHSUFMOLBKI-GJZGRUSLSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423390928 387276587 /nfs/dbraw/zinc/27/65/87/387276587.db2.gz WMXXIINNCJLNEQ-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431805 387283035 /nfs/dbraw/zinc/28/30/35/387283035.db2.gz VONCWUHUMGHSFU-AJNGGQMLSA-N 2 0 238.419 2.942 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1CC1 ZINC000423443201 387292349 /nfs/dbraw/zinc/29/23/49/387292349.db2.gz VNNZPGNQPHPLLI-JSGCOSHPSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423481325 387364568 /nfs/dbraw/zinc/36/45/68/387364568.db2.gz OASKTXWGECCMIS-KBPBESRZSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423548346 387369825 /nfs/dbraw/zinc/36/98/25/387369825.db2.gz QTLSXIQRKSSSQE-VQJWOFKYSA-N 2 0 236.403 2.565 20 30 BFEDRP CC1(C#N)CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423477209 387324340 /nfs/dbraw/zinc/32/43/40/387324340.db2.gz JUEPPRMREVWGPM-WLYUNCDWSA-N 2 0 249.402 2.581 20 30 BFEDRP C=CCC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423489107 387333111 /nfs/dbraw/zinc/33/31/11/387333111.db2.gz WAXMSDUWZWWPCY-GJZGRUSLSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423487561 387333276 /nfs/dbraw/zinc/33/32/76/387333276.db2.gz CROJELNHMACXCG-RDBSUJKOSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423489108 387333727 /nfs/dbraw/zinc/33/37/27/387333727.db2.gz WAXMSDUWZWWPCY-HUUCEWRRSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508152 387486043 /nfs/dbraw/zinc/48/60/43/387486043.db2.gz PDKZKKPXKBVJFL-CHWSQXEVSA-N 2 0 212.381 2.565 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522225 387718194 /nfs/dbraw/zinc/71/81/94/387718194.db2.gz JXUIQNPXBDAKRO-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527927056 387793435 /nfs/dbraw/zinc/79/34/35/387793435.db2.gz QYVMUGHDMGGTQL-OLZOCXBDSA-N 2 0 224.392 2.519 20 30 BFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCC#N ZINC000422972766 387820339 /nfs/dbraw/zinc/82/03/39/387820339.db2.gz MSTXQILKABMCHY-KBPBESRZSA-N 2 0 237.391 2.581 20 30 BFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCC#N ZINC000422972768 387820566 /nfs/dbraw/zinc/82/05/66/387820566.db2.gz MSTXQILKABMCHY-UONOGXRCSA-N 2 0 237.391 2.581 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423012255 387835752 /nfs/dbraw/zinc/83/57/52/387835752.db2.gz CPPYNVCHIZFLSA-JKXDFHQYSA-N 2 0 236.403 2.994 20 30 BFEDRP C=CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423027103 387843156 /nfs/dbraw/zinc/84/31/56/387843156.db2.gz OGHFTZKCZNRDBA-ICIURTGMSA-N 2 0 222.376 2.604 20 30 BFEDRP C=C(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423027167 387844376 /nfs/dbraw/zinc/84/43/76/387844376.db2.gz OMCAIPVQYRELLD-JKSUJKDBSA-N 2 0 244.382 2.807 20 30 BFEDRP C=C(C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423032149 387849299 /nfs/dbraw/zinc/84/92/99/387849299.db2.gz VUIKRPNWXQOYEI-UHFFFAOYSA-N 2 0 244.382 2.807 20 30 BFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CC#N)CC1 ZINC000423094358 387884496 /nfs/dbraw/zinc/88/44/96/387884496.db2.gz KABMAMYNLDBLDE-KGLIPLIRSA-N 2 0 249.402 2.581 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423096144 387884996 /nfs/dbraw/zinc/88/49/96/387884996.db2.gz GYZAMJXCYPIQNZ-YPMHNXCESA-N 2 0 247.386 2.854 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000423152924 387932447 /nfs/dbraw/zinc/93/24/47/387932447.db2.gz GMFJPPJRYPVQGN-QWHCGFSZSA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000423166651 387950635 /nfs/dbraw/zinc/95/06/35/387950635.db2.gz VOBDOFLPCOKGPH-STQMWFEESA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423177686 387963631 /nfs/dbraw/zinc/96/36/31/387963631.db2.gz HMKWCAGRRPUSCP-GOEBONIOSA-N 2 0 246.398 2.891 20 30 BFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424366810 387992631 /nfs/dbraw/zinc/99/26/31/387992631.db2.gz JTAPCZHLFIJFRV-BYNSBNAKSA-N 2 0 249.402 2.579 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423259787 388038352 /nfs/dbraw/zinc/03/83/52/388038352.db2.gz OWBNOIRHEDYKIG-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246439 388029929 /nfs/dbraw/zinc/02/99/29/388029929.db2.gz KAZWVGHXURXINO-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423277569 388058556 /nfs/dbraw/zinc/05/85/56/388058556.db2.gz PYYUAPXXGQDVSF-STQMWFEESA-N 2 0 212.381 2.566 20 30 BFEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000453378829 388064326 /nfs/dbraw/zinc/06/43/26/388064326.db2.gz ZSJLGAMPCLVALL-UYTSQGDYSA-N 2 0 248.414 2.946 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC([NH3+])(CC)CC)C1CC1 ZINC000423287642 388073201 /nfs/dbraw/zinc/07/32/01/388073201.db2.gz NSLCKNWWYYIRHN-CYBMUJFWSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336667963 388461407 /nfs/dbraw/zinc/46/14/07/388461407.db2.gz QPJAKJLOQDLXME-UONOGXRCSA-N 2 0 222.376 2.559 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989475 388703723 /nfs/dbraw/zinc/70/37/23/388703723.db2.gz NBMBYIBWKYRVGL-APIJFGDWSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[NH+](CC(C)C[N@H+](CC=C)C1CC1)C1CC1 ZINC000357550636 134184051 /nfs/dbraw/zinc/18/40/51/134184051.db2.gz GZBMTVOWSQQFQE-UHFFFAOYSA-N 2 0 248.414 2.923 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576412 134267685 /nfs/dbraw/zinc/26/76/85/134267685.db2.gz UJWGRGUGLADUIP-OAHLLOKOSA-N 2 0 236.403 2.903 20 30 BFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000185760915 134393929 /nfs/dbraw/zinc/39/39/29/134393929.db2.gz FHIGLODENUKXLU-HUUCEWRRSA-N 2 0 249.402 2.534 20 30 BFEDRP CC[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000185774951 134394575 /nfs/dbraw/zinc/39/45/75/134394575.db2.gz GSRBYFMBYQNLIV-KKUMJFAQSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[NH+](C)C/C=C\C[N@H+](C)CCC=C ZINC000342722897 135314584 /nfs/dbraw/zinc/31/45/84/135314584.db2.gz BWUSMQYUDXJALU-KTKRTIGZSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271807998 166295332 /nfs/dbraw/zinc/29/53/32/166295332.db2.gz AFPPZIJHVWVIJD-CQSZACIVSA-N 2 0 222.376 2.583 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271829978 166295529 /nfs/dbraw/zinc/29/55/29/166295529.db2.gz DVLDJPBGJKZXSM-OAHLLOKOSA-N 2 0 236.403 2.973 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665230287 410724581 /nfs/dbraw/zinc/72/45/81/410724581.db2.gz MDGQRPVDSXHPEC-KBXIAJHMSA-N 2 0 236.403 2.981 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000651694135 411136594 /nfs/dbraw/zinc/13/65/94/411136594.db2.gz RRUYOCPWMABXIM-MJBXVCDLSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000651694132 411136681 /nfs/dbraw/zinc/13/66/81/411136681.db2.gz RRUYOCPWMABXIM-BFHYXJOUSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000651706092 411137112 /nfs/dbraw/zinc/13/71/12/411137112.db2.gz SIDYKCISVHTOAN-DZGCQCFKSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000651709183 411137439 /nfs/dbraw/zinc/13/74/39/411137439.db2.gz NGOHYVWIQFCZFL-ILXRZTDVSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939226 411174264 /nfs/dbraw/zinc/17/42/64/411174264.db2.gz WAWFMMAROZGQSG-JKSUJKDBSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401049141 411174834 /nfs/dbraw/zinc/17/48/34/411174834.db2.gz SITFWPIYEDTUAF-LJISPDSOSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380795 411249853 /nfs/dbraw/zinc/24/98/53/411249853.db2.gz XUJNHHCQYNEVMD-BFHYXJOUSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000656792638 411372288 /nfs/dbraw/zinc/37/22/88/411372288.db2.gz UTWISLCOKMMYKW-UONOGXRCSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)n1C ZINC000657529858 411544368 /nfs/dbraw/zinc/54/43/68/411544368.db2.gz JNNXNUYLVJIHLC-ZFWWWQNUSA-N 2 0 247.386 2.953 20 30 BFEDRP C=CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680344 411616673 /nfs/dbraw/zinc/61/66/73/411616673.db2.gz WWCLBTGXIOHAEL-UHFFFAOYSA-N 2 0 244.382 2.817 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246313 412191248 /nfs/dbraw/zinc/19/12/48/412191248.db2.gz BMOJQHRZBAJURQ-ZDUSSCGKSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CCCC1 ZINC000665249358 412195494 /nfs/dbraw/zinc/19/54/94/412195494.db2.gz OLGURHKJARLSBV-GFCCVEGCSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230686 412167131 /nfs/dbraw/zinc/16/71/31/412167131.db2.gz UDJAEUVABUCVOA-LJISPDSOSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665229834 412167539 /nfs/dbraw/zinc/16/75/39/412167539.db2.gz DPXDNBNYKUFRRI-WOFIAXNJSA-N 2 0 248.414 2.994 20 30 BFEDRP C=CCCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000665235990 412168018 /nfs/dbraw/zinc/16/80/18/412168018.db2.gz DZUWSYQDEPIFBN-ZIAGYGMSSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665230075 412168219 /nfs/dbraw/zinc/16/82/19/412168219.db2.gz IIBIJFZCHULYLH-FQUUOJAGSA-N 2 0 224.392 2.837 20 30 BFEDRP C=CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CC1 ZINC000119782225 323936804 /nfs/dbraw/zinc/93/68/04/323936804.db2.gz OQHDQOKWLOQTOU-AWEZNQCLSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000545318083 325212182 /nfs/dbraw/zinc/21/21/82/325212182.db2.gz UDMJPJARMBKASU-UHFFFAOYSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000568533555 326364325 /nfs/dbraw/zinc/36/43/25/326364325.db2.gz TVKQQSAKHGZJRT-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000310025911 491160290 /nfs/dbraw/zinc/16/02/90/491160290.db2.gz PFYVTTMONXIJEP-TZMCWYRMSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341448801 534359219 /nfs/dbraw/zinc/35/92/19/534359219.db2.gz DHBNFECZOGVAMM-XQLPTFJDSA-N 2 0 236.403 2.804 20 30 BFEDRP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358615499 534374879 /nfs/dbraw/zinc/37/48/79/534374879.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000340422395 534553566 /nfs/dbraw/zinc/55/35/66/534553566.db2.gz AIVUSUAGHPSLPO-UONOGXRCSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293632 583639730 /nfs/dbraw/zinc/63/97/30/583639730.db2.gz IJXYGYNQDKLGTN-CHWSQXEVSA-N 2 0 212.381 2.661 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259538 584128224 /nfs/dbraw/zinc/12/82/24/584128224.db2.gz GLGRRSRINSYIFS-XQLPTFJDSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374701 584567303 /nfs/dbraw/zinc/56/73/03/584567303.db2.gz PBVSUPWWGOUHLB-CYBMUJFWSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764813 584797097 /nfs/dbraw/zinc/79/70/97/584797097.db2.gz BNJGRCZFTBHKMJ-LSDHHAIUSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794386 584799034 /nfs/dbraw/zinc/79/90/34/584799034.db2.gz SVNXVGKERKKTDI-UHFFFAOYSA-N 2 0 244.382 2.555 20 30 BFEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903782979 584800166 /nfs/dbraw/zinc/80/01/66/584800166.db2.gz UZJVKCOPVBLQSP-CHWSQXEVSA-N 2 0 249.402 2.566 20 30 BFEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903782981 584800285 /nfs/dbraw/zinc/80/02/85/584800285.db2.gz UZJVKCOPVBLQSP-OLZOCXBDSA-N 2 0 249.402 2.566 20 30 BFEDRP C#CCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465588 585284982 /nfs/dbraw/zinc/28/49/82/585284982.db2.gz PAWFBPOGZPIHCW-HUUCEWRRSA-N 2 0 248.414 2.642 20 30 BFEDRP C#CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000760889095 585401263 /nfs/dbraw/zinc/40/12/63/585401263.db2.gz YVTMHAAMVNZOJK-UHFFFAOYSA-N 2 0 248.414 2.598 20 30 BFEDRP CCCCCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000116927273 589058772 /nfs/dbraw/zinc/05/87/72/589058772.db2.gz QFVYABBPZQTUIK-GJZGRUSLSA-N 2 0 238.419 2.888 20 30 BFEDRP CCCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817914281 586839330 /nfs/dbraw/zinc/83/93/30/586839330.db2.gz YAXPQPRFXQCFIU-CHWSQXEVSA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817933004 586843388 /nfs/dbraw/zinc/84/33/88/586843388.db2.gz ZHOWFEVYBBHUQY-KGLIPLIRSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948769 586846813 /nfs/dbraw/zinc/84/68/13/586846813.db2.gz LJQICCLOVFOOCL-UONOGXRCSA-N 2 0 246.398 2.878 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948767 586846906 /nfs/dbraw/zinc/84/69/06/586846906.db2.gz LJQICCLOVFOOCL-KBPBESRZSA-N 2 0 246.398 2.878 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000817964413 586853815 /nfs/dbraw/zinc/85/38/15/586853815.db2.gz BQNFCZAHOGDRKL-ZDUSSCGKSA-N 2 0 224.392 2.982 20 30 BFEDRP C#CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000829779288 587515850 /nfs/dbraw/zinc/51/58/50/587515850.db2.gz QDLFPASQRXSDPA-CVEARBPZSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843341856 588101218 /nfs/dbraw/zinc/10/12/18/588101218.db2.gz HVZVOWAZTZZEMN-CHWSQXEVSA-N 2 0 212.381 2.696 20 30 BFEDRP C=C(Cl)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123268942 589683722 /nfs/dbraw/zinc/68/37/22/589683722.db2.gz IQWOMWBGKJIHGL-UHFFFAOYSA-N 2 0 244.810 2.793 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccco1 ZINC000873256344 590011515 /nfs/dbraw/zinc/01/15/15/590011515.db2.gz LXPFMMDRGUMFHL-JHJVBQTASA-N 2 0 234.343 2.614 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267591 590015338 /nfs/dbraw/zinc/01/53/38/590015338.db2.gz GVTIUQRAGQXEMK-YNEHKIRRSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CC1 ZINC000873271076 590016490 /nfs/dbraw/zinc/01/64/90/590016490.db2.gz DSPBVEVELMKITI-SWLSCSKDSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873278923 590017493 /nfs/dbraw/zinc/01/74/93/590017493.db2.gz AUSKIWQHHMMFCF-PBWFPOADSA-N 2 0 236.403 2.851 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876936231 590259139 /nfs/dbraw/zinc/25/91/39/590259139.db2.gz TUNKGLZLAZVBHO-JKSUJKDBSA-N 2 0 248.414 2.787 20 30 BFEDRP C=C(C)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701794 590852902 /nfs/dbraw/zinc/85/29/02/590852902.db2.gz ATWBXQOHKKDMLV-UHFFFAOYSA-N 2 0 238.419 2.862 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429438 591660184 /nfs/dbraw/zinc/66/01/84/591660184.db2.gz VWMPRSDTIGLGLK-ZNMIVQPWSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439017 591667038 /nfs/dbraw/zinc/66/70/38/591667038.db2.gz HBXYCNNXOSCRQQ-TZMCWYRMSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439016 591667269 /nfs/dbraw/zinc/66/72/69/591667269.db2.gz HBXYCNNXOSCRQQ-OCCSQVGLSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886719602 592310798 /nfs/dbraw/zinc/31/07/98/592310798.db2.gz AMWSZLKUUPYQHR-CQSZACIVSA-N 2 0 236.403 2.901 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000104460057 592613908 /nfs/dbraw/zinc/61/39/08/592613908.db2.gz PCBHUQJIPCXPRG-AWEZNQCLSA-N 2 0 226.408 2.888 20 30 BFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925714275 634426527 /nfs/dbraw/zinc/42/65/27/634426527.db2.gz OZXKZXAEDGKCGQ-QLFBSQMISA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309240768 632834365 /nfs/dbraw/zinc/83/43/65/632834365.db2.gz WQJVNBPIZAAZAR-ZIAGYGMSSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925601610 634127445 /nfs/dbraw/zinc/12/74/45/634127445.db2.gz MKQBLBVTGJSETB-CFVMTHIKSA-N 2 0 236.403 2.709 20 30 BFEDRP C[C@@H](CCC#N)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980926 636853642 /nfs/dbraw/zinc/85/36/42/636853642.db2.gz GIOOJGWAEIFPCI-ZDUSSCGKSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC[C@@H]1CC[NH+]1CCC[N@H+]1CC[C@@H]1CC=C ZINC000934461056 641153401 /nfs/dbraw/zinc/15/34/01/641153401.db2.gz PGRKVOQIEFWPIT-GASCZTMLSA-N 2 0 234.387 2.677 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699989 644886386 /nfs/dbraw/zinc/88/63/86/644886386.db2.gz XJAACNCGRNBKDO-OLZOCXBDSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925724626 646449108 /nfs/dbraw/zinc/44/91/08/646449108.db2.gz LHQHOJIIMSWJGB-ZDUSSCGKSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793176 646485609 /nfs/dbraw/zinc/48/56/09/646485609.db2.gz XLYYWMJEEOYKNF-HZSPNIEDSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796766 646487300 /nfs/dbraw/zinc/48/73/00/646487300.db2.gz DOVPBBFPCFERGI-MGPQQGTHSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393773727 711173816 /nfs/dbraw/zinc/17/38/16/711173816.db2.gz KZONKNXXTQLBIV-RLAWYHOSSA-N 2 0 222.376 2.556 20 30 BFEDRP C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000724454901 711581325 /nfs/dbraw/zinc/58/13/25/711581325.db2.gz QFKRTSSORBIHKE-YIONKMFJSA-N 2 0 234.387 2.605 20 30 BFEDRP C=CC[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703688534 712083507 /nfs/dbraw/zinc/08/35/07/712083507.db2.gz CQRAHBSAKFYGBA-WZYMTQMTSA-N 2 0 248.414 2.805 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000703718269 712084336 /nfs/dbraw/zinc/08/43/36/712084336.db2.gz UKTUEGUJTUXRGD-QWHCGFSZSA-N 2 0 224.392 2.816 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000703728820 712085783 /nfs/dbraw/zinc/08/57/83/712085783.db2.gz UNJDLRSQGZGSTO-ZDUSSCGKSA-N 2 0 212.381 2.689 20 30 BFEDRP CCCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000703732592 712086077 /nfs/dbraw/zinc/08/60/77/712086077.db2.gz CUGVTZHPZKXPNY-BTFPBAQTSA-N 2 0 236.403 2.543 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383470 979878439 /nfs/dbraw/zinc/87/84/39/979878439.db2.gz PGYCHGURTHPLAV-HUUCEWRRSA-N 2 0 236.403 2.807 20 30 BFEDRP N#CC1CCC([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001256950784 971026737 /nfs/dbraw/zinc/02/67/37/971026737.db2.gz MLEWDCLWUDIKRR-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405422510 971254696 /nfs/dbraw/zinc/25/46/96/971254696.db2.gz YDLLQENQLJLCIR-RWMBFGLXSA-N 2 0 222.376 2.591 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708891147 960082328 /nfs/dbraw/zinc/08/23/28/960082328.db2.gz SHUBRWJMZOMLBW-UONOGXRCSA-N 2 0 226.408 2.874 20 30 BFEDRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695841284 960502888 /nfs/dbraw/zinc/50/28/88/960502888.db2.gz GUODLCDRIOXEEA-CYBMUJFWSA-N 2 0 239.407 2.635 20 30 BFEDRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCC#N ZINC001167826217 961159256 /nfs/dbraw/zinc/15/92/56/961159256.db2.gz PIENNCNCZYYVDG-CQSZACIVSA-N 2 0 239.407 2.732 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236817166 966556517 /nfs/dbraw/zinc/55/65/17/966556517.db2.gz ABAXFOIEXXSWIT-KKUMJFAQSA-N 2 0 236.403 2.792 20 30 BFEDRP CCCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000822173596 968510531 /nfs/dbraw/zinc/51/05/31/968510531.db2.gz YKPJKJCSNJQUDC-UHFFFAOYSA-N 2 0 224.392 2.770 20 30 BFEDRP C=C(C)C[N@@H+](CC)CC1(C)CC[NH+](C)CC1 ZINC001208109558 969010302 /nfs/dbraw/zinc/01/03/02/969010302.db2.gz OXCANRKDGYEMPY-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(C)C[N@@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144127 969466116 /nfs/dbraw/zinc/46/61/16/969466116.db2.gz JDJZJYDAWLPUHS-WDNDVIMCSA-N 2 0 222.376 2.510 20 30 BFEDRP C=CCCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001209433435 969501470 /nfs/dbraw/zinc/50/14/70/969501470.db2.gz WMZYXXFPYLWMDT-GASCZTMLSA-N 2 0 236.403 2.616 20 30 BFEDRP C[C@H](CCCC#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172489451 974835126 /nfs/dbraw/zinc/83/51/26/974835126.db2.gz SDADBKRGPXWOPC-CYBMUJFWSA-N 2 0 249.402 2.533 20 30 BFEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172491320 974838121 /nfs/dbraw/zinc/83/81/21/974838121.db2.gz DRMAGPIXBDOONT-AWEZNQCLSA-N 2 0 249.402 2.629 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235257513 979012244 /nfs/dbraw/zinc/01/22/44/979012244.db2.gz ZTDWVNGXCVIPJM-IHRRRGAJSA-N 2 0 224.392 2.768 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893960 979186899 /nfs/dbraw/zinc/18/68/99/979186899.db2.gz YVGQUBMJEBIYNH-KBPBESRZSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235930997 979212898 /nfs/dbraw/zinc/21/28/98/979212898.db2.gz ZFNUETVQPJDQEO-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235931000 979213904 /nfs/dbraw/zinc/21/39/04/979213904.db2.gz ZFNUETVQPJDQEO-LSDHHAIUSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@@H](C)[NH2+]C ZINC001348851923 981459971 /nfs/dbraw/zinc/45/99/71/981459971.db2.gz HUWGIMUHZOJGRK-CHWSQXEVSA-N 2 0 212.381 2.709 20 30 BFEDRP C=C(C)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001240836367 981880014 /nfs/dbraw/zinc/88/00/14/981880014.db2.gz GDWNQJNRXJEGIO-UHFFFAOYSA-N 2 0 244.382 2.890 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001574899563 984120599 /nfs/dbraw/zinc/12/05/99/984120599.db2.gz AVLPWSRMOOEKJY-DGADGQDISA-N 2 0 248.414 2.709 20 30 BFEDRP C=CC[C@@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001462460327 986383722 /nfs/dbraw/zinc/38/37/22/986383722.db2.gz KQFMGDDHGGYWAB-CQSZACIVSA-N 2 0 236.403 2.616 20 30 BFEDRP CC[C@H](CC#N)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001255159767 986833426 /nfs/dbraw/zinc/83/34/26/986833426.db2.gz BMYRDPOUFKLVRD-CQSZACIVSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693678771 987312274 /nfs/dbraw/zinc/31/22/74/987312274.db2.gz MZYWOAICMKQAFB-MJBXVCDLSA-N 2 0 236.403 2.709 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246073397 987358658 /nfs/dbraw/zinc/35/86/58/987358658.db2.gz UPBYVUFONSQHAN-XYPWUTKMSA-N 2 0 248.414 2.711 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246118481 987465316 /nfs/dbraw/zinc/46/53/16/987465316.db2.gz YWSJEWMPSCSBTB-MELADBBJSA-N 2 0 226.408 2.933 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246128471 987476660 /nfs/dbraw/zinc/47/66/60/987476660.db2.gz JLRZEMIWJRPCRX-ZIAGYGMSSA-N 2 0 249.402 2.581 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@H]3[NH3+])C[C@H](C1)C2 ZINC001246275618 987670750 /nfs/dbraw/zinc/67/07/50/987670750.db2.gz BCNBEDFESXAULN-WQGXVZNYSA-N 2 0 234.387 2.591 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246338875 987749435 /nfs/dbraw/zinc/74/94/35/987749435.db2.gz GZNBRCBHGRLUDC-MCIONIFRSA-N 2 0 222.376 2.735 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460971 987821032 /nfs/dbraw/zinc/82/10/32/987821032.db2.gz MAQLGTYEVRRQLK-UKRRQHHQSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551129 987942317 /nfs/dbraw/zinc/94/23/17/987942317.db2.gz KUMZLKZYBLJHIU-STQMWFEESA-N 2 0 210.365 2.544 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551125 987946473 /nfs/dbraw/zinc/94/64/73/987946473.db2.gz KUMZLKZYBLJHIU-CHWSQXEVSA-N 2 0 210.365 2.544 20 30 BFEDRP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccc(C#N)cc1 ZINC001118122194 988029510 /nfs/dbraw/zinc/02/95/10/988029510.db2.gz QSSVZXWWZOYJKM-IUODEOHRSA-N 2 0 245.370 2.597 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246573070 988069511 /nfs/dbraw/zinc/06/95/11/988069511.db2.gz YSOQYTDRBZJMJF-RDBSUJKOSA-N 2 0 224.392 2.648 20 30 BFEDRP C[C@]1(C[NH3+])CCCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246586299 988145985 /nfs/dbraw/zinc/14/59/85/988145985.db2.gz SWUHGEVKUNILAP-YMAMQOFZSA-N 2 0 249.402 2.520 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610783 988238205 /nfs/dbraw/zinc/23/82/05/988238205.db2.gz NTGKAVZNMVQHST-GJZGRUSLSA-N 2 0 236.403 2.807 20 30 BFEDRP C=C1C[C@@H]2CC([N@H+](C)C[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246813313 988496768 /nfs/dbraw/zinc/49/67/68/988496768.db2.gz ICRDOMAVPNREOK-JZWPEALZSA-N 2 0 248.414 2.663 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001326036044 989335511 /nfs/dbraw/zinc/33/55/11/989335511.db2.gz OJLGKPBIZGMQNS-QWHCGFSZSA-N 2 0 212.381 2.709 20 30 BFEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC001308987484 991254377 /nfs/dbraw/zinc/25/43/77/991254377.db2.gz OCKJMMLHNZMPEE-ZIAGYGMSSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001560623176 991524647 /nfs/dbraw/zinc/52/46/47/991524647.db2.gz QXERVOGKGJECJG-LYYZXLFJSA-N 2 0 248.414 2.661 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCCCCCC[NH3+] ZINC001258721598 991652350 /nfs/dbraw/zinc/65/23/50/991652350.db2.gz APCJOLIGZVVWBH-ZDUSSCGKSA-N 2 0 212.381 2.840 20 30 BFEDRP C#C[C@H]([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1)C(C)(C)C ZINC001574503536 992870901 /nfs/dbraw/zinc/87/09/01/992870901.db2.gz AJBUDTXPAQNKPN-TUVASFSCSA-N 2 0 248.414 2.545 20 30 BFEDRP CCCCCCC[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC000382784584 993468621 /nfs/dbraw/zinc/46/86/21/993468621.db2.gz WRGFXFWICAZCII-ZDUSSCGKSA-N 2 0 212.381 2.641 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423023831 398163228 /nfs/dbraw/zinc/16/32/28/398163228.db2.gz IEBWZJKYBVLQBN-BBRMVZONSA-N 2 0 244.382 2.678 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423174194 398164356 /nfs/dbraw/zinc/16/43/56/398164356.db2.gz BOUPROKBKWOKHK-IIAWOOMASA-N 2 0 246.398 2.889 20 30 BFEDRP C[N@H+](CCCC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602688956 349679542 /nfs/dbraw/zinc/67/95/42/349679542.db2.gz UIGQIBQSJUBSLM-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP CC1(C)CCCN1CC[NH2+]C1CCC(C#N)CC1 ZINC000602685289 349676990 /nfs/dbraw/zinc/67/69/90/349676990.db2.gz FHSVIKIDTNDJMJ-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351730380 136250754 /nfs/dbraw/zinc/25/07/54/136250754.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 2 0 248.414 2.901 20 30 BFEDRP C=C(C)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000351848530 136257428 /nfs/dbraw/zinc/25/74/28/136257428.db2.gz BPDXUCLQVLEIPI-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000635003448 345206370 /nfs/dbraw/zinc/20/63/70/345206370.db2.gz DCXFMRCJDWCQMR-BPLDGKMQSA-N 2 0 236.403 2.838 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000635017577 345216330 /nfs/dbraw/zinc/21/63/30/345216330.db2.gz FGNBFQJCKJRKJM-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000381574905 346377386 /nfs/dbraw/zinc/37/73/86/346377386.db2.gz ZJSONCUSNNVOBR-UONOGXRCSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580156067 346572379 /nfs/dbraw/zinc/57/23/79/346572379.db2.gz JDBWBCIXGTZLAQ-YIONKMFJSA-N 2 0 236.403 2.900 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322683887 259398168 /nfs/dbraw/zinc/39/81/68/259398168.db2.gz HOUAJDZMIVDBTP-RLAWYHOSSA-N 2 0 222.376 2.556 20 30 BFEDRP C=C1CC[NH+](C/C=C/C[NH+]2CCC(=C)CC2)CC1 ZINC000264492982 187398041 /nfs/dbraw/zinc/39/80/41/187398041.db2.gz SYUNMZAUIDLLSP-ONEGZZNKSA-N 2 0 246.398 2.847 20 30 BFEDRP C=CCCSCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000596649664 348605254 /nfs/dbraw/zinc/60/52/54/348605254.db2.gz DNYJQPYAQDPZFY-QWHCGFSZSA-N 2 0 242.432 2.545 20 30 BFEDRP C=CC[NH+](C)CCCCCC[N@@H+](C)CC=C ZINC000275065898 166321088 /nfs/dbraw/zinc/32/10/88/166321088.db2.gz SOFYILYQGJVSLN-UHFFFAOYSA-N 2 0 224.392 2.782 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000385039405 350752631 /nfs/dbraw/zinc/75/26/31/350752631.db2.gz NDZDBPNHHQWBCI-MELADBBJSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[NH+](CC=C)C/C=C/C[NH+](CC=C)CC=C ZINC000020230988 166332376 /nfs/dbraw/zinc/33/23/76/166332376.db2.gz GCYNFVBJYMNOLQ-MDZDMXLPSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CC[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000162645730 353323718 /nfs/dbraw/zinc/32/37/18/353323718.db2.gz AOEPSBFTDABMOU-CYBMUJFWSA-N 2 0 245.370 2.605 20 30 BFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000352046010 134046212 /nfs/dbraw/zinc/04/62/12/134046212.db2.gz JQKOMEUAMFCTGB-OAHLLOKOSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423018098 192542076 /nfs/dbraw/zinc/54/20/76/192542076.db2.gz QGPZPJKLXCAWJC-HSBZDZAISA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H](C)C[NH+](C)C ZINC000309045151 134161104 /nfs/dbraw/zinc/16/11/04/134161104.db2.gz NZHFHUNJHYVWLJ-STQMWFEESA-N 2 0 212.381 2.519 20 30 BFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423174196 192609474 /nfs/dbraw/zinc/60/94/74/192609474.db2.gz BOUPROKBKWOKHK-OFQRWUPVSA-N 2 0 246.398 2.889 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356791570 134179320 /nfs/dbraw/zinc/17/93/20/134179320.db2.gz UAZNLMQOYOPQLX-KGLIPLIRSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423259273 192655519 /nfs/dbraw/zinc/65/55/19/192655519.db2.gz NTHAIECGBAHRFD-UKRRQHHQSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260995 192656392 /nfs/dbraw/zinc/65/63/92/192656392.db2.gz RDLOAHYEIRLJFO-MELADBBJSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000230672028 357548436 /nfs/dbraw/zinc/54/84/36/357548436.db2.gz HKYPUJRVUXZLNL-CYBMUJFWSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398083653 357839797 /nfs/dbraw/zinc/83/97/97/357839797.db2.gz SQURYFPWJIOUAO-XQQFMLRXSA-N 2 0 210.365 2.591 20 30 BFEDRP C=CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000304193217 134236773 /nfs/dbraw/zinc/23/67/73/134236773.db2.gz AWDWCPJIJOQTFG-ZIAGYGMSSA-N 2 0 216.328 2.687 20 30 BFEDRP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000211865937 134242157 /nfs/dbraw/zinc/24/21/57/134242157.db2.gz KDKHXISUDOTOQR-GDBMZVCRSA-N 2 0 244.382 2.772 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423390926 192762990 /nfs/dbraw/zinc/76/29/90/192762990.db2.gz WMXXIINNCJLNEQ-IHRRRGAJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431809 192766582 /nfs/dbraw/zinc/76/65/82/192766582.db2.gz VONCWUHUMGHSFU-LXTVHRRPSA-N 2 0 238.419 2.942 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423434549 192768210 /nfs/dbraw/zinc/76/82/10/192768210.db2.gz ODDVOMGBJRBWTD-YNEHKIRRSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000629509686 361103850 /nfs/dbraw/zinc/10/38/50/361103850.db2.gz HLVRHTXBQDBJRW-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C[C@H]([NH2+]CCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706036 367140405 /nfs/dbraw/zinc/14/04/05/367140405.db2.gz QNWNALLZGMATJI-KBPBESRZSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581549079 367578176 /nfs/dbraw/zinc/57/81/76/367578176.db2.gz QPSHYOXFHKZTLJ-HNNXBMFYSA-N 2 0 232.371 2.980 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581549080 367578380 /nfs/dbraw/zinc/57/83/80/367578380.db2.gz QPSHYOXFHKZTLJ-OAHLLOKOSA-N 2 0 232.371 2.980 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000581736724 367799992 /nfs/dbraw/zinc/79/99/92/367799992.db2.gz GKVFPCZOIJYXQZ-UONOGXRCSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000631222354 372245441 /nfs/dbraw/zinc/24/54/41/372245441.db2.gz WKSDQHRIBFPPJV-CHWSQXEVSA-N 2 0 224.392 2.519 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000313503649 384435308 /nfs/dbraw/zinc/43/53/08/384435308.db2.gz LZQLTFXDXIPIFS-RRFJBIMHSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726718 384482420 /nfs/dbraw/zinc/48/24/20/384482420.db2.gz WEFIHSTZDKGVBT-ZIAGYGMSSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726698 384483979 /nfs/dbraw/zinc/48/39/79/384483979.db2.gz WEFIHSTZDKGVBT-KGLIPLIRSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423372856 384847860 /nfs/dbraw/zinc/84/78/60/384847860.db2.gz HIBZNCGQLAAKJN-MELADBBJSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000423385979 384853719 /nfs/dbraw/zinc/85/37/19/384853719.db2.gz LPLVHKOGCNDICH-MJBXVCDLSA-N 2 0 222.376 2.591 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000340430519 385062713 /nfs/dbraw/zinc/06/27/13/385062713.db2.gz XPZIIEPMIZWHEM-CHWSQXEVSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000309045149 385389684 /nfs/dbraw/zinc/38/96/84/385389684.db2.gz NZHFHUNJHYVWLJ-OLZOCXBDSA-N 2 0 212.381 2.519 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000581707429 385706934 /nfs/dbraw/zinc/70/69/34/385706934.db2.gz AVLCWOMVOXLKHT-CQSZACIVSA-N 2 0 224.392 2.759 20 30 BFEDRP N#CC1CCC(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335023179 385982679 /nfs/dbraw/zinc/98/26/79/385982679.db2.gz OMVAUXCCWGKHDR-NEXFUWMNSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000453378832 386493542 /nfs/dbraw/zinc/49/35/42/386493542.db2.gz ZSJLGAMPCLVALL-WTXIUTQJSA-N 2 0 248.414 2.946 20 30 BFEDRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000453401598 386577164 /nfs/dbraw/zinc/57/71/64/386577164.db2.gz MXAZFFCHCBQLFM-UONOGXRCSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977043 386572509 /nfs/dbraw/zinc/57/25/09/386572509.db2.gz XKMFQAUNOBJXES-GJZGRUSLSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCCC[NH3+])c1ccco1 ZINC000423319893 387162358 /nfs/dbraw/zinc/16/23/58/387162358.db2.gz FOOOKHGIVZKWEU-GFCCVEGCSA-N 2 0 222.332 2.615 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423324830 387167989 /nfs/dbraw/zinc/16/79/89/387167989.db2.gz JCDMGVFBVQAGRV-LBPRGKRZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423325971 387230525 /nfs/dbraw/zinc/23/05/25/387230525.db2.gz KGSWAQHSHFNTQX-CYBMUJFWSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449016 387298025 /nfs/dbraw/zinc/29/80/25/387298025.db2.gz VUHFEHXGHDLWNG-NZBPQXDJSA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423557652 387375466 /nfs/dbraw/zinc/37/54/66/387375466.db2.gz NLDNGZFCTHTWJD-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423487558 387333409 /nfs/dbraw/zinc/33/34/09/387333409.db2.gz CROJELNHMACXCG-HZSPNIEDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423489109 387333577 /nfs/dbraw/zinc/33/35/77/387333577.db2.gz WAXMSDUWZWWPCY-LSDHHAIUSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423487559 387333953 /nfs/dbraw/zinc/33/39/53/387333953.db2.gz CROJELNHMACXCG-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000527923249 387791861 /nfs/dbraw/zinc/79/18/61/387791861.db2.gz CZKYVTDGMDPOSS-OCCSQVGLSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643478027 387801082 /nfs/dbraw/zinc/80/10/82/387801082.db2.gz OOSWGEZYIBFHFY-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422999394 387804163 /nfs/dbraw/zinc/80/41/63/387804163.db2.gz SMBYENOJVJRRQD-BBRMVZONSA-N 2 0 244.382 2.891 20 30 BFEDRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000423000097 387804817 /nfs/dbraw/zinc/80/48/17/387804817.db2.gz URXWOWYQHORRCO-HIFRSBDPSA-N 2 0 245.370 2.748 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422999397 387805225 /nfs/dbraw/zinc/80/52/25/387805225.db2.gz SMBYENOJVJRRQD-XJKSGUPXSA-N 2 0 244.382 2.891 20 30 BFEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781155 387839379 /nfs/dbraw/zinc/83/93/79/387839379.db2.gz HVQYZJPLVHSCPE-DZGCQCFKSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781158 387839427 /nfs/dbraw/zinc/83/94/27/387839427.db2.gz HVQYZJPLVHSCPE-HIFRSBDPSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781162 387840008 /nfs/dbraw/zinc/84/00/08/387840008.db2.gz HVQYZJPLVHSCPE-ZFWWWQNUSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535309 387862712 /nfs/dbraw/zinc/86/27/12/387862712.db2.gz BDTANGMVVYOIPJ-KGLIPLIRSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535310 387863120 /nfs/dbraw/zinc/86/31/20/387863120.db2.gz BDTANGMVVYOIPJ-UONOGXRCSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423129813 387906958 /nfs/dbraw/zinc/90/69/58/387906958.db2.gz FPRQIFQZOHXOHP-STQMWFEESA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423168847 387955106 /nfs/dbraw/zinc/95/51/06/387955106.db2.gz YVWHIYRYDYFPOU-ZIAGYGMSSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423177688 387963898 /nfs/dbraw/zinc/96/38/98/387963898.db2.gz HMKWCAGRRPUSCP-ZBFHGGJFSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CCC[C@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000423213306 387994828 /nfs/dbraw/zinc/99/48/28/387994828.db2.gz JPLLLHVMYJLQGM-RUXDESIVSA-N 2 0 222.376 2.591 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423216666 387999541 /nfs/dbraw/zinc/99/95/41/387999541.db2.gz SHPXVJOFZCGANP-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246437 388030142 /nfs/dbraw/zinc/03/01/42/388030142.db2.gz KAZWVGHXURXINO-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000453401597 388073322 /nfs/dbraw/zinc/07/33/22/388073322.db2.gz MXAZFFCHCBQLFM-KGLIPLIRSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561236 388232852 /nfs/dbraw/zinc/23/28/52/388232852.db2.gz SPIQVAWRLYKCBU-UUQIVFDPSA-N 2 0 236.403 2.802 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287304 388543693 /nfs/dbraw/zinc/54/36/93/388543693.db2.gz FPHJKNRRKKYLBU-AWEZNQCLSA-N 2 0 233.359 2.876 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CC1 ZINC000245954812 388611544 /nfs/dbraw/zinc/61/15/44/388611544.db2.gz QJLMPXHTBAPJIS-UKRRQHHQSA-N 2 0 236.403 2.663 20 30 BFEDRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C#N)cc1 ZINC000423447009 388692314 /nfs/dbraw/zinc/69/23/14/388692314.db2.gz CYSCWMGVZIIJMX-SWLSCSKDSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000228825030 388774356 /nfs/dbraw/zinc/77/43/56/388774356.db2.gz CXPMFIJUJOEGIW-KGLIPLIRSA-N 2 0 224.392 2.661 20 30 BFEDRP C=C(C)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000352124190 533484085 /nfs/dbraw/zinc/48/40/85/533484085.db2.gz WXRXAGRZVUSHRJ-UHFFFAOYSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676414 134226722 /nfs/dbraw/zinc/22/67/22/134226722.db2.gz KMYHTZJHEHCOTQ-ZNMIVQPWSA-N 2 0 236.403 2.948 20 30 BFEDRP C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185775199 134394719 /nfs/dbraw/zinc/39/47/19/134394719.db2.gz KPKDDHYFUZOFRA-KKUMJFAQSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000126867592 134610288 /nfs/dbraw/zinc/61/02/88/134610288.db2.gz STEYIIFECGGHAM-CYBMUJFWSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366536077 135088389 /nfs/dbraw/zinc/08/83/89/135088389.db2.gz YBOSFDJCQXCXDE-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340702277 135227478 /nfs/dbraw/zinc/22/74/78/135227478.db2.gz YLMMOMIBVPOISE-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000309307073 397857617 /nfs/dbraw/zinc/85/76/17/397857617.db2.gz NIENJHPPPZBREF-AGUYFDCRSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CC[N@H+](C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884922 397925985 /nfs/dbraw/zinc/92/59/85/397925985.db2.gz LBWHHIKAZIMHAV-HNNXBMFYSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000651967541 409806817 /nfs/dbraw/zinc/80/68/17/409806817.db2.gz JUTVVGDAYVSNBI-MJBXVCDLSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744670 410380302 /nfs/dbraw/zinc/38/03/02/410380302.db2.gz TYFKWHRDSJPEBA-CYBMUJFWSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000126733267 166299952 /nfs/dbraw/zinc/29/99/52/166299952.db2.gz TTYKYKBCUGCMBO-AWEZNQCLSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000651668243 411134090 /nfs/dbraw/zinc/13/40/90/411134090.db2.gz CYYSLOZIYYPSIJ-ZIAGYGMSSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000651706093 411137233 /nfs/dbraw/zinc/13/72/33/411137233.db2.gz SIDYKCISVHTOAN-HIFRSBDPSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000651706094 411137272 /nfs/dbraw/zinc/13/72/72/411137272.db2.gz SIDYKCISVHTOAN-UKRRQHHQSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401049139 411174262 /nfs/dbraw/zinc/17/42/62/411174262.db2.gz SITFWPIYEDTUAF-GBJTYRQASA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000656787209 411365390 /nfs/dbraw/zinc/36/53/90/411365390.db2.gz GZGRAJRBLHKPRI-RRFJBIMHSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655803232 411518313 /nfs/dbraw/zinc/51/83/13/411518313.db2.gz OBQIAQCQSXEWAV-BYNSBNAKSA-N 2 0 236.403 2.661 20 30 BFEDRP C=CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657584153 411554962 /nfs/dbraw/zinc/55/49/62/411554962.db2.gz ZKUPKNQDETXJIT-UHFFFAOYSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000657814856 411604277 /nfs/dbraw/zinc/60/42/77/411604277.db2.gz ADBGFCSYRWUEHV-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000661852306 411903283 /nfs/dbraw/zinc/90/32/83/411903283.db2.gz QFONVZBDULLONL-AWEZNQCLSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662299814 412086629 /nfs/dbraw/zinc/08/66/29/412086629.db2.gz XNPIUPDYYZGCFE-LSDHHAIUSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662299809 412087566 /nfs/dbraw/zinc/08/75/66/412087566.db2.gz XNPIUPDYYZGCFE-CABCVRRESA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314635 412095997 /nfs/dbraw/zinc/09/59/97/412095997.db2.gz PMQMEHFAGXTTFE-ZIAGYGMSSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CCCC1 ZINC000665249359 412194639 /nfs/dbraw/zinc/19/46/39/412194639.db2.gz OLGURHKJARLSBV-LBPRGKRZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651676336 487815230 /nfs/dbraw/zinc/81/52/30/487815230.db2.gz WVXIGMPMEUWYFQ-ILXRZTDVSA-N 2 0 248.414 2.805 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651676339 487815335 /nfs/dbraw/zinc/81/53/35/487815335.db2.gz WVXIGMPMEUWYFQ-RBSFLKMASA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562533357 323023215 /nfs/dbraw/zinc/02/32/15/323023215.db2.gz NLPVXFCGKDLHHH-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000570827307 323071934 /nfs/dbraw/zinc/07/19/34/323071934.db2.gz QAWNNJMIVDRVFN-QWHCGFSZSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000121087683 324003546 /nfs/dbraw/zinc/00/35/46/324003546.db2.gz JBWABAIRIUOOHZ-ZFWWWQNUSA-N 2 0 236.403 2.663 20 30 BFEDRP CCC#C[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000677133162 487980222 /nfs/dbraw/zinc/98/02/22/487980222.db2.gz KPKIVWKOXVCPAN-OAHLLOKOSA-N 2 0 248.414 2.596 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341448804 534358871 /nfs/dbraw/zinc/35/88/71/534358871.db2.gz DHBNFECZOGVAMM-ZQDZILKHSA-N 2 0 236.403 2.804 20 30 BFEDRP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358615500 534374024 /nfs/dbraw/zinc/37/40/24/534374024.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(CC)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000358627950 534382382 /nfs/dbraw/zinc/38/23/82/534382382.db2.gz YBMLHLIHQWHEIW-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000340422391 534555230 /nfs/dbraw/zinc/55/52/30/534555230.db2.gz AIVUSUAGHPSLPO-KBPBESRZSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354226542 534711701 /nfs/dbraw/zinc/71/17/01/534711701.db2.gz WOCMQRKKJRHYHP-ZIAGYGMSSA-N 2 0 224.392 2.757 20 30 BFEDRP C=C(C)C[NH+](CC)CC#CC[N@@H+](CC)CC(=C)C ZINC000472757653 526547463 /nfs/dbraw/zinc/54/74/63/526547463.db2.gz XSMQHIHCZNYISV-UHFFFAOYSA-N 2 0 248.414 2.786 20 30 BFEDRP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000872139741 583948048 /nfs/dbraw/zinc/94/80/48/583948048.db2.gz OZOSVSRRGHWLAF-KKUMJFAQSA-N 2 0 248.414 2.641 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381727 584576754 /nfs/dbraw/zinc/57/67/54/584576754.db2.gz FSIPTHQVNQJEPU-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903431061 584761602 /nfs/dbraw/zinc/76/16/02/584761602.db2.gz KZKLNONKYALGGV-JKSUJKDBSA-N 2 0 244.382 2.802 20 30 BFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716544 584791785 /nfs/dbraw/zinc/79/17/85/584791785.db2.gz OSSLPZTYKPOBQZ-KBPBESRZSA-N 2 0 249.402 2.520 20 30 BFEDRP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764811 584797148 /nfs/dbraw/zinc/79/71/48/584797148.db2.gz BNJGRCZFTBHKMJ-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccncc1 ZINC000817894223 586834079 /nfs/dbraw/zinc/83/40/79/586834079.db2.gz KGHCOUMLGYQEJS-DZGCQCFKSA-N 2 0 247.386 2.806 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000817962464 586852429 /nfs/dbraw/zinc/85/24/29/586852429.db2.gz MRXGQULHCOZDPR-QWHCGFSZSA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000817962465 586852501 /nfs/dbraw/zinc/85/25/01/586852501.db2.gz MRXGQULHCOZDPR-STQMWFEESA-N 2 0 212.381 2.696 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000817978466 586861248 /nfs/dbraw/zinc/86/12/48/586861248.db2.gz BRJPKMUKHJCKLW-AVGNSLFASA-N 2 0 212.381 2.837 20 30 BFEDRP C#CC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000829811237 587518910 /nfs/dbraw/zinc/51/89/10/587518910.db2.gz ZVZYWAAZNSVKDB-INIZCTEOSA-N 2 0 248.414 2.598 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000863539465 589296686 /nfs/dbraw/zinc/29/66/86/589296686.db2.gz CNHKCWCEWXGZIS-VXGBXAGGSA-N 2 0 200.370 2.672 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546820 589298075 /nfs/dbraw/zinc/29/80/75/589298075.db2.gz MUCLNFMEBRDVDT-HZSPNIEDSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156014 589886013 /nfs/dbraw/zinc/88/60/13/589886013.db2.gz COOBNIORMUTIRP-HIFRSBDPSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000873279463 590017737 /nfs/dbraw/zinc/01/77/37/590017737.db2.gz IUNCUQOBWSBXSK-NEPJUHHUSA-N 2 0 212.381 2.694 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876936228 590259134 /nfs/dbraw/zinc/25/91/34/590259134.db2.gz TUNKGLZLAZVBHO-CVEARBPZSA-N 2 0 248.414 2.787 20 30 BFEDRP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877070150 590277244 /nfs/dbraw/zinc/27/72/44/590277244.db2.gz LMSVBFCKOYDVMW-CABCVRRESA-N 2 0 236.403 2.642 20 30 BFEDRP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877070153 590277377 /nfs/dbraw/zinc/27/73/77/590277377.db2.gz LMSVBFCKOYDVMW-LSDHHAIUSA-N 2 0 236.403 2.642 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149351 590506066 /nfs/dbraw/zinc/50/60/66/590506066.db2.gz WHNVUELNVTWUSW-UONOGXRCSA-N 2 0 224.392 2.615 20 30 BFEDRP C#CCCCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000878550331 590590521 /nfs/dbraw/zinc/59/05/21/590590521.db2.gz SRBWPAAPTZXIGZ-UHFFFAOYSA-N 2 0 236.403 2.598 20 30 BFEDRP C=CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948915 590895887 /nfs/dbraw/zinc/89/58/87/590895887.db2.gz OHITYUPYQCRZBP-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259050 590979215 /nfs/dbraw/zinc/97/92/15/590979215.db2.gz LHWLOONZIZRNOS-UONOGXRCSA-N 2 0 245.370 2.557 20 30 BFEDRP C=C(CC)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261866 590980812 /nfs/dbraw/zinc/98/08/12/590980812.db2.gz ZCBYMWSKOKONFM-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429436 591660746 /nfs/dbraw/zinc/66/07/46/591660746.db2.gz VWMPRSDTIGLGLK-RRFJBIMHSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C(C)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134943 592448707 /nfs/dbraw/zinc/44/87/07/592448707.db2.gz SUROYJWFEONIHZ-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136025 592451376 /nfs/dbraw/zinc/45/13/76/592451376.db2.gz GQYGIZQOTGMQJT-ZIAGYGMSSA-N 2 0 245.370 2.557 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000309182938 631922766 /nfs/dbraw/zinc/92/27/66/631922766.db2.gz GBXMKRKNRRXLBN-ZIAGYGMSSA-N 2 0 224.392 2.840 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693839 634332636 /nfs/dbraw/zinc/33/26/36/634332636.db2.gz SGNZXBDTYGZSKN-HUUCEWRRSA-N 2 0 236.403 2.711 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232951822 642637671 /nfs/dbraw/zinc/63/76/71/642637671.db2.gz LSLVCRKYEWIGES-ZDUSSCGKSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925724624 646450749 /nfs/dbraw/zinc/45/07/49/646450749.db2.gz LHQHOJIIMSWJGB-CYBMUJFWSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755259 646463697 /nfs/dbraw/zinc/46/36/97/646463697.db2.gz CYURVMOZRXICBP-CYBMUJFWSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCC[C@H](C1CC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755591 646464641 /nfs/dbraw/zinc/46/46/41/646464641.db2.gz GOSYVFANAKJQHR-CQSZACIVSA-N 2 0 236.403 2.935 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756279 646464785 /nfs/dbraw/zinc/46/47/85/646464785.db2.gz KEYFXGYESUXALG-CHWSQXEVSA-N 2 0 224.392 2.790 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787111 646482414 /nfs/dbraw/zinc/48/24/14/646482414.db2.gz WSPQPAIDKPVXQD-HZSPNIEDSA-N 2 0 224.392 2.709 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000703718752 712084449 /nfs/dbraw/zinc/08/44/49/712084449.db2.gz XRVQRMKYSVSYIL-QLFBSQMISA-N 2 0 238.419 2.935 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000703727426 712085873 /nfs/dbraw/zinc/08/58/73/712085873.db2.gz MZIXFHBEAXCKKI-ZDUSSCGKSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000715054224 712505024 /nfs/dbraw/zinc/50/50/24/712505024.db2.gz PKYWBPDPHYAONE-LBPRGKRZSA-N 2 0 224.392 2.648 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000398073621 711400824 /nfs/dbraw/zinc/40/08/24/711400824.db2.gz NNESIJKXKSNCEU-CYBMUJFWSA-N 2 0 224.392 2.663 20 30 BFEDRP CCCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000703717817 712084162 /nfs/dbraw/zinc/08/41/62/712084162.db2.gz PEDVIQPMCAIWMB-NEPJUHHUSA-N 2 0 212.381 2.672 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000703718877 712084475 /nfs/dbraw/zinc/08/44/75/712084475.db2.gz ZMZJOJIPXDXBRA-STQMWFEESA-N 2 0 212.381 2.544 20 30 BFEDRP CCCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000703718756 712084535 /nfs/dbraw/zinc/08/45/35/712084535.db2.gz XRVQRMKYSVSYIL-RRFJBIMHSA-N 2 0 238.419 2.935 20 30 BFEDRP C=CC[NH+](CC=C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710937747 712266684 /nfs/dbraw/zinc/26/66/84/712266684.db2.gz AVSDYTAMJKUKIX-UHFFFAOYSA-N 2 0 248.395 2.568 20 30 BFEDRP C=CCCC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000717908965 712733133 /nfs/dbraw/zinc/73/31/33/712733133.db2.gz MKLAEISAAASNIY-UHFFFAOYSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000381385496 965028416 /nfs/dbraw/zinc/02/84/16/965028416.db2.gz LYDMEZBLAKKUAI-PNESKVBLSA-N 2 0 210.365 2.543 20 30 BFEDRP C=CCC[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC001235701383 979131382 /nfs/dbraw/zinc/13/13/82/979131382.db2.gz ARLQUXFXSURZMH-UHFFFAOYSA-N 2 0 232.371 2.804 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383471 979877509 /nfs/dbraw/zinc/87/75/09/979877509.db2.gz PGYCHGURTHPLAV-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256565005 970862894 /nfs/dbraw/zinc/86/28/94/970862894.db2.gz ZZPDAPIPIUYQFB-HNNXBMFYSA-N 2 0 236.403 2.641 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405422511 971252980 /nfs/dbraw/zinc/25/29/80/971252980.db2.gz YDLLQENQLJLCIR-XQQFMLRXSA-N 2 0 222.376 2.591 20 30 BFEDRP C#CCCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613232 974112439 /nfs/dbraw/zinc/11/24/39/974112439.db2.gz HYVXYQYIZACYFO-UHFFFAOYSA-N 2 0 236.403 2.641 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+](C)C[C@H](C)C[NH3+])C[C@H](C1)C2 ZINC001257887533 971517486 /nfs/dbraw/zinc/51/74/86/971517486.db2.gz CNVWJLWIJIPSBS-JKXDFHQYSA-N 2 0 236.403 2.648 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220453 972220971 /nfs/dbraw/zinc/22/09/71/972220971.db2.gz JUGAKWINQLUTKE-KBXIAJHMSA-N 2 0 238.419 2.933 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210473173 957760604 /nfs/dbraw/zinc/76/06/04/957760604.db2.gz BIJGKKOXDDJZDH-AWEZNQCLSA-N 2 0 224.392 2.807 20 30 BFEDRP C=CCCCCCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465556 972502291 /nfs/dbraw/zinc/50/22/91/972502291.db2.gz UNVGURSLBPRWPZ-OAHLLOKOSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994967 963180345 /nfs/dbraw/zinc/18/03/45/963180345.db2.gz RRQKIXZEFPRVOR-YIONKMFJSA-N 2 0 234.387 2.510 20 30 BFEDRP C=CCCCCCC[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269687 968187073 /nfs/dbraw/zinc/18/70/73/968187073.db2.gz ROXVSJSANCBWMJ-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=C(C)c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001240836681 968754470 /nfs/dbraw/zinc/75/44/70/968754470.db2.gz WRKZQFJTIOXLQO-UHFFFAOYSA-N 2 0 244.382 2.890 20 30 BFEDRP C=CCCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001209207947 969396025 /nfs/dbraw/zinc/39/60/25/969396025.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390274 970128179 /nfs/dbraw/zinc/12/81/79/970128179.db2.gz ANGUBUJHJULBDL-MRXNPFEDSA-N 2 0 244.382 2.817 20 30 BFEDRP C#CC(CC)(CC)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255939893 970573532 /nfs/dbraw/zinc/57/35/32/970573532.db2.gz LIIYCBWTFYSGJA-AWEZNQCLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H](C1)C2 ZINC001246640363 973059149 /nfs/dbraw/zinc/05/91/49/973059149.db2.gz SXZIFYJYTXBZJD-GZNJTBKBSA-N 2 0 246.398 2.558 20 30 BFEDRP C=C1C[C@@H]2CC([N@H+](C)C[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246813314 973112125 /nfs/dbraw/zinc/11/21/25/973112125.db2.gz ICRDOMAVPNREOK-LSVZVQIISA-N 2 0 248.414 2.663 20 30 BFEDRP C#CC(C)(C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613988 974115959 /nfs/dbraw/zinc/11/59/59/974115959.db2.gz SNTZAYTUEYBYLX-UHFFFAOYSA-N 2 0 236.403 2.639 20 30 BFEDRP CCCCCCC[C@@H](CC)[NH2+]CCOCC[NH3+] ZINC001172347567 974618496 /nfs/dbraw/zinc/61/84/96/974618496.db2.gz XAWUOVVXAOJUQJ-CQSZACIVSA-N 2 0 244.423 2.690 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172479343 974778857 /nfs/dbraw/zinc/77/88/57/974778857.db2.gz IIMKNRRIHIUDJW-ZDUSSCGKSA-N 2 0 237.391 2.531 20 30 BFEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172489300 974834504 /nfs/dbraw/zinc/83/45/04/974834504.db2.gz QAHQWLYXANTIRD-MGPQQGTHSA-N 2 0 237.391 2.531 20 30 BFEDRP N#CCC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC001173324208 975271376 /nfs/dbraw/zinc/27/13/76/975271376.db2.gz JMMZXBYFSKNCSH-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP C=CCC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC001176770900 978183923 /nfs/dbraw/zinc/18/39/23/978183923.db2.gz BABCHEYODOYWKT-CABCVRRESA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994539 978945665 /nfs/dbraw/zinc/94/56/65/978945665.db2.gz ULXBVECKGWFERT-OAHLLOKOSA-N 2 0 236.403 2.808 20 30 BFEDRP CCCCCCCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023478 978954291 /nfs/dbraw/zinc/95/42/91/978954291.db2.gz BLOHXWKJXIVFDJ-UHFFFAOYSA-N 2 0 224.392 2.642 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030938 978954433 /nfs/dbraw/zinc/95/44/33/978954433.db2.gz IYSLMOUOURWYBV-OAHLLOKOSA-N 2 0 236.403 2.808 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235255996 979011158 /nfs/dbraw/zinc/01/11/58/979011158.db2.gz DXYWEOBGQYRYKW-KGLIPLIRSA-N 2 0 224.392 2.641 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337283 979028733 /nfs/dbraw/zinc/02/87/33/979028733.db2.gz IKBZRYRIBSIDJM-AWEZNQCLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763334 982417808 /nfs/dbraw/zinc/41/78/08/982417808.db2.gz PCBSRYPKLVKNRF-GFCCVEGCSA-N 2 0 246.345 2.649 20 30 BFEDRP CCCCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001201797772 983478255 /nfs/dbraw/zinc/47/82/55/983478255.db2.gz FOTYYXUDVMHKGG-UHFFFAOYSA-N 2 0 238.419 2.984 20 30 BFEDRP C=CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274962835 984420357 /nfs/dbraw/zinc/42/03/57/984420357.db2.gz VWTNLLLKVILGSA-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001258718127 986044864 /nfs/dbraw/zinc/04/48/64/986044864.db2.gz HOUAJDZMIVDBTP-YIYPIFLZSA-N 2 0 222.376 2.556 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCNCc1ccccc1 ZINC001246173078 987538089 /nfs/dbraw/zinc/53/80/89/987538089.db2.gz YYHYRQSXWPXPFQ-CQSZACIVSA-N 2 0 232.371 2.721 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@@]3(C)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246216003 987614682 /nfs/dbraw/zinc/61/46/82/987614682.db2.gz CGTJXHSLXPIEET-QXULXFAOSA-N 2 0 248.414 2.711 20 30 BFEDRP C=CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246491744 987846881 /nfs/dbraw/zinc/84/68/81/987846881.db2.gz SWTNEUJXVGCBQL-OAHLLOKOSA-N 2 0 230.355 2.645 20 30 BFEDRP C[C@@]1([NH3+])CCC[N@@H+](C2CCC(CC#N)CC2)CC1 ZINC001246554454 987963196 /nfs/dbraw/zinc/96/31/96/987963196.db2.gz VEHNGAONDNMWTP-YMAMQOFZSA-N 2 0 249.402 2.662 20 30 BFEDRP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246594334 988185770 /nfs/dbraw/zinc/18/57/70/988185770.db2.gz PZPVMWLADPAYHG-KBPBESRZSA-N 2 0 237.391 2.520 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611460 988236218 /nfs/dbraw/zinc/23/62/18/988236218.db2.gz TZTLVACDAJPUHC-KGLIPLIRSA-N 2 0 222.376 2.559 20 30 BFEDRP C=C1C[C@@H]2CC([N@H+](C)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246694218 988444227 /nfs/dbraw/zinc/44/42/27/988444227.db2.gz MOBCHCKYXCPTLV-MZBDJJRSSA-N 2 0 248.414 2.805 20 30 BFEDRP CCCCCCC[N@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246777513 988453757 /nfs/dbraw/zinc/45/37/57/988453757.db2.gz MLJWZOCTJUUQDW-QDMKHBRRSA-N 2 0 238.419 2.887 20 30 BFEDRP C=C1C[C@@H]2CC([N@H+]3CCC[C@H]3CC[NH3+])C[C@H](C1)C2 ZINC001246849227 988561189 /nfs/dbraw/zinc/56/11/89/988561189.db2.gz YXTLXJZVYKQNBK-QGPPMGRFSA-N 2 0 248.414 2.935 20 30 BFEDRP CCCCCCC[C@H](C)[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946682 988779021 /nfs/dbraw/zinc/77/90/21/988779021.db2.gz HHKYJSWSKJDACZ-BYNSBNAKSA-N 2 0 238.419 2.885 20 30 BFEDRP C=CC[N@@H+]([C@@H](C)CC[NH2+]C)C1CCCCC1 ZINC001246944273 988780068 /nfs/dbraw/zinc/78/00/68/988780068.db2.gz BTSBPZQUMQFYJW-ZDUSSCGKSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246948498 988786279 /nfs/dbraw/zinc/78/62/79/988786279.db2.gz KKIPNBNIHMXCCE-UKRRQHHQSA-N 2 0 236.403 2.948 20 30 BFEDRP C#CC[N@@H+](CCC=C)C1CC[NH+](CCC=C)CC1 ZINC001119320823 988941997 /nfs/dbraw/zinc/94/19/97/988941997.db2.gz YUAXABLSUKXPCW-UHFFFAOYSA-N 2 0 246.398 2.538 20 30 BFEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001258723104 991657182 /nfs/dbraw/zinc/65/71/82/991657182.db2.gz RTAJTORNMSBCID-ZDUSSCGKSA-N 2 0 236.403 2.935 20 30 BFEDRP C=CCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001258730835 991673110 /nfs/dbraw/zinc/67/31/10/991673110.db2.gz OUOVQHJXJOAUJH-ZDUSSCGKSA-N 2 0 224.392 2.615 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001258766509 991726054 /nfs/dbraw/zinc/72/60/54/991726054.db2.gz WXSVOFGKLRWPIK-OKILXGFUSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574907716 992940639 /nfs/dbraw/zinc/94/06/39/992940639.db2.gz YVYRXKQICBOOIT-HNNXBMFYSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000349457330 136352089 /nfs/dbraw/zinc/35/20/89/136352089.db2.gz OEDUGSMZNVDPAU-CYBMUJFWSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733235 344113259 /nfs/dbraw/zinc/11/32/59/344113259.db2.gz ANDZBFZPDMYVLO-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635005804 345210132 /nfs/dbraw/zinc/21/01/32/345210132.db2.gz KDABESOVUUDKOH-ZBFHGGJFSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013504 345218436 /nfs/dbraw/zinc/21/84/36/345218436.db2.gz YSAYYQZJOANZHH-IHRRRGAJSA-N 2 0 238.419 2.955 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000635020120 345222706 /nfs/dbraw/zinc/22/27/06/345222706.db2.gz JUGBGSARHMSWFC-OLZOCXBDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000635020153 345223222 /nfs/dbraw/zinc/22/32/22/345223222.db2.gz KLSPAKJNRUGMDI-STQMWFEESA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000381574904 346377234 /nfs/dbraw/zinc/37/72/34/346377234.db2.gz ZJSONCUSNNVOBR-KGLIPLIRSA-N 2 0 226.408 2.909 20 30 BFEDRP C=C(C)C[N@@H+](CC)CCC[NH+](CC)CC ZINC000191408085 347351743 /nfs/dbraw/zinc/35/17/43/347351743.db2.gz UCFXJZJBBNSOPZ-UHFFFAOYSA-N 2 0 212.381 2.616 20 30 BFEDRP C=C(C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590819006 347568771 /nfs/dbraw/zinc/56/87/71/347568771.db2.gz RDGFTJCSTXPZHF-UHFFFAOYSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCCSCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000596649663 348605010 /nfs/dbraw/zinc/60/50/10/348605010.db2.gz DNYJQPYAQDPZFY-OLZOCXBDSA-N 2 0 242.432 2.545 20 30 BFEDRP C=CCCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070593287 350026260 /nfs/dbraw/zinc/02/62/60/350026260.db2.gz LOMLRSVMOBOQJP-UONOGXRCSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000606897937 350623649 /nfs/dbraw/zinc/62/36/49/350623649.db2.gz ODWYEWWKBUAQLF-UHFFFAOYSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(C)C[N@@H+](C)CCCc1nccn1CCC ZINC000191478608 353481134 /nfs/dbraw/zinc/48/11/34/353481134.db2.gz ZWSWWFXFWLAVSY-UHFFFAOYSA-N 2 0 235.375 2.734 20 30 BFEDRP C=C(C[NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000423029170 192545398 /nfs/dbraw/zinc/54/53/98/192545398.db2.gz RUPSXVVDVVAACN-CQSZACIVSA-N 2 0 232.371 2.807 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355581736 134173986 /nfs/dbraw/zinc/17/39/86/134173986.db2.gz KJJPKUGJWNDCEM-NFOMZHRRSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656200511 538784484 /nfs/dbraw/zinc/78/44/84/538784484.db2.gz NYHDCIXVLFLSLB-SOUVJXGZSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423259272 192656646 /nfs/dbraw/zinc/65/66/46/192656646.db2.gz NTHAIECGBAHRFD-HIFRSBDPSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252806 192653196 /nfs/dbraw/zinc/65/31/96/192653196.db2.gz UUPLPBJMEISURN-KGLIPLIRSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000126767340 358554665 /nfs/dbraw/zinc/55/46/65/358554665.db2.gz VVMWZLSEULBMBL-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491880 192794362 /nfs/dbraw/zinc/79/43/62/192794362.db2.gz ZVOSLDKVVOXSGA-MJBXVCDLSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000309215194 491146430 /nfs/dbraw/zinc/14/64/30/491146430.db2.gz PALSQRKOSYYONW-ZDUSSCGKSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000309215192 491146449 /nfs/dbraw/zinc/14/64/49/491146449.db2.gz PALSQRKOSYYONW-CYBMUJFWSA-N 2 0 224.392 2.663 20 30 BFEDRP C=C(C)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532825 361301177 /nfs/dbraw/zinc/30/11/77/361301177.db2.gz WQIUEVOHDUJCRZ-UHFFFAOYSA-N 2 0 224.392 2.760 20 30 BFEDRP CC[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1CC ZINC000574658153 365116773 /nfs/dbraw/zinc/11/67/73/365116773.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 2 0 248.414 2.739 20 30 BFEDRP C[C@@H]([NH2+]CCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706012 367140889 /nfs/dbraw/zinc/14/08/89/367140889.db2.gz QNWNALLZGMATJI-ZIAGYGMSSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000384878547 367749093 /nfs/dbraw/zinc/74/90/93/367749093.db2.gz SYNUTCHKDPEASC-UHFFFAOYSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546197 384018895 /nfs/dbraw/zinc/01/88/95/384018895.db2.gz KDHMGUFHNFMBPU-MJBXVCDLSA-N 2 0 236.403 2.851 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000313503647 384433957 /nfs/dbraw/zinc/43/39/57/384433957.db2.gz LZQLTFXDXIPIFS-RBSFLKMASA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367597363 384492663 /nfs/dbraw/zinc/49/26/63/384492663.db2.gz MSOQWWQFEAARHC-ZNMIVQPWSA-N 2 0 236.403 2.805 20 30 BFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000335059663 385960180 /nfs/dbraw/zinc/96/01/80/385960180.db2.gz MLWIYRZDLXWJDK-KBPBESRZSA-N 2 0 249.402 2.710 20 30 BFEDRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000453401599 386575889 /nfs/dbraw/zinc/57/58/89/386575889.db2.gz MXAZFFCHCBQLFM-ZIAGYGMSSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000336664124 386756887 /nfs/dbraw/zinc/75/68/87/386756887.db2.gz XGKZFFJQRHOIOJ-BFHYXJOUSA-N 2 0 238.419 2.907 20 30 BFEDRP C=CCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366882199 386771690 /nfs/dbraw/zinc/77/16/90/386771690.db2.gz KPHMTKRBEZKBLR-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192932739 386798850 /nfs/dbraw/zinc/79/88/50/386798850.db2.gz NBMBYIBWKYRVGL-LJISPDSOSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CC1 ZINC000423316369 387157507 /nfs/dbraw/zinc/15/75/07/387157507.db2.gz ANTVNNFXEOXDAA-CQSZACIVSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000120117389 387174079 /nfs/dbraw/zinc/17/40/79/387174079.db2.gz YRRYXFJRKYKJGP-CJNGLKHVSA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccco1 ZINC000423343628 387193675 /nfs/dbraw/zinc/19/36/75/387193675.db2.gz MCWCQAGHDIEJLP-AWEZNQCLSA-N 2 0 246.354 2.796 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423334637 387181236 /nfs/dbraw/zinc/18/12/36/387181236.db2.gz QXCKRICUTFSXRU-KGLIPLIRSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC1=CC[NH2+]CC1 ZINC000423343664 387191765 /nfs/dbraw/zinc/19/17/65/387191765.db2.gz METVZVRWVAZPAE-CQSZACIVSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423352352 387202332 /nfs/dbraw/zinc/20/23/32/387202332.db2.gz KHCRCSVHKWFEEZ-ZDUSSCGKSA-N 2 0 222.376 2.631 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423373646 387230555 /nfs/dbraw/zinc/23/05/55/387230555.db2.gz HXHXLRRWEJSBBB-GFCCVEGCSA-N 2 0 230.355 2.734 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH2+]CC ZINC000423377755 387258875 /nfs/dbraw/zinc/25/88/75/387258875.db2.gz FGXLKAAOXFXCMU-CHWSQXEVSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423386756 387270275 /nfs/dbraw/zinc/27/02/75/387270275.db2.gz RPUZMNCOCKRBHV-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449018 387298159 /nfs/dbraw/zinc/29/81/59/387298159.db2.gz VUHFEHXGHDLWNG-RJZRQDKASA-N 2 0 236.403 2.565 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)CCC[NH3+] ZINC000423451979 387299846 /nfs/dbraw/zinc/29/98/46/387299846.db2.gz JERCVRPSCNJVDD-OLZOCXBDSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423460190 387309077 /nfs/dbraw/zinc/30/90/77/387309077.db2.gz MAYGMRAMWJHKJG-FQUUOJAGSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423481328 387363649 /nfs/dbraw/zinc/36/36/49/387363649.db2.gz OASKTXWGECCMIS-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423538487 387364251 /nfs/dbraw/zinc/36/42/51/387364251.db2.gz GKUUOSDXQZNPRE-FPCVCCKLSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491878 387336382 /nfs/dbraw/zinc/33/63/82/387336382.db2.gz ZVOSLDKVVOXSGA-IHRRRGAJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527927058 387792704 /nfs/dbraw/zinc/79/27/04/387792704.db2.gz QYVMUGHDMGGTQL-STQMWFEESA-N 2 0 224.392 2.519 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527927993 387792755 /nfs/dbraw/zinc/79/27/55/387792755.db2.gz SPEJQLFNXONKSW-KBPBESRZSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423044835 387855619 /nfs/dbraw/zinc/85/56/19/387855619.db2.gz BFRPFIVNJGGIGL-CHWSQXEVSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423046758 387857178 /nfs/dbraw/zinc/85/71/78/387857178.db2.gz FFIMLULDPZZRIM-GOEBONIOSA-N 2 0 246.398 2.891 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000423154899 387934675 /nfs/dbraw/zinc/93/46/75/387934675.db2.gz KHIPFIYYEOYZBK-KGLIPLIRSA-N 2 0 236.403 2.840 20 30 BFEDRP C=CCC1(C[NH2+][C@@H](C)CCC[NH3+])CCCC1 ZINC000423163943 387945663 /nfs/dbraw/zinc/94/56/63/387945663.db2.gz RVUGROVTJHBSBY-ZDUSSCGKSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000438984036 387972713 /nfs/dbraw/zinc/97/27/13/387972713.db2.gz DHCKEWPJYWNKQF-RCBQFDQVSA-N 2 0 248.414 2.804 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423216665 388000754 /nfs/dbraw/zinc/00/07/54/388000754.db2.gz SHPXVJOFZCGANP-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccco1 ZINC000423223672 388005108 /nfs/dbraw/zinc/00/51/08/388005108.db2.gz HBVCQWVNAQFHTA-NWDGAFQWSA-N 2 0 222.332 2.614 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372464 387996568 /nfs/dbraw/zinc/99/65/68/387996568.db2.gz HUXMUWGMYKBMNL-JHJVBQTASA-N 2 0 210.365 2.591 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260994 388041122 /nfs/dbraw/zinc/04/11/22/388041122.db2.gz RDLOAHYEIRLJFO-IHRRRGAJSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423267997 388047769 /nfs/dbraw/zinc/04/77/69/388047769.db2.gz DDJLXSNZGWGJMG-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423270524 388049687 /nfs/dbraw/zinc/04/96/87/388049687.db2.gz GNEZNAPVBOSDAY-XUXIUFHCSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000449060019 388136756 /nfs/dbraw/zinc/13/67/56/388136756.db2.gz CEQHDDOLPIDYJG-CYBMUJFWSA-N 2 0 212.381 2.663 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449445577 388207830 /nfs/dbraw/zinc/20/78/30/388207830.db2.gz JZAYXAZLPDFNHO-ZFWWWQNUSA-N 2 0 249.402 2.531 20 30 BFEDRP C=C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000489484734 388217626 /nfs/dbraw/zinc/21/76/26/388217626.db2.gz XOTHMGNMKZEFPI-ZIAGYGMSSA-N 2 0 222.376 2.511 20 30 BFEDRP CC[C@@H](NC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000423279833 388690064 /nfs/dbraw/zinc/69/00/64/388690064.db2.gz SPUQQSXJEBXGQH-HUUCEWRRSA-N 2 0 245.370 2.582 20 30 BFEDRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C#N)cc1 ZINC000423447016 388692668 /nfs/dbraw/zinc/69/26/68/388692668.db2.gz CYSCWMGVZIIJMX-WFASDCNBSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865337 389049589 /nfs/dbraw/zinc/04/95/89/389049589.db2.gz VMLILOQMLVOKCO-HOCLYGCPSA-N 2 0 244.382 2.673 20 30 BFEDRP C=C(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000352028581 134044454 /nfs/dbraw/zinc/04/44/54/134044454.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000304189234 134236975 /nfs/dbraw/zinc/23/69/75/134236975.db2.gz ABUNZUKMROMMTJ-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000185774975 134394580 /nfs/dbraw/zinc/39/45/80/134394580.db2.gz GSRBYFMBYQNLIV-SOUVJXGZSA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(C)CN1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000122360786 135227334 /nfs/dbraw/zinc/22/73/34/135227334.db2.gz PFLOWPHEPCYSHX-HNNXBMFYSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748427 410389931 /nfs/dbraw/zinc/38/99/31/410389931.db2.gz UFRMCXZKZQFSSM-ZDUSSCGKSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000651748686 411141164 /nfs/dbraw/zinc/14/11/64/411141164.db2.gz UNVYQLTWLSXIMX-HIFRSBDPSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000651822759 411146030 /nfs/dbraw/zinc/14/60/30/411146030.db2.gz JOKXSSJGLNAFDM-YZDRTPDPSA-N 2 0 248.414 2.946 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000651822754 411146135 /nfs/dbraw/zinc/14/61/35/411146135.db2.gz JOKXSSJGLNAFDM-BLNMRFBMSA-N 2 0 248.414 2.946 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000310576935 411242709 /nfs/dbraw/zinc/24/27/09/411242709.db2.gz PWWLLNDWXHNTMT-CYBMUJFWSA-N 2 0 238.419 2.909 20 30 BFEDRP C=CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563373 411203653 /nfs/dbraw/zinc/20/36/53/411203653.db2.gz ORRIJBCVJPLVAO-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCCCC[NH2+][C@@H](C)c1cnccc1N ZINC000656201316 411206083 /nfs/dbraw/zinc/20/60/83/411206083.db2.gz VLZYCWHOEYVJMW-LBPRGKRZSA-N 2 0 233.359 2.891 20 30 BFEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000656787207 411365420 /nfs/dbraw/zinc/36/54/20/411365420.db2.gz GZGRAJRBLHKPRI-KFWWJZLASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000656792637 411372195 /nfs/dbraw/zinc/37/21/95/411372195.db2.gz UTWISLCOKMMYKW-KGLIPLIRSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)n1C ZINC000657529857 411544448 /nfs/dbraw/zinc/54/44/48/411544448.db2.gz JNNXNUYLVJIHLC-UKRRQHHQSA-N 2 0 247.386 2.953 20 30 BFEDRP C=CCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661306 411614443 /nfs/dbraw/zinc/61/44/43/411614443.db2.gz CFKDLDFQMIMFMJ-OAHLLOKOSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CCCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663507458 411689568 /nfs/dbraw/zinc/68/95/68/411689568.db2.gz PWGHOSKVTQGCTM-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000665235987 412175862 /nfs/dbraw/zinc/17/58/62/412175862.db2.gz DZUWSYQDEPIFBN-KBPBESRZSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000651681175 487816862 /nfs/dbraw/zinc/81/68/62/487816862.db2.gz GGCVVDLFJGJSCH-KFWWJZLASA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995220 487925091 /nfs/dbraw/zinc/92/50/91/487925091.db2.gz GPCJIGCJWAYIPV-CHWSQXEVSA-N 2 0 222.376 2.605 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570827300 323071932 /nfs/dbraw/zinc/07/19/32/323071932.db2.gz QAWNNJMIVDRVFN-CHWSQXEVSA-N 2 0 210.365 2.592 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000530209407 323209870 /nfs/dbraw/zinc/20/98/70/323209870.db2.gz HGLBGFLRUAKVEK-OLZOCXBDSA-N 2 0 224.392 2.696 20 30 BFEDRP C=CCCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000566778548 326081949 /nfs/dbraw/zinc/08/19/49/326081949.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000568511206 326361542 /nfs/dbraw/zinc/36/15/42/326361542.db2.gz QZCCIPPKTASTIH-GFCCVEGCSA-N 2 0 218.344 2.590 20 30 BFEDRP C=C(CC)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000358515234 534370976 /nfs/dbraw/zinc/37/09/76/534370976.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(CC)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000358500241 534396940 /nfs/dbraw/zinc/39/69/40/534396940.db2.gz PSVDSIHBVXJNAP-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=C(CC)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000358500243 534398002 /nfs/dbraw/zinc/39/80/02/534398002.db2.gz PSVDSIHBVXJNAP-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000309241238 534690456 /nfs/dbraw/zinc/69/04/56/534690456.db2.gz WVXFMLPAOYSAMT-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081516779 534720890 /nfs/dbraw/zinc/72/08/90/534720890.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377531 527468140 /nfs/dbraw/zinc/46/81/40/527468140.db2.gz RICAPWINAWHHMP-BFHYXJOUSA-N 2 0 224.392 2.981 20 30 BFEDRP C=C(C)C[NH+](C)[C@H](C)CC[N@H+](C)CC(=C)C ZINC000351093043 538700421 /nfs/dbraw/zinc/70/04/21/538700421.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 2 0 224.392 2.781 20 30 BFEDRP C#CCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511243 583378192 /nfs/dbraw/zinc/37/81/92/583378192.db2.gz BTYIENKHYWTVBJ-HNNXBMFYSA-N 2 0 236.403 2.596 20 30 BFEDRP C#CCCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878661526 583390449 /nfs/dbraw/zinc/39/04/49/583390449.db2.gz DJFPNLFZZZKSJR-MRXNPFEDSA-N 2 0 248.414 2.598 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880136734 583471638 /nfs/dbraw/zinc/47/16/38/583471638.db2.gz RBIZSAQGRXUVKI-HUUCEWRRSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381729 584576801 /nfs/dbraw/zinc/57/68/01/584576801.db2.gz FSIPTHQVNQJEPU-QWHCGFSZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473275 584602326 /nfs/dbraw/zinc/60/23/26/584602326.db2.gz WRVNQAUBEMNCHL-YIYPIFLZSA-N 2 0 222.376 2.604 20 30 BFEDRP N#CC1CCC(C[N@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000903451824 584771919 /nfs/dbraw/zinc/77/19/19/584771919.db2.gz DYDBUKAVFKVESF-NRXISQOPSA-N 2 0 249.402 2.520 20 30 BFEDRP N#CC1(CCCC[N@H+]2CCC[C@H](C[NH3+])C2)CCC1 ZINC000903713656 584793469 /nfs/dbraw/zinc/79/34/69/584793469.db2.gz YWFVEIUODPCMKF-CQSZACIVSA-N 2 0 249.402 2.521 20 30 BFEDRP C=CCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815009 584800761 /nfs/dbraw/zinc/80/07/61/584800761.db2.gz PBOYAMRLGYYHKH-CQSZACIVSA-N 2 0 236.403 2.936 20 30 BFEDRP C=CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814040 584803682 /nfs/dbraw/zinc/80/36/82/584803682.db2.gz JFVYOMFJAVOJMP-ZDUSSCGKSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CC[N@H+](Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312096 584863060 /nfs/dbraw/zinc/86/30/60/584863060.db2.gz GGRWLWVVNFAAEF-XBXGTLAGSA-N 2 0 248.345 2.551 20 30 BFEDRP C=CC[N@@H+](CCC[NH+](CC)CC)C(C)C ZINC000754987758 585292871 /nfs/dbraw/zinc/29/28/71/585292871.db2.gz ARCPIXSLLQUZHC-UHFFFAOYSA-N 2 0 212.381 2.615 20 30 BFEDRP C=C(CC)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179337 586165644 /nfs/dbraw/zinc/16/56/44/586165644.db2.gz IXPFJVGKIFUQHV-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP CCCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817914282 586839395 /nfs/dbraw/zinc/83/93/95/586839395.db2.gz YAXPQPRFXQCFIU-OLZOCXBDSA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817933003 586843306 /nfs/dbraw/zinc/84/33/06/586843306.db2.gz ZHOWFEVYBBHUQY-KBPBESRZSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000817964597 586854368 /nfs/dbraw/zinc/85/43/68/586854368.db2.gz CTYZMYRHKREDQK-OCCSQVGLSA-N 2 0 224.392 2.838 20 30 BFEDRP C#CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000829779291 587515717 /nfs/dbraw/zinc/51/57/17/587515717.db2.gz QDLFPASQRXSDPA-HZPDHXFCSA-N 2 0 248.414 2.596 20 30 BFEDRP CCCCCCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000109144493 588523977 /nfs/dbraw/zinc/52/39/77/588523977.db2.gz BKWOUDUEWGBOBN-UHFFFAOYSA-N 2 0 226.408 2.888 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267590 590015441 /nfs/dbraw/zinc/01/54/41/590015441.db2.gz GVTIUQRAGQXEMK-RWMBFGLXSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000873279464 590017319 /nfs/dbraw/zinc/01/73/19/590017319.db2.gz IUNCUQOBWSBXSK-NWDGAFQWSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000873279465 590017461 /nfs/dbraw/zinc/01/74/61/590017461.db2.gz IUNCUQOBWSBXSK-RYUDHWBXSA-N 2 0 212.381 2.694 20 30 BFEDRP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000876943296 590259343 /nfs/dbraw/zinc/25/93/43/590259343.db2.gz OZCLZHMZQAGFSV-HNNXBMFYSA-N 2 0 236.403 2.502 20 30 BFEDRP C#CCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000877546318 590352659 /nfs/dbraw/zinc/35/26/59/590352659.db2.gz QOFWYIKKLILOFI-INIZCTEOSA-N 2 0 248.414 2.598 20 30 BFEDRP C#CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877571135 590362282 /nfs/dbraw/zinc/36/22/82/590362282.db2.gz WVIMZYOJVVAQBT-MQVJKMGUSA-N 2 0 248.414 2.785 20 30 BFEDRP C=CC[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439015 591667107 /nfs/dbraw/zinc/66/71/07/591667107.db2.gz HBXYCNNXOSCRQQ-JSGCOSHPSA-N 2 0 224.392 2.648 20 30 BFEDRP C=C(Cl)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000134792322 591950216 /nfs/dbraw/zinc/95/02/16/591950216.db2.gz BDNJJQRHVZDNMH-UHFFFAOYSA-N 2 0 247.729 2.714 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886719601 592310070 /nfs/dbraw/zinc/31/00/70/592310070.db2.gz AMWSZLKUUPYQHR-AWEZNQCLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=C(C)CC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716322 592310335 /nfs/dbraw/zinc/31/03/35/592310335.db2.gz VUOFKDYPOILIBN-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133267 592448872 /nfs/dbraw/zinc/44/88/72/592448872.db2.gz XUGQZHMQYPRCEK-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125531661 634530641 /nfs/dbraw/zinc/53/06/41/634530641.db2.gz OSSQORTWZATSSZ-ZDUSSCGKSA-N 2 0 212.381 2.628 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925731939 634570308 /nfs/dbraw/zinc/57/03/08/634570308.db2.gz VYJLDTSXJOFAGE-XPABHHOTSA-N 2 0 248.414 2.565 20 30 BFEDRP C=CCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925655814 634218354 /nfs/dbraw/zinc/21/83/54/634218354.db2.gz WPDNQHFZQFOJQJ-LSDHHAIUSA-N 2 0 236.403 2.711 20 30 BFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000925681284 634281155 /nfs/dbraw/zinc/28/11/55/634281155.db2.gz NCASUILRFDGJEM-RFQIPJPRSA-N 2 0 249.402 2.564 20 30 BFEDRP C=CCCC[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000904472000 637426112 /nfs/dbraw/zinc/42/61/12/637426112.db2.gz KQRRHBCTNZFPQA-KGLIPLIRSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@@H]1CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934460959 641155026 /nfs/dbraw/zinc/15/50/26/641155026.db2.gz LIPJRDGQUXTDJH-CQSZACIVSA-N 2 0 222.376 2.513 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252786468 644906674 /nfs/dbraw/zinc/90/66/74/644906674.db2.gz VNUJNKQXRCGSIE-QWHCGFSZSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925684575 646410605 /nfs/dbraw/zinc/41/06/05/646410605.db2.gz BHXBXXJOISKVGN-KBPBESRZSA-N 2 0 248.414 2.982 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925836360 646504939 /nfs/dbraw/zinc/50/49/39/646504939.db2.gz ZYQUBKSIEWGSJP-HUUCEWRRSA-N 2 0 236.403 2.982 20 30 BFEDRP C[C@@H]([NH2+]CCCC#N)c1cccc(C[NH+](C)C)c1 ZINC000926131830 646582124 /nfs/dbraw/zinc/58/21/24/646582124.db2.gz HBXDAKGVQNPQQJ-CYBMUJFWSA-N 2 0 245.370 2.703 20 30 BFEDRP C=C(Cl)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925568781 711702157 /nfs/dbraw/zinc/70/21/57/711702157.db2.gz MUMBAYXMYJSZRF-ZDUSSCGKSA-N 2 0 238.762 2.809 20 30 BFEDRP C=C(Cl)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925568780 711702578 /nfs/dbraw/zinc/70/25/78/711702578.db2.gz MUMBAYXMYJSZRF-CYBMUJFWSA-N 2 0 238.762 2.809 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000703717482 712084257 /nfs/dbraw/zinc/08/42/57/712084257.db2.gz NPHHAQFVPUDIEI-ZIAGYGMSSA-N 2 0 226.408 2.935 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000704006602 712095806 /nfs/dbraw/zinc/09/58/06/712095806.db2.gz VJCGUXVMJYYJPL-STQMWFEESA-N 2 0 236.403 2.838 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000703726124 712085935 /nfs/dbraw/zinc/08/59/35/712085935.db2.gz CYJKKPSKKWLXMC-OLZOCXBDSA-N 2 0 212.381 2.674 20 30 BFEDRP C=CCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001209440461 957474115 /nfs/dbraw/zinc/47/41/15/957474115.db2.gz KWQVHPWWHVEFNN-GASCZTMLSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255525 967447290 /nfs/dbraw/zinc/44/72/90/967447290.db2.gz JVKCIHOQKHJFDZ-ZDUSSCGKSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CC[C@H](CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001205551243 967693023 /nfs/dbraw/zinc/69/30/23/967693023.db2.gz PHAHOIQZSXNQMB-AWEZNQCLSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602754 981168166 /nfs/dbraw/zinc/16/81/66/981168166.db2.gz MESLOUNBGLMCGY-UONOGXRCSA-N 2 0 224.392 2.650 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201798252 983474929 /nfs/dbraw/zinc/47/49/29/983474929.db2.gz SQINQSTVQVZEBV-HUUCEWRRSA-N 2 0 238.419 2.840 20 30 BFEDRP CCCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201798504 983478032 /nfs/dbraw/zinc/47/80/32/983478032.db2.gz WTYVOKJJCJUUQB-GASCZTMLSA-N 2 0 238.419 2.840 20 30 BFEDRP CCC(CC)N/C(C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257294466 971180000 /nfs/dbraw/zinc/18/00/00/971180000.db2.gz NUGBSKJBQKSJCJ-UHFFFAOYSA-N 2 0 247.386 2.842 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156943 974331961 /nfs/dbraw/zinc/33/19/61/974331961.db2.gz UPINLQUYDLYBJN-QWHCGFSZSA-N 2 0 230.371 2.718 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246105909 972168544 /nfs/dbraw/zinc/16/85/44/972168544.db2.gz BUWOJDKGMRLSLP-ZIAGYGMSSA-N 2 0 226.408 2.935 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]C[C@H]3C)C[C@H](C1)C2 ZINC001246113726 972177317 /nfs/dbraw/zinc/17/73/17/972177317.db2.gz ZIHKSRDTHBSXIX-IWQYDBTJSA-N 2 0 248.414 2.566 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237729 972422447 /nfs/dbraw/zinc/42/24/47/972422447.db2.gz RBZSCVCJLWZQFH-CQSZACIVSA-N 2 0 222.376 2.561 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405217650 959417472 /nfs/dbraw/zinc/41/74/72/959417472.db2.gz KXDOQQDVQVAMLR-UONOGXRCSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCCCCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385375 972450794 /nfs/dbraw/zinc/45/07/94/972450794.db2.gz LGVUBZATYJGNMA-OAHLLOKOSA-N 2 0 236.403 2.951 20 30 BFEDRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695841287 960504415 /nfs/dbraw/zinc/50/44/15/960504415.db2.gz GUODLCDRIOXEEA-ZDUSSCGKSA-N 2 0 239.407 2.635 20 30 BFEDRP C=CC[NH+](CC=C)C1CCC([NH+](C)C)CC1 ZINC001168324759 964446325 /nfs/dbraw/zinc/44/63/25/964446325.db2.gz WRCQBPOAPZWSQZ-UHFFFAOYSA-N 2 0 222.376 2.533 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235978216 966192323 /nfs/dbraw/zinc/19/23/23/966192323.db2.gz JMBYZBFNZWEDQL-KBPBESRZSA-N 2 0 222.376 2.546 20 30 BFEDRP C=C[C@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001205583736 967706487 /nfs/dbraw/zinc/70/64/87/967706487.db2.gz SUYSSWBCXXFZKE-HNNXBMFYSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205905268 967880913 /nfs/dbraw/zinc/88/09/13/967880913.db2.gz ZVWVVZMXKBOXTJ-KGLIPLIRSA-N 2 0 224.392 2.792 20 30 BFEDRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cccc(C#N)c1 ZINC000843342578 967883092 /nfs/dbraw/zinc/88/30/92/967883092.db2.gz RZQUEEBZIHEEBK-CYBMUJFWSA-N 2 0 245.370 2.728 20 30 BFEDRP C=CCCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001209207107 969392543 /nfs/dbraw/zinc/39/25/43/969392543.db2.gz LXLPZBNWSHPZQA-UHFFFAOYSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCCCC[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209207949 969397488 /nfs/dbraw/zinc/39/74/88/969397488.db2.gz IFQTXJNROGNLIM-HUUCEWRRSA-N 2 0 236.403 2.616 20 30 BFEDRP C=CCCCC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209207948 969399031 /nfs/dbraw/zinc/39/90/31/969399031.db2.gz IFQTXJNROGNLIM-GJZGRUSLSA-N 2 0 236.403 2.616 20 30 BFEDRP C#CCCC[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001209267103 969419484 /nfs/dbraw/zinc/41/94/84/969419484.db2.gz ADCDBKVBARXDRI-UHFFFAOYSA-N 2 0 236.403 2.596 20 30 BFEDRP CCCCCCC[C@H](C)[NH+]1CC(C[NH2+]C)C1 ZINC001246600008 973020273 /nfs/dbraw/zinc/02/02/73/973020273.db2.gz QNIONCYRSKFTNQ-ZDUSSCGKSA-N 2 0 226.408 2.887 20 30 BFEDRP CC[NH+](CC)CCCC[NH2+][C@H](C)CCCC#N ZINC001172479969 974779339 /nfs/dbraw/zinc/77/93/39/974779339.db2.gz LRLARODYOOQVJB-CQSZACIVSA-N 2 0 239.407 2.780 20 30 BFEDRP C[C@H](CCCC#N)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172488373 974833249 /nfs/dbraw/zinc/83/32/49/974833249.db2.gz MCUZYWLTTFVPLQ-IYXRBSQSSA-N 2 0 237.391 2.566 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172488637 974833933 /nfs/dbraw/zinc/83/39/33/974833933.db2.gz VLBRBELACPLWTH-IHRRRGAJSA-N 2 0 237.391 2.531 20 30 BFEDRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(C)(C#N)CC1 ZINC001173586137 975427050 /nfs/dbraw/zinc/42/70/50/975427050.db2.gz JBKXHZIFFQAJMY-UHFFFAOYSA-N 2 0 249.402 2.661 20 30 BFEDRP C=CCC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC001176770902 978182149 /nfs/dbraw/zinc/18/21/49/978182149.db2.gz BABCHEYODOYWKT-HUUCEWRRSA-N 2 0 236.403 2.901 20 30 BFEDRP CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025446 978956268 /nfs/dbraw/zinc/95/62/68/978956268.db2.gz BBGGTJLIFRBLHF-UONOGXRCSA-N 2 0 224.392 2.641 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254496 979009421 /nfs/dbraw/zinc/00/94/21/979009421.db2.gz JMEAJTANKTWUGI-GJZGRUSLSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256001 979011290 /nfs/dbraw/zinc/01/12/90/979011290.db2.gz DXYWEOBGQYRYKW-ZIAGYGMSSA-N 2 0 224.392 2.641 20 30 BFEDRP CCCCCCCCC[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283481 979016266 /nfs/dbraw/zinc/01/62/66/979016266.db2.gz PMQYHGCRACHVKK-BTTYYORXSA-N 2 0 224.392 2.626 20 30 BFEDRP CCCCCCC[N@H+](CC)CCC[NH2+]C ZINC001235664061 979114581 /nfs/dbraw/zinc/11/45/81/979114581.db2.gz XWPASMIWDUBHDM-UHFFFAOYSA-N 2 0 214.397 2.888 20 30 BFEDRP C=C(C)[C@@H]1CC=C(CN2CCC[NH2+][C@@H](C)C2)CC1 ZINC001236099068 979388438 /nfs/dbraw/zinc/38/84/38/979388438.db2.gz WSYVHGYJNQXNBH-GOEBONIOSA-N 2 0 248.414 2.973 20 30 BFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001236603594 979675358 /nfs/dbraw/zinc/67/53/58/979675358.db2.gz AQJRUPDAFVTLPG-CVEARBPZSA-N 2 0 248.414 2.960 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383469 979878654 /nfs/dbraw/zinc/87/86/54/979878654.db2.gz PGYCHGURTHPLAV-GJZGRUSLSA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCCC[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001274962302 984416730 /nfs/dbraw/zinc/41/67/30/984416730.db2.gz JLWRZYBMMSTAPJ-KGLIPLIRSA-N 2 0 222.376 2.607 20 30 BFEDRP C=CCCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274962639 984421392 /nfs/dbraw/zinc/42/13/92/984421392.db2.gz QAJAAVZBONFZCV-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246090682 987398782 /nfs/dbraw/zinc/39/87/82/987398782.db2.gz LSFBJNRGSAQUBW-IUOOZAAYSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC001246115412 987452786 /nfs/dbraw/zinc/45/27/86/987452786.db2.gz HNRGVKZSKZTJFN-STQMWFEESA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC001246115388 987456708 /nfs/dbraw/zinc/45/67/08/987456708.db2.gz HNRGVKZSKZTJFN-OLZOCXBDSA-N 2 0 212.381 2.687 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C3(C)CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246131388 987481867 /nfs/dbraw/zinc/48/18/67/987481867.db2.gz XGUJFPLVGRMWMD-YIONKMFJSA-N 2 0 248.414 2.853 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[NH2+]CCC)C[C@H](C1)C2 ZINC001246269869 987664841 /nfs/dbraw/zinc/66/48/41/987664841.db2.gz MQKOTIHKGKIKPV-YIONKMFJSA-N 2 0 236.403 2.711 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246445893 987807174 /nfs/dbraw/zinc/80/71/74/987807174.db2.gz QNQCLOKUMMWLRB-CHWSQXEVSA-N 2 0 224.392 2.687 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612143 988236526 /nfs/dbraw/zinc/23/65/26/988236526.db2.gz HNPRVFKZVKUISY-GJZGRUSLSA-N 2 0 236.403 2.949 20 30 BFEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644048 988357868 /nfs/dbraw/zinc/35/78/68/988357868.db2.gz PCSQRWPFFPLSCQ-UONOGXRCSA-N 2 0 222.376 2.559 20 30 BFEDRP C=C(C)CC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001325785048 989256446 /nfs/dbraw/zinc/25/64/46/989256446.db2.gz AGORURFYHZXESP-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC001308987477 991255009 /nfs/dbraw/zinc/25/50/09/991255009.db2.gz OCKJMMLHNZMPEE-KBPBESRZSA-N 2 0 239.407 2.636 20 30 BFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001560623175 991523354 /nfs/dbraw/zinc/52/33/54/991523354.db2.gz QXERVOGKGJECJG-IBEHDNSVSA-N 2 0 248.414 2.661 20 30 BFEDRP C=CCC[C@@H](C)[N@H+](CC)CCC[NH+](C)C ZINC001258733970 991679093 /nfs/dbraw/zinc/67/90/93/991679093.db2.gz PMFVXJKZXFSTLO-CYBMUJFWSA-N 2 0 212.381 2.615 20 30 BFEDRP C=CCC[C@H](C)[N@H+](CC)CCC[NH+](C)C ZINC001258733971 991681421 /nfs/dbraw/zinc/68/14/21/991681421.db2.gz PMFVXJKZXFSTLO-ZDUSSCGKSA-N 2 0 212.381 2.615 20 30 BFEDRP C=CCC[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001258735658 991684031 /nfs/dbraw/zinc/68/40/31/991684031.db2.gz YLYPEYNLRUOTSW-ZIAGYGMSSA-N 2 0 222.376 2.511 20 30 BFEDRP C#C[C@](C)(CC)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902268 991896640 /nfs/dbraw/zinc/89/66/40/991896640.db2.gz RVSUJTHRYKUYGF-HUUCEWRRSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574907562 992939734 /nfs/dbraw/zinc/93/97/34/992939734.db2.gz RDGGTDZTVPSUFJ-KFWWJZLASA-N 2 0 236.403 2.996 20 30 BFEDRP C=CCCC(C)(C)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001574900325 992940302 /nfs/dbraw/zinc/94/03/02/992940302.db2.gz URSLBKAZXDTCNQ-CQSZACIVSA-N 2 0 224.392 2.568 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001574907727 992941362 /nfs/dbraw/zinc/94/13/62/992941362.db2.gz ZLPDGLCYWQFQGX-KGLIPLIRSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CCCCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001574907233 992941985 /nfs/dbraw/zinc/94/19/85/992941985.db2.gz DXHHLUKJELVJNH-UHFFFAOYSA-N 2 0 244.382 2.778 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000383646502 993508766 /nfs/dbraw/zinc/50/87/66/993508766.db2.gz CMSGWAQCBGSBGM-GJZGRUSLSA-N 2 0 238.419 2.888 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421381371 192323622 /nfs/dbraw/zinc/32/36/22/192323622.db2.gz ZMQGXACCKJYCFZ-IYXRBSQSSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421381370 192323793 /nfs/dbraw/zinc/32/37/93/192323793.db2.gz ZMQGXACCKJYCFZ-HSBZDZAISA-N 2 0 224.392 2.804 20 30 BFEDRP C[C@@H](CCC#N)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000602639189 349652680 /nfs/dbraw/zinc/65/26/80/349652680.db2.gz WGZQSOCATNOTOJ-NFOMZHRRSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226438527 398339754 /nfs/dbraw/zinc/33/97/54/398339754.db2.gz USZKUKGFACQHHC-AWEZNQCLSA-N 2 0 224.392 2.664 20 30 BFEDRP C=C(C)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000351855837 136258471 /nfs/dbraw/zinc/25/84/71/136258471.db2.gz QLBRYJLCMKUWBP-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000235726127 343058766 /nfs/dbraw/zinc/05/87/66/343058766.db2.gz NNNBTAVBLCMJIW-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP CC1(C)CC([NH2+][C@@H]2CC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885684 136357794 /nfs/dbraw/zinc/35/77/94/136357794.db2.gz MZTXJANNCRHYTN-NWDGAFQWSA-N 2 0 249.402 2.577 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733234 344113345 /nfs/dbraw/zinc/11/33/45/344113345.db2.gz ANDZBFZPDMYVLO-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000635024220 345224860 /nfs/dbraw/zinc/22/48/60/345224860.db2.gz UNRUWSZCHZXIJJ-NWDGAFQWSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005274 345209115 /nfs/dbraw/zinc/20/91/15/345209115.db2.gz ITLBVXNHXADXCW-MGPQQGTHSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008344 345216271 /nfs/dbraw/zinc/21/62/71/345216271.db2.gz SRMJPWLZTGHUQK-XUXIUFHCSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000635016507 345221686 /nfs/dbraw/zinc/22/16/86/345221686.db2.gz CGEPWIYXSCRWMS-KGLIPLIRSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513134 362939719 /nfs/dbraw/zinc/93/97/19/362939719.db2.gz JSUDYWVPZMWTHI-QWHCGFSZSA-N 2 0 224.392 2.804 20 30 BFEDRP C=CCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000117881958 350230166 /nfs/dbraw/zinc/23/01/66/350230166.db2.gz YYAFYTDLHOZLMY-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109797 353332172 /nfs/dbraw/zinc/33/21/72/353332172.db2.gz KTUJCJGQPHNASZ-INIZCTEOSA-N 2 0 244.382 2.626 20 30 BFEDRP CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000335147353 354860999 /nfs/dbraw/zinc/86/09/99/354860999.db2.gz TXOQOTVUUARCMD-FGZQJIAISA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCCCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420394853 192237040 /nfs/dbraw/zinc/23/70/40/192237040.db2.gz SCGDZSJATHSPJR-LSDHHAIUSA-N 2 0 248.345 2.518 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300225637 356487064 /nfs/dbraw/zinc/48/70/64/356487064.db2.gz TXJUOVGKRNMXET-ZIAGYGMSSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000352246031 134118643 /nfs/dbraw/zinc/11/86/43/134118643.db2.gz FSIQYFNTNPIBPB-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361441317 134205311 /nfs/dbraw/zinc/20/53/11/134205311.db2.gz UZOOFFLRDAONPL-DZGCQCFKSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017096 358080811 /nfs/dbraw/zinc/08/08/11/358080811.db2.gz CCMVNKNKXKVKNQ-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126765410 358554541 /nfs/dbraw/zinc/55/45/41/358554541.db2.gz CJOUAFWDJLAVJZ-BFHYXJOUSA-N 2 0 222.376 2.558 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629509701 361103802 /nfs/dbraw/zinc/10/38/02/361103802.db2.gz IJPKHTDWDLMFFM-MGPQQGTHSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530184 361302414 /nfs/dbraw/zinc/30/24/14/361302414.db2.gz AJZPODMSIWFOHO-UHFFFAOYSA-N 2 0 224.392 2.760 20 30 BFEDRP C=CC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000428373062 201011943 /nfs/dbraw/zinc/01/19/43/201011943.db2.gz KCUGLPSKMJNOOS-UHFFFAOYSA-N 2 0 233.340 2.552 20 30 BFEDRP CC1(C)CC[C@H]1[NH2+]CC#CC[NH2+][C@H]1CCC1(C)C ZINC000575427014 365317274 /nfs/dbraw/zinc/31/72/74/365317274.db2.gz GYXBDABRQCFSTN-OKILXGFUSA-N 2 0 248.414 2.546 20 30 BFEDRP C=CCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336667956 365346847 /nfs/dbraw/zinc/34/68/47/365346847.db2.gz QPJAKJLOQDLXME-KBPBESRZSA-N 2 0 222.376 2.559 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000384875325 367748118 /nfs/dbraw/zinc/74/81/18/367748118.db2.gz RYUNJVFOCMSCCJ-YNEHKIRRSA-N 2 0 224.392 2.517 20 30 BFEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000386645795 368006018 /nfs/dbraw/zinc/00/60/18/368006018.db2.gz AUHNCTFNSWQNMB-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000386645796 368006332 /nfs/dbraw/zinc/00/63/32/368006332.db2.gz AUHNCTFNSWQNMB-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459727044 203341664 /nfs/dbraw/zinc/34/16/64/203341664.db2.gz HBMMQCUBPSFTCG-KKUMJFAQSA-N 2 0 238.419 2.909 20 30 BFEDRP CCC[NH+](CC#CC[N@@H+](CCC)C1CC1)C1CC1 ZINC000341896176 169090999 /nfs/dbraw/zinc/09/09/99/169090999.db2.gz YBTKRNBMTUMPHL-UHFFFAOYSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546196 384018409 /nfs/dbraw/zinc/01/84/09/384018409.db2.gz KDHMGUFHNFMBPU-MELADBBJSA-N 2 0 236.403 2.851 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545750 384015265 /nfs/dbraw/zinc/01/52/65/384015265.db2.gz BNQZNYNABMSECI-KBPBESRZSA-N 2 0 236.403 2.996 20 30 BFEDRP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361239888 533050559 /nfs/dbraw/zinc/05/05/59/533050559.db2.gz AILCJAHNAMVECK-INIZCTEOSA-N 2 0 248.414 2.598 20 30 BFEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C#N)cc1 ZINC000310975355 384609234 /nfs/dbraw/zinc/60/92/34/384609234.db2.gz DBXNGCFHRTUHGV-QWHCGFSZSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336654406 385733512 /nfs/dbraw/zinc/73/35/12/385733512.db2.gz HFEJWEURHGBSGE-KGLIPLIRSA-N 2 0 236.403 2.805 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000335035914 385926178 /nfs/dbraw/zinc/92/61/78/385926178.db2.gz DQRMTICKASFCDE-ZUJMUWTESA-N 2 0 249.402 2.566 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335490944 386610487 /nfs/dbraw/zinc/61/04/87/386610487.db2.gz HNESZCITHCZHMJ-FEWQNLEASA-N 2 0 249.402 2.531 20 30 BFEDRP CC1(C#N)CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000335010145 387105483 /nfs/dbraw/zinc/10/54/83/387105483.db2.gz OIMFWQGCDGXDGJ-UHFFFAOYSA-N 2 0 249.402 2.710 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccco1 ZINC000423343631 387192334 /nfs/dbraw/zinc/19/23/34/387192334.db2.gz MCWCQAGHDIEJLP-CQSZACIVSA-N 2 0 246.354 2.796 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423408956 387246050 /nfs/dbraw/zinc/24/60/50/387246050.db2.gz YFQFKMMBOAWIFO-MELADBBJSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423433779 387285742 /nfs/dbraw/zinc/28/57/42/387285742.db2.gz NLYIPUOTZDIEFA-STQMWFEESA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423557651 387375566 /nfs/dbraw/zinc/37/55/66/387375566.db2.gz NLDNGZFCTHTWJD-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423515063 387349797 /nfs/dbraw/zinc/34/97/97/387349797.db2.gz SPHSTAFHMDSIEL-MELADBBJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423515061 387350994 /nfs/dbraw/zinc/35/09/94/387350994.db2.gz SPHSTAFHMDSIEL-BFHYXJOUSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522224 387718353 /nfs/dbraw/zinc/71/83/53/387718353.db2.gz JXUIQNPXBDAKRO-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CC(C)(C)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000527923731 387791712 /nfs/dbraw/zinc/79/17/12/387791712.db2.gz FTXZWCRPFKORNW-UHFFFAOYSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527929039 387793052 /nfs/dbraw/zinc/79/30/52/387793052.db2.gz VWIMNRWJKRFNCD-QWHCGFSZSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643478026 387801422 /nfs/dbraw/zinc/80/14/22/387801422.db2.gz OOSWGEZYIBFHFY-KGLIPLIRSA-N 2 0 224.392 2.853 20 30 BFEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422996540 387803454 /nfs/dbraw/zinc/80/34/54/387803454.db2.gz MLBUWKDJFWHGAX-YDHLFZDLSA-N 2 0 245.370 2.747 20 30 BFEDRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000423000096 387805716 /nfs/dbraw/zinc/80/57/16/387805716.db2.gz URXWOWYQHORRCO-DZGCQCFKSA-N 2 0 245.370 2.748 20 30 BFEDRP C=C(C)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423150595 387930444 /nfs/dbraw/zinc/93/04/44/387930444.db2.gz JCIFHXYXNGFQBI-ZFWWWQNUSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000423154903 387933812 /nfs/dbraw/zinc/93/38/12/387933812.db2.gz KHIPFIYYEOYZBK-ZIAGYGMSSA-N 2 0 236.403 2.840 20 30 BFEDRP C=C(CC)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423154551 387934758 /nfs/dbraw/zinc/93/47/58/387934758.db2.gz JQGDDUSJAJZUFN-UKRRQHHQSA-N 2 0 232.371 2.501 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423205266 387991004 /nfs/dbraw/zinc/99/10/04/387991004.db2.gz FCCHYIOHRFYDMC-KBPBESRZSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423208637 387993832 /nfs/dbraw/zinc/99/38/32/387993832.db2.gz DJDSGABHVNWAIV-FQUUOJAGSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246438 388030800 /nfs/dbraw/zinc/03/08/00/388030800.db2.gz KAZWVGHXURXINO-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277373 388058003 /nfs/dbraw/zinc/05/80/03/388058003.db2.gz PLLOZXTVUYFNAB-CHWSQXEVSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423267996 388045163 /nfs/dbraw/zinc/04/51/63/388045163.db2.gz DDJLXSNZGWGJMG-HZSPNIEDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423270522 388048960 /nfs/dbraw/zinc/04/89/60/388048960.db2.gz GNEZNAPVBOSDAY-IGQOVBAYSA-N 2 0 224.392 2.694 20 30 BFEDRP CC1(C#N)CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000449217826 388158357 /nfs/dbraw/zinc/15/83/57/388158357.db2.gz CBWYHIZBRHRDJK-UHFFFAOYSA-N 2 0 249.402 2.534 20 30 BFEDRP C=C(C)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449471347 388212723 /nfs/dbraw/zinc/21/27/23/388212723.db2.gz CEFDKXPDHISPBB-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C=C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000489474345 388217744 /nfs/dbraw/zinc/21/77/44/388217744.db2.gz KEWJTRGCZCBSCW-OAHLLOKOSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560718 388231522 /nfs/dbraw/zinc/23/15/22/388231522.db2.gz OUBLEXBRGXLJAF-AVOUXACISA-N 2 0 236.403 2.946 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989478 388703628 /nfs/dbraw/zinc/70/36/28/388703628.db2.gz NBMBYIBWKYRVGL-CBBWQLFWSA-N 2 0 249.402 2.531 20 30 BFEDRP C=C(C[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000268813257 389004711 /nfs/dbraw/zinc/00/47/11/389004711.db2.gz JQJNBMXTSWHCDV-UHFFFAOYSA-N 2 0 244.382 2.774 20 30 BFEDRP C=C(C)CC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000352002657 533485537 /nfs/dbraw/zinc/48/55/37/533485537.db2.gz ICHJEYYZARZJEK-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=C(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000352046008 134045931 /nfs/dbraw/zinc/04/59/31/134045931.db2.gz JQKOMEUAMFCTGB-HNNXBMFYSA-N 2 0 236.403 2.903 20 30 BFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336459343 134147798 /nfs/dbraw/zinc/14/77/98/134147798.db2.gz NACSDDHCMAZRNJ-TZMCWYRMSA-N 2 0 249.402 2.531 20 30 BFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000185760879 134393989 /nfs/dbraw/zinc/39/39/89/134393989.db2.gz FHIGLODENUKXLU-LSDHHAIUSA-N 2 0 249.402 2.534 20 30 BFEDRP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185775178 134394526 /nfs/dbraw/zinc/39/45/26/134394526.db2.gz KPKDDHYFUZOFRA-QLFBSQMISA-N 2 0 249.402 2.533 20 30 BFEDRP C=C(C)C[N@H+](C)CCCc1cnccc1C ZINC000348130327 136038064 /nfs/dbraw/zinc/03/80/64/136038064.db2.gz CMBQJULNETXHMB-UHFFFAOYSA-N 2 0 218.344 2.831 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000193347550 487610358 /nfs/dbraw/zinc/61/03/58/487610358.db2.gz KZDFZSYTGPPFDT-CQSZACIVSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000651967538 409807618 /nfs/dbraw/zinc/80/76/18/409807618.db2.gz JUTVVGDAYVSNBI-BFHYXJOUSA-N 2 0 224.392 2.519 20 30 BFEDRP C=CCC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000650763424 410414928 /nfs/dbraw/zinc/41/49/28/410414928.db2.gz ZWHAOLMPJLWVNO-OAHLLOKOSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748426 410389880 /nfs/dbraw/zinc/38/98/80/410389880.db2.gz UFRMCXZKZQFSSM-CYBMUJFWSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338562087 166264168 /nfs/dbraw/zinc/26/41/68/166264168.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 2 0 234.387 2.511 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000126753944 166301849 /nfs/dbraw/zinc/30/18/49/166301849.db2.gz LBKFXHQIGDVAIB-UONOGXRCSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281011 410757307 /nfs/dbraw/zinc/75/73/07/410757307.db2.gz RNJHNIDYGLLTGD-CHWSQXEVSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000651706095 411137258 /nfs/dbraw/zinc/13/72/58/411137258.db2.gz SIDYKCISVHTOAN-ZFWWWQNUSA-N 2 0 236.403 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865720 411147784 /nfs/dbraw/zinc/14/77/84/411147784.db2.gz FSBJVTGXLPAMGP-CQSZACIVSA-N 2 0 226.408 2.909 20 30 BFEDRP C=C(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198468 411202638 /nfs/dbraw/zinc/20/26/38/411202638.db2.gz WLLOVXFSRXMTLK-HUUCEWRRSA-N 2 0 230.355 2.559 20 30 BFEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805604 411520707 /nfs/dbraw/zinc/52/07/07/411520707.db2.gz JJGBKMPZLUYSQO-MELADBBJSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000657814858 411604200 /nfs/dbraw/zinc/60/42/00/411604200.db2.gz ADBGFCSYRWUEHV-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC000661852307 411902114 /nfs/dbraw/zinc/90/21/14/411902114.db2.gz QFONVZBDULLONL-CQSZACIVSA-N 2 0 236.403 2.949 20 30 BFEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@H](CC)C1CC1)C1CC1 ZINC000661763061 411873828 /nfs/dbraw/zinc/87/38/28/411873828.db2.gz ZYKVTUAYBYLXTO-HZPDHXFCSA-N 2 0 248.414 2.546 20 30 BFEDRP C=C(C)CC[NH2+]C(C)(C)CN(C)CCC ZINC000662178221 412020824 /nfs/dbraw/zinc/02/08/24/412020824.db2.gz RNFRCODABWESKC-UHFFFAOYSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662299811 412085925 /nfs/dbraw/zinc/08/59/25/412085925.db2.gz XNPIUPDYYZGCFE-GJZGRUSLSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 ZINC000665248335 412192131 /nfs/dbraw/zinc/19/21/31/412192131.db2.gz VEVKNBAKIGTEAM-ZDUSSCGKSA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCCC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000398054948 262942721 /nfs/dbraw/zinc/94/27/21/262942721.db2.gz DFDOOIUMWRTWJJ-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000309969259 487877428 /nfs/dbraw/zinc/87/74/28/487877428.db2.gz HUVXFGNOSVOLKI-GDBMZVCRSA-N 2 0 244.382 2.815 20 30 BFEDRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000570624394 323064822 /nfs/dbraw/zinc/06/48/22/323064822.db2.gz JGTDGGIEQCCCKL-CYBMUJFWSA-N 2 0 245.370 2.597 20 30 BFEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000120117536 323155434 /nfs/dbraw/zinc/15/54/34/323155434.db2.gz YRRYXFJRKYKJGP-CZUORRHYSA-N 2 0 248.414 2.805 20 30 BFEDRP C=C(CC)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000358489659 534371549 /nfs/dbraw/zinc/37/15/49/534371549.db2.gz KMZNHXLPCMLIDA-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000309346675 534694144 /nfs/dbraw/zinc/69/41/44/534694144.db2.gz WPEYTSLAOZFWSJ-BFHYXJOUSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081516776 534718252 /nfs/dbraw/zinc/71/82/52/534718252.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000304189235 534733565 /nfs/dbraw/zinc/73/35/65/534733565.db2.gz ABUNZUKMROMMTJ-UONOGXRCSA-N 2 0 224.392 2.853 20 30 BFEDRP C=CCC[N@@H+](C)[C@H]1CCC[NH+](CCC=C)CC1 ZINC000338568820 534770172 /nfs/dbraw/zinc/77/01/72/534770172.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 2 0 236.403 2.925 20 30 BFEDRP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880136735 583471883 /nfs/dbraw/zinc/47/18/83/583471883.db2.gz RBIZSAQGRXUVKI-LSDHHAIUSA-N 2 0 236.403 2.901 20 30 BFEDRP C=C(Cl)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000728686635 583904196 /nfs/dbraw/zinc/90/41/96/583904196.db2.gz SLDZUHRCNLQAOK-UHFFFAOYSA-N 2 0 244.810 2.791 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381730 584576641 /nfs/dbraw/zinc/57/66/41/584576641.db2.gz FSIPTHQVNQJEPU-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395725 584585475 /nfs/dbraw/zinc/58/54/75/584585475.db2.gz FGDCPNABJBZRRX-CYBMUJFWSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469314 584615261 /nfs/dbraw/zinc/61/52/61/584615261.db2.gz WRVNQAUBEMNCHL-IGQOVBAYSA-N 2 0 222.376 2.604 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902485295 584624928 /nfs/dbraw/zinc/62/49/28/584624928.db2.gz ZJDPZOYFOMBOJU-SLTAFYQDSA-N 2 0 249.402 2.581 20 30 BFEDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744284 584796431 /nfs/dbraw/zinc/79/64/31/584796431.db2.gz QTYRMZZSZIZMCF-ZIAGYGMSSA-N 2 0 249.402 2.520 20 30 BFEDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903768837 584798336 /nfs/dbraw/zinc/79/83/36/584798336.db2.gz SBFJATQAXHIVIA-ZIAGYGMSSA-N 2 0 249.402 2.662 20 30 BFEDRP C#CCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465585 585284955 /nfs/dbraw/zinc/28/49/55/585284955.db2.gz PAWFBPOGZPIHCW-GJZGRUSLSA-N 2 0 248.414 2.642 20 30 BFEDRP C=C(C)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178154 586165488 /nfs/dbraw/zinc/16/54/88/586165488.db2.gz GUOWWWWPQCFOMM-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccncc1 ZINC000817894224 586833551 /nfs/dbraw/zinc/83/35/51/586833551.db2.gz KGHCOUMLGYQEJS-HIFRSBDPSA-N 2 0 247.386 2.806 20 30 BFEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817933005 586842849 /nfs/dbraw/zinc/84/28/49/586842849.db2.gz ZHOWFEVYBBHUQY-UONOGXRCSA-N 2 0 224.392 2.982 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948768 586846885 /nfs/dbraw/zinc/84/68/85/586846885.db2.gz LJQICCLOVFOOCL-KGLIPLIRSA-N 2 0 246.398 2.878 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000817953503 586849359 /nfs/dbraw/zinc/84/93/59/586849359.db2.gz PZVBEIHQSDVPMH-QWHCGFSZSA-N 2 0 212.381 2.838 20 30 BFEDRP CC1(C#N)CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843343864 588101403 /nfs/dbraw/zinc/10/14/03/588101403.db2.gz IQVKWSFRVVOLRZ-UHFFFAOYSA-N 2 0 237.391 2.568 20 30 BFEDRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000866517778 589498938 /nfs/dbraw/zinc/49/89/38/589498938.db2.gz MPOPXZCHEACOJA-JLVJUDLZSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156013 589886428 /nfs/dbraw/zinc/88/64/28/589886428.db2.gz COOBNIORMUTIRP-DZGCQCFKSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258627 590012897 /nfs/dbraw/zinc/01/28/97/590012897.db2.gz SXGBWWWYHPSVJI-IHRRRGAJSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271325 590016267 /nfs/dbraw/zinc/01/62/67/590016267.db2.gz GVTIUQRAGQXEMK-AVGNSLFASA-N 2 0 224.392 2.565 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CNCC[C@@H]1C ZINC000873280671 590017480 /nfs/dbraw/zinc/01/74/80/590017480.db2.gz USYZINIJUYBLHH-STQMWFEESA-N 2 0 224.392 2.566 20 30 BFEDRP C#CCCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000877020646 590270123 /nfs/dbraw/zinc/27/01/23/590270123.db2.gz AWQNDBGUWPWOFK-UHFFFAOYSA-N 2 0 236.403 2.502 20 30 BFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073816 590278250 /nfs/dbraw/zinc/27/82/50/590278250.db2.gz SPKOTPSUATXAQN-CVSAEHQPSA-N 2 0 249.402 2.531 20 30 BFEDRP CCCCCCCC[NH2+]CC1([NH3+])CCC1 ZINC000126910579 590495381 /nfs/dbraw/zinc/49/53/81/590495381.db2.gz RMJXYBUOCWJUAP-UHFFFAOYSA-N 2 0 212.381 2.818 20 30 BFEDRP C=C(CC)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249897 590720892 /nfs/dbraw/zinc/72/08/92/590720892.db2.gz FIYSRBGTFGGWFJ-UHFFFAOYSA-N 2 0 236.403 2.760 20 30 BFEDRP C#CCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886535413 592251105 /nfs/dbraw/zinc/25/11/05/592251105.db2.gz ZTAUCIHPUGTWHC-UHFFFAOYSA-N 2 0 248.414 2.787 20 30 BFEDRP C=CCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133266 592449395 /nfs/dbraw/zinc/44/93/95/592449395.db2.gz XUGQZHMQYPRCEK-AWEZNQCLSA-N 2 0 245.370 2.558 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158149506 631826802 /nfs/dbraw/zinc/82/68/02/631826802.db2.gz RBMOKXTZFNNBSM-CQSZACIVSA-N 2 0 226.408 2.840 20 30 BFEDRP C=CCC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000310553218 632756101 /nfs/dbraw/zinc/75/61/01/632756101.db2.gz HAXNRASXSRAIFU-UHFFFAOYSA-N 2 0 224.392 2.520 20 30 BFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701673 634376273 /nfs/dbraw/zinc/37/62/73/634376273.db2.gz CYTIWZLIZXOJRE-QWHCGFSZSA-N 2 0 222.376 2.592 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164668719 640495916 /nfs/dbraw/zinc/49/59/16/640495916.db2.gz NLAUCWSWXOTRPO-ZIAGYGMSSA-N 2 0 226.408 2.874 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000817980303 644992176 /nfs/dbraw/zinc/99/21/76/644992176.db2.gz UBHFJQZRYOAQKO-CHWSQXEVSA-N 2 0 212.381 2.838 20 30 BFEDRP C=CCCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925641461 646383830 /nfs/dbraw/zinc/38/38/30/646383830.db2.gz MZYWOAICMKQAFB-IHRRRGAJSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925678209 646407771 /nfs/dbraw/zinc/40/77/71/646407771.db2.gz SOLHLEXXCOZXNO-ZDUSSCGKSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925709487 646434358 /nfs/dbraw/zinc/43/43/58/646434358.db2.gz UVSGOFDOYLXPDP-AWEZNQCLSA-N 2 0 218.344 2.632 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925730063 646454450 /nfs/dbraw/zinc/45/44/50/646454450.db2.gz NJFYWGYGZZSUGS-ZDUSSCGKSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@@H](C1CC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755590 646464021 /nfs/dbraw/zinc/46/40/21/646464021.db2.gz GOSYVFANAKJQHR-AWEZNQCLSA-N 2 0 236.403 2.935 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925793786 646485256 /nfs/dbraw/zinc/48/52/56/646485256.db2.gz BEWLSDOIEGLQEW-BPLDGKMQSA-N 2 0 236.403 2.566 20 30 BFEDRP C=CC[C@H](CC)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926351716 646623665 /nfs/dbraw/zinc/62/36/65/646623665.db2.gz SBCFOOCTVRPIRO-SOUVJXGZSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000701907227 712031803 /nfs/dbraw/zinc/03/18/03/712031803.db2.gz YCJYZQVSKNLRPO-AGUYFDCRSA-N 2 0 236.403 2.804 20 30 BFEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000715055912 712505019 /nfs/dbraw/zinc/50/50/19/712505019.db2.gz ZNZKNZVTDBHKDM-HIFRSBDPSA-N 2 0 236.403 2.663 20 30 BFEDRP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000724570712 710742533 /nfs/dbraw/zinc/74/25/33/710742533.db2.gz GRGJDDMLSDWFRB-HZPDHXFCSA-N 2 0 248.414 2.949 20 30 BFEDRP CCCCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000703717479 712084292 /nfs/dbraw/zinc/08/42/92/712084292.db2.gz NPHHAQFVPUDIEI-KBPBESRZSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000703717819 712084357 /nfs/dbraw/zinc/08/43/57/712084357.db2.gz PEDVIQPMCAIWMB-RYUDHWBXSA-N 2 0 212.381 2.672 20 30 BFEDRP CCCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000703718267 712084433 /nfs/dbraw/zinc/08/44/33/712084433.db2.gz UKTUEGUJTUXRGD-OLZOCXBDSA-N 2 0 224.392 2.816 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000704037131 712099077 /nfs/dbraw/zinc/09/90/77/712099077.db2.gz BBMFWMFEPUOJMQ-LXFSFDBISA-N 2 0 248.414 2.565 20 30 BFEDRP C=CCCCCCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC001236885793 966614625 /nfs/dbraw/zinc/61/46/25/966614625.db2.gz SBEYYVKSHUKPGK-ZDUSSCGKSA-N 2 0 212.381 2.792 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205905272 967881716 /nfs/dbraw/zinc/88/17/16/967881716.db2.gz ZVWVVZMXKBOXTJ-ZIAGYGMSSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209432450 969504719 /nfs/dbraw/zinc/50/47/19/969504719.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 0 236.403 2.759 20 30 BFEDRP C[N@@H+]1CCC[C@@H]([NH2+]CCCCCCS)CC1 ZINC001254511676 969684542 /nfs/dbraw/zinc/68/45/42/969684542.db2.gz CDZJXHGDEVLVRD-CYBMUJFWSA-N 2 0 244.448 2.551 20 30 BFEDRP C=CCCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255948045 970583551 /nfs/dbraw/zinc/58/35/51/970583551.db2.gz DATCOXFIGKNWBJ-CYBMUJFWSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CC[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173114482 975025752 /nfs/dbraw/zinc/02/57/52/975025752.db2.gz MDDMLBRVAWGRPQ-UHFFFAOYSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025958 978954963 /nfs/dbraw/zinc/95/49/63/978954963.db2.gz HLHUOJMIDBIAGS-LSDHHAIUSA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCC[N@H+](C)CCC[NH+](C)C ZINC001201761763 983465772 /nfs/dbraw/zinc/46/57/72/983465772.db2.gz RLTSHNVLRDCIPZ-UHFFFAOYSA-N 2 0 214.397 2.840 20 30 BFEDRP C#C[C@H]1CCC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256573417 970865886 /nfs/dbraw/zinc/86/58/86/970865886.db2.gz IORIKFWIAVUZCF-AWEZNQCLSA-N 2 0 248.414 2.595 20 30 BFEDRP CCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403290164 970901571 /nfs/dbraw/zinc/90/15/71/970901571.db2.gz VZOSXSPIJXDUNN-GFCCVEGCSA-N 2 0 248.361 2.873 20 30 BFEDRP CCC[C@@H](C)N/C(C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257317458 971216668 /nfs/dbraw/zinc/21/66/68/971216668.db2.gz ZOARBPUMOCCCSL-GFCCVEGCSA-N 2 0 247.386 2.842 20 30 BFEDRP C#CCCC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162068 972400836 /nfs/dbraw/zinc/40/08/36/972400836.db2.gz XFIXSBSDLBWSCS-INIZCTEOSA-N 2 0 248.414 2.646 20 30 BFEDRP C=CCCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405217651 959413778 /nfs/dbraw/zinc/41/37/78/959413778.db2.gz KXDOQQDVQVAMLR-ZIAGYGMSSA-N 2 0 236.403 2.982 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265260 972432052 /nfs/dbraw/zinc/43/20/52/972432052.db2.gz QGIRLLBFDNLPGQ-OAHLLOKOSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465555 972500878 /nfs/dbraw/zinc/50/08/78/972500878.db2.gz UNVGURSLBPRWPZ-HNNXBMFYSA-N 2 0 236.403 2.951 20 30 BFEDRP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709789761 961586222 /nfs/dbraw/zinc/58/62/22/961586222.db2.gz MXRMUPVGFPHMAI-OAHLLOKOSA-N 2 0 236.403 2.808 20 30 BFEDRP C=CCCCCCCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763407 963376875 /nfs/dbraw/zinc/37/68/75/963376875.db2.gz JDVWGZIPSDYZHA-AWEZNQCLSA-N 2 0 224.392 2.936 20 30 BFEDRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001168297515 964387113 /nfs/dbraw/zinc/38/71/13/964387113.db2.gz AIXGAKXXJWKYPA-DGKWVBSXSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CCCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC001205025660 967298085 /nfs/dbraw/zinc/29/80/85/967298085.db2.gz BDTHTVFFXGJYAC-UHFFFAOYSA-N 2 0 224.392 2.794 20 30 BFEDRP CC[NH+](CC)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC001173104462 975021885 /nfs/dbraw/zinc/02/18/85/975021885.db2.gz QAXBNKSKTUHHMX-UHFFFAOYSA-N 2 0 249.402 2.533 20 30 BFEDRP C=CCC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC001176770903 978184739 /nfs/dbraw/zinc/18/47/39/978184739.db2.gz BABCHEYODOYWKT-LSDHHAIUSA-N 2 0 236.403 2.901 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241829 979001901 /nfs/dbraw/zinc/00/19/01/979001901.db2.gz ZLPDGLCYWQFQGX-ZIAGYGMSSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235253710 979008518 /nfs/dbraw/zinc/00/85/18/979008518.db2.gz DIKITGMLWDHDTC-KKUMJFAQSA-N 2 0 236.403 2.935 20 30 BFEDRP C=CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254494 979012081 /nfs/dbraw/zinc/01/20/81/979012081.db2.gz JMEAJTANKTWUGI-CABCVRRESA-N 2 0 236.403 2.807 20 30 BFEDRP CCCCCCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712020 979128299 /nfs/dbraw/zinc/12/82/99/979128299.db2.gz XYNZABRXJYTXHL-UHFFFAOYSA-N 2 0 224.392 2.642 20 30 BFEDRP C=CCCN(Cc1ccccc1)C[C@@H]([NH3+])CC ZINC001235701936 979131057 /nfs/dbraw/zinc/13/10/57/979131057.db2.gz DYRVHKIMJNCQKF-HNNXBMFYSA-N 2 0 232.371 2.802 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235893963 979187176 /nfs/dbraw/zinc/18/71/76/979187176.db2.gz YVGQUBMJEBIYNH-UONOGXRCSA-N 2 0 224.392 2.935 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235930999 979215530 /nfs/dbraw/zinc/21/55/30/979215530.db2.gz ZFNUETVQPJDQEO-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCCCCCC[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236866309 979771645 /nfs/dbraw/zinc/77/16/45/979771645.db2.gz YYDIYMYXYIRBJP-ZDUSSCGKSA-N 2 0 212.381 2.792 20 30 BFEDRP N#C[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638171 986683869 /nfs/dbraw/zinc/68/38/69/986683869.db2.gz XKAUWYZEJJWMLW-DZGCQCFKSA-N 2 0 249.402 2.662 20 30 BFEDRP CC[C@@H](CC#N)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001255159764 986832849 /nfs/dbraw/zinc/83/28/49/986832849.db2.gz BMYRDPOUFKLVRD-AWEZNQCLSA-N 2 0 249.402 2.533 20 30 BFEDRP CC(C)(S)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256563475 987235644 /nfs/dbraw/zinc/23/56/44/987235644.db2.gz CCEXDAHCAPNUKJ-UHFFFAOYSA-N 2 0 244.448 2.547 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC001246105907 987432593 /nfs/dbraw/zinc/43/25/93/987432593.db2.gz BUWOJDKGMRLSLP-KGLIPLIRSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC001246115380 987452529 /nfs/dbraw/zinc/45/25/29/987452529.db2.gz HNRGVKZSKZTJFN-CHWSQXEVSA-N 2 0 212.381 2.687 20 30 BFEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246152402 987514300 /nfs/dbraw/zinc/51/43/00/987514300.db2.gz XIBRVXIRALRORN-KBXIAJHMSA-N 2 0 238.419 2.933 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]CC[C@H]3CCC[NH2+]3)C[C@H](C1)C2 ZINC001246273655 987665056 /nfs/dbraw/zinc/66/50/56/987665056.db2.gz QKBMXHRTSIRXCK-IUOOZAAYSA-N 2 0 248.414 2.853 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610780 988234806 /nfs/dbraw/zinc/23/48/06/988234806.db2.gz NTGKAVZNMVQHST-CABCVRRESA-N 2 0 236.403 2.807 20 30 BFEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644050 988355231 /nfs/dbraw/zinc/35/52/31/988355231.db2.gz PCSQRWPFFPLSCQ-ZIAGYGMSSA-N 2 0 222.376 2.559 20 30 BFEDRP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659759 988390101 /nfs/dbraw/zinc/39/01/01/988390101.db2.gz GNCXLGJNFYVVLU-FQUUOJAGSA-N 2 0 224.392 2.624 20 30 BFEDRP C=CC[NH+](CC=C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246815089 988495038 /nfs/dbraw/zinc/49/50/38/988495038.db2.gz VVWAUCMPPZBNDD-UHFFFAOYSA-N 2 0 248.414 2.973 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001258723592 991659988 /nfs/dbraw/zinc/65/99/88/991659988.db2.gz ZMQGXACCKJYCFZ-IHRRRGAJSA-N 2 0 224.392 2.804 20 30 BFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(C)(C)S ZINC001258902182 991891086 /nfs/dbraw/zinc/89/10/86/991891086.db2.gz QUWALWBZWMOAJZ-LBPRGKRZSA-N 2 0 246.464 2.795 20 30 BFEDRP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001574907728 992942521 /nfs/dbraw/zinc/94/25/21/992942521.db2.gz ZLPDGLCYWQFQGX-UONOGXRCSA-N 2 0 222.376 2.546 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCN(C)CCCC ZINC000380329983 993326291 /nfs/dbraw/zinc/32/62/91/993326291.db2.gz NTBKAWSPYHURON-ZDUSSCGKSA-N 2 0 212.381 2.663 20 30 BFEDRP C=CCC[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000381385494 993390713 /nfs/dbraw/zinc/39/07/13/993390713.db2.gz LYDMEZBLAKKUAI-HIFPTAJRSA-N 2 0 210.365 2.543 20 30 BFEDRP CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383646504 993506473 /nfs/dbraw/zinc/50/64/73/993506473.db2.gz CMSGWAQCBGSBGM-LSDHHAIUSA-N 2 0 238.419 2.888 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001577430083 993663771 /nfs/dbraw/zinc/66/37/71/993663771.db2.gz MXHYCLPEGDMXOP-KBPBESRZSA-N 2 0 224.392 2.770 20 30 BFEDRP C=CCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000117879350 358451892 /nfs/dbraw/zinc/45/18/92/358451892.db2.gz XWRQJEPAERQSFI-UHFFFAOYSA-N 2 0 222.376 2.513 20 30 BFEDRP C=C(C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423023833 398163401 /nfs/dbraw/zinc/16/34/01/398163401.db2.gz IEBWZJKYBVLQBN-CZUORRHYSA-N 2 0 244.382 2.678 20 30 BFEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000336750657 136219777 /nfs/dbraw/zinc/21/97/77/136219777.db2.gz ZOKCTAVCINZTGJ-ZDUSSCGKSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[NH+](C)[C@@H](C)CC[N@H+](C)CCC=C ZINC000276400412 538932270 /nfs/dbraw/zinc/93/22/70/538932270.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 2 0 224.392 2.781 20 30 BFEDRP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000602559506 349599060 /nfs/dbraw/zinc/59/90/60/349599060.db2.gz DDQPKSIZEQEOPM-FFHGMXDLSA-N 2 0 249.402 2.531 20 30 BFEDRP C=CC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000625704708 344049601 /nfs/dbraw/zinc/04/96/01/344049601.db2.gz ZXTXKPRATLYGTD-HNNXBMFYSA-N 2 0 236.403 2.760 20 30 BFEDRP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358503690 344565711 /nfs/dbraw/zinc/56/57/11/344565711.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000635017579 345216393 /nfs/dbraw/zinc/21/63/93/345216393.db2.gz FGNBFQJCKJRKJM-STQMWFEESA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000635017576 345216840 /nfs/dbraw/zinc/21/68/40/345216840.db2.gz FGNBFQJCKJRKJM-CHWSQXEVSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000635016506 345221479 /nfs/dbraw/zinc/22/14/79/345221479.db2.gz CGEPWIYXSCRWMS-KBPBESRZSA-N 2 0 238.419 2.957 20 30 BFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635020119 345222712 /nfs/dbraw/zinc/22/27/12/345222712.db2.gz JUGBGSARHMSWFC-CHWSQXEVSA-N 2 0 224.392 2.838 20 30 BFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000596653392 348606728 /nfs/dbraw/zinc/60/67/28/348606728.db2.gz KIDJBIJEIGXFME-IUODEOHRSA-N 2 0 245.370 2.582 20 30 BFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000274798973 188092486 /nfs/dbraw/zinc/09/24/86/188092486.db2.gz JLGPMSUOLMGDRK-UHFFFAOYSA-N 2 0 245.370 2.842 20 30 BFEDRP C=CC[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000162645601 353323790 /nfs/dbraw/zinc/32/37/90/353323790.db2.gz AOEPSBFTDABMOU-ZDUSSCGKSA-N 2 0 245.370 2.605 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336776175 353461073 /nfs/dbraw/zinc/46/10/73/353461073.db2.gz DYSXMBDOUNRRHF-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C#C[C@@H]([NH2+]CCCc1cnccc1C)C(C)C ZINC000289619282 353622137 /nfs/dbraw/zinc/62/21/37/353622137.db2.gz WGNJIJDYYMQNTI-OAHLLOKOSA-N 2 0 230.355 2.570 20 30 BFEDRP CC1(C#N)CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000335147355 354860685 /nfs/dbraw/zinc/86/06/85/354860685.db2.gz TXOQOTVUUARCMD-LQULJDIASA-N 2 0 249.402 2.566 20 30 BFEDRP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346844889 355135552 /nfs/dbraw/zinc/13/55/52/355135552.db2.gz MCDYGLJNHPOZPX-MRXNPFEDSA-N 2 0 244.382 2.674 20 30 BFEDRP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000352016616 134036758 /nfs/dbraw/zinc/03/67/58/134036758.db2.gz YOPCLZSZUGBOKB-KGLIPLIRSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026097 191656348 /nfs/dbraw/zinc/65/63/48/191656348.db2.gz RYQHAFRYVDGEKW-MGPQQGTHSA-N 2 0 224.392 2.696 20 30 BFEDRP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000351891952 356158289 /nfs/dbraw/zinc/15/82/89/356158289.db2.gz RURZWSNYTQFUNH-KBPBESRZSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683435 356593568 /nfs/dbraw/zinc/59/35/68/356593568.db2.gz ZDCWTQOXANIJMK-UHFFFAOYSA-N 2 0 245.370 2.560 20 30 BFEDRP C=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423031748 192546039 /nfs/dbraw/zinc/54/60/39/192546039.db2.gz VKOUDPDPASQQJD-XYPWUTKMSA-N 2 0 242.366 2.572 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423138107 192583166 /nfs/dbraw/zinc/58/31/66/192583166.db2.gz SBVMMEUGRFOSIP-OLZOCXBDSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423160581 192597604 /nfs/dbraw/zinc/59/76/04/192597604.db2.gz ZTEKLUYYJMGAAW-NSHDSACASA-N 2 0 247.386 2.712 20 30 BFEDRP C=CC[NH+](C/C=C\C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000357534400 134183795 /nfs/dbraw/zinc/18/37/95/134183795.db2.gz ZSPDOHRUXMIKMI-WAYWQWQTSA-N 2 0 246.398 2.843 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423259789 192656546 /nfs/dbraw/zinc/65/65/46/192656546.db2.gz OWBNOIRHEDYKIG-UONOGXRCSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCN1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189115622 357615726 /nfs/dbraw/zinc/61/57/26/357615726.db2.gz RGTUJKPLONVVPN-OAHLLOKOSA-N 2 0 248.414 2.949 20 30 BFEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398083651 357839333 /nfs/dbraw/zinc/83/93/33/357839333.db2.gz SQURYFPWJIOUAO-RWMBFGLXSA-N 2 0 210.365 2.591 20 30 BFEDRP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000211866011 134242247 /nfs/dbraw/zinc/24/22/47/134242247.db2.gz KDKHXISUDOTOQR-GOEBONIOSA-N 2 0 244.382 2.772 20 30 BFEDRP C=C(C)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984700 358026101 /nfs/dbraw/zinc/02/61/01/358026101.db2.gz YESIYJUXQOTJLQ-UHFFFAOYSA-N 2 0 236.403 2.903 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423398498 192741745 /nfs/dbraw/zinc/74/17/45/192741745.db2.gz OZHBGDKWBMRPCC-RDBSUJKOSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538239 192807461 /nfs/dbraw/zinc/80/74/61/192807461.db2.gz FVLGINMVMFMDIR-LJISPDSOSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CCCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003410 360052430 /nfs/dbraw/zinc/05/24/30/360052430.db2.gz MYMVNDAUBYYWBL-CQSZACIVSA-N 2 0 247.386 2.641 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629528198 361133002 /nfs/dbraw/zinc/13/30/02/361133002.db2.gz SAODXOVSDVOWIU-MELADBBJSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000385016177 367772156 /nfs/dbraw/zinc/77/21/56/367772156.db2.gz YYTNYIBUDFHXQV-KBPBESRZSA-N 2 0 230.355 2.933 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000581736722 367799729 /nfs/dbraw/zinc/79/97/29/367799729.db2.gz GKVFPCZOIJYXQZ-KBPBESRZSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000581736723 367799924 /nfs/dbraw/zinc/79/99/24/367799924.db2.gz GKVFPCZOIJYXQZ-KGLIPLIRSA-N 2 0 224.392 2.840 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459784011 203367801 /nfs/dbraw/zinc/36/78/01/203367801.db2.gz NTUQJTZYNMZFCK-KBPBESRZSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122209 371323656 /nfs/dbraw/zinc/32/36/56/371323656.db2.gz MERPKMSJODHBGS-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=C(C)CN1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000174363156 374187098 /nfs/dbraw/zinc/18/70/98/374187098.db2.gz NCWWMIGQSQCSQJ-ZFWWWQNUSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000518689692 384185784 /nfs/dbraw/zinc/18/57/84/384185784.db2.gz VXTJZDOXSMZINH-UHFFFAOYSA-N 2 0 224.392 2.805 20 30 BFEDRP C=C(CC)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313477400 384413651 /nfs/dbraw/zinc/41/36/51/384413651.db2.gz CTVZQHWHJOUAAY-KGLIPLIRSA-N 2 0 216.328 2.687 20 30 BFEDRP C=C(CC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000313503651 384434632 /nfs/dbraw/zinc/43/46/32/384434632.db2.gz LZQLTFXDXIPIFS-SOUVJXGZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000309919655 384714564 /nfs/dbraw/zinc/71/45/64/384714564.db2.gz RGMHLTKSYYTCSU-AWEZNQCLSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423372855 384848890 /nfs/dbraw/zinc/84/88/90/384848890.db2.gz HIBZNCGQLAAKJN-IHRRRGAJSA-N 2 0 224.392 2.981 20 30 BFEDRP C=CCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000581707428 385706346 /nfs/dbraw/zinc/70/63/46/385706346.db2.gz AVLCWOMVOXLKHT-AWEZNQCLSA-N 2 0 224.392 2.759 20 30 BFEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000335035912 385925197 /nfs/dbraw/zinc/92/51/97/385925197.db2.gz DQRMTICKASFCDE-HESLUPGFSA-N 2 0 249.402 2.566 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453397627 386566904 /nfs/dbraw/zinc/56/69/04/386566904.db2.gz JSFWBRXDGWZXIM-ZDUSSCGKSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977044 386570834 /nfs/dbraw/zinc/57/08/34/386570834.db2.gz XKMFQAUNOBJXES-HUUCEWRRSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CCC[C@@H](CC)[NH2+]CCC[NH2+]C(C)C ZINC000520216721 386600919 /nfs/dbraw/zinc/60/09/19/386600919.db2.gz WFTMAZRIUGZEAJ-CYBMUJFWSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337946 387186230 /nfs/dbraw/zinc/18/62/30/387186230.db2.gz UNUPZAUQXUMOOC-IHRRRGAJSA-N 2 0 224.392 2.566 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423386754 387271259 /nfs/dbraw/zinc/27/12/59/387271259.db2.gz RPUZMNCOCKRBHV-HZSPNIEDSA-N 2 0 224.392 2.851 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395151 387282378 /nfs/dbraw/zinc/28/23/78/387282378.db2.gz RSXKUEYSUSCDSV-QWHCGFSZSA-N 2 0 244.382 2.980 20 30 BFEDRP C=CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438198 387287985 /nfs/dbraw/zinc/28/79/85/387287985.db2.gz MTJFPEJVXOOOIL-ARFHVFGLSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538241 387364237 /nfs/dbraw/zinc/36/42/37/387364237.db2.gz FVLGINMVMFMDIR-ZQDZILKHSA-N 2 0 236.403 2.709 20 30 BFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491877 387335870 /nfs/dbraw/zinc/33/58/70/387335870.db2.gz ZVOSLDKVVOXSGA-BFHYXJOUSA-N 2 0 224.392 2.709 20 30 BFEDRP C[NH+](CC#CC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000516497101 387517047 /nfs/dbraw/zinc/51/70/47/387517047.db2.gz HUQVUFAWIZHQLT-UHFFFAOYSA-N 2 0 248.414 2.739 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527733588 387682432 /nfs/dbraw/zinc/68/24/32/387682432.db2.gz DGBFAZJTGLAWNI-UONOGXRCSA-N 2 0 236.403 2.805 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000527923247 387791197 /nfs/dbraw/zinc/79/11/97/387791197.db2.gz CZKYVTDGMDPOSS-JSGCOSHPSA-N 2 0 236.403 2.661 20 30 BFEDRP C=C(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423027165 387844337 /nfs/dbraw/zinc/84/43/37/387844337.db2.gz OMCAIPVQYRELLD-HOTGVXAUSA-N 2 0 244.382 2.807 20 30 BFEDRP C=CCCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423046756 387857402 /nfs/dbraw/zinc/85/74/02/387857402.db2.gz FFIMLULDPZZRIM-GDBMZVCRSA-N 2 0 246.398 2.891 20 30 BFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442653605 387814900 /nfs/dbraw/zinc/81/49/00/387814900.db2.gz RBEJXAKPHHHHOY-KFWWJZLASA-N 2 0 249.402 2.533 20 30 BFEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423096143 387884176 /nfs/dbraw/zinc/88/41/76/387884176.db2.gz GYZAMJXCYPIQNZ-WCQYABFASA-N 2 0 247.386 2.854 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423137791 387916444 /nfs/dbraw/zinc/91/64/44/387916444.db2.gz ROBUWUOWXXUAPU-QWHCGFSZSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000423162032 387943576 /nfs/dbraw/zinc/94/35/76/387943576.db2.gz OUAZHGNUQVIVPM-YIONKMFJSA-N 2 0 248.414 2.996 20 30 BFEDRP C=CCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000423164918 387948870 /nfs/dbraw/zinc/94/88/70/387948870.db2.gz UAEWZMPXAQIUOQ-CQSZACIVSA-N 2 0 236.403 2.855 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423208640 387993016 /nfs/dbraw/zinc/99/30/16/387993016.db2.gz DJDSGABHVNWAIV-XDQVBPFNSA-N 2 0 224.392 2.565 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423214685 387998267 /nfs/dbraw/zinc/99/82/67/387998267.db2.gz LUGLLTWPQDVCJH-RDBSUJKOSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000453225828 388016351 /nfs/dbraw/zinc/01/63/51/388016351.db2.gz CEQCOLJTVBFTEX-UONOGXRCSA-N 2 0 226.408 2.909 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254050 388035059 /nfs/dbraw/zinc/03/50/59/388035059.db2.gz WWEPVGDHENRHES-ZIAGYGMSSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423274163 388055339 /nfs/dbraw/zinc/05/53/39/388055339.db2.gz LMMLFMXQSOHXFQ-QWHCGFSZSA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423274164 388055510 /nfs/dbraw/zinc/05/55/10/388055510.db2.gz LMMLFMXQSOHXFQ-STQMWFEESA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277376 388058826 /nfs/dbraw/zinc/05/88/26/388058826.db2.gz PLLOZXTVUYFNAB-STQMWFEESA-N 2 0 212.381 2.694 20 30 BFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423282290 388065172 /nfs/dbraw/zinc/06/51/72/388065172.db2.gz WKEFBFBYSUOBMO-QWHCGFSZSA-N 2 0 212.381 2.566 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423270523 388049661 /nfs/dbraw/zinc/04/96/61/388049661.db2.gz GNEZNAPVBOSDAY-XDQVBPFNSA-N 2 0 224.392 2.694 20 30 BFEDRP C=CCC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccco1 ZINC000516272860 256771314 /nfs/dbraw/zinc/77/13/14/256771314.db2.gz OAXVDEBRLFLFLO-AWEZNQCLSA-N 2 0 248.370 2.876 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000530208653 388626590 /nfs/dbraw/zinc/62/65/90/388626590.db2.gz GNDSWRHDSACUBG-OLZOCXBDSA-N 2 0 224.392 2.838 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000530213023 388628032 /nfs/dbraw/zinc/62/80/32/388628032.db2.gz SUYWZPXQEGTHBB-QWHCGFSZSA-N 2 0 224.392 2.566 20 30 BFEDRP CCC([NH3+])(CC)CN[C@@H](C)c1cccc(C#N)c1 ZINC000423289290 388689883 /nfs/dbraw/zinc/68/98/83/388689883.db2.gz WRXFIFYRLLSUSE-LBPRGKRZSA-N 2 0 245.370 2.726 20 30 BFEDRP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274865339 389048587 /nfs/dbraw/zinc/04/85/87/389048587.db2.gz VMLILOQMLVOKCO-ZBFHGGJFSA-N 2 0 244.382 2.673 20 30 BFEDRP C=C(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760814 533486204 /nfs/dbraw/zinc/48/62/04/533486204.db2.gz GOJHZYRSKPKBSV-PBWFPOADSA-N 2 0 222.376 2.510 20 30 BFEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356791567 134179227 /nfs/dbraw/zinc/17/92/27/134179227.db2.gz UAZNLMQOYOPQLX-KBPBESRZSA-N 2 0 238.419 2.909 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361441320 134205561 /nfs/dbraw/zinc/20/55/61/134205561.db2.gz UZOOFFLRDAONPL-UKRRQHHQSA-N 2 0 249.402 2.533 20 30 BFEDRP C#CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000374429714 134236944 /nfs/dbraw/zinc/23/69/44/134236944.db2.gz PWUSGXIHNPSUHB-JKSUJKDBSA-N 2 0 248.414 2.596 20 30 BFEDRP C=C(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000211866160 134242285 /nfs/dbraw/zinc/24/22/85/134242285.db2.gz KDKHXISUDOTOQR-HOCLYGCPSA-N 2 0 244.382 2.772 20 30 BFEDRP C=C(C)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123258927 134243291 /nfs/dbraw/zinc/24/32/91/134243291.db2.gz SFFANFNTTDSRSX-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C#CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000178052941 134302801 /nfs/dbraw/zinc/30/28/01/134302801.db2.gz WEZSXHWJGSYSBH-UHFFFAOYSA-N 2 0 248.414 2.787 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720231 410358400 /nfs/dbraw/zinc/35/84/00/410358400.db2.gz IZTPGBVXSNVDMM-CYBMUJFWSA-N 2 0 232.371 2.850 20 30 BFEDRP C=CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CC1 ZINC000271883936 166295215 /nfs/dbraw/zinc/29/52/15/166295215.db2.gz QFFPEPHWMCOOKT-OAHLLOKOSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CC[NH+](C/C=C/C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000271547442 166323040 /nfs/dbraw/zinc/32/30/40/166323040.db2.gz ZSPDOHRUXMIKMI-AATRIKPKSA-N 2 0 246.398 2.843 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000651691727 411136917 /nfs/dbraw/zinc/13/69/17/411136917.db2.gz FEDCCUDPFRCZOQ-UONOGXRCSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 ZINC000651691728 411137017 /nfs/dbraw/zinc/13/70/17/411137017.db2.gz FEDCCUDPFRCZOQ-ZIAGYGMSSA-N 2 0 224.392 2.663 20 30 BFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000651748685 411141101 /nfs/dbraw/zinc/14/11/01/411141101.db2.gz UNVYQLTWLSXIMX-DZGCQCFKSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000651748688 411141206 /nfs/dbraw/zinc/14/12/06/411141206.db2.gz UNVYQLTWLSXIMX-ZFWWWQNUSA-N 2 0 234.387 2.583 20 30 BFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280695 412225356 /nfs/dbraw/zinc/22/53/56/412225356.db2.gz JDYWRMAHASLLIC-FRRDWIJNSA-N 2 0 212.381 2.550 20 30 BFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651676338 487815350 /nfs/dbraw/zinc/81/53/50/487815350.db2.gz WVXIGMPMEUWYFQ-QLFBSQMISA-N 2 0 248.414 2.805 20 30 BFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995221 487925204 /nfs/dbraw/zinc/92/52/04/487925204.db2.gz GPCJIGCJWAYIPV-OLZOCXBDSA-N 2 0 222.376 2.605 20 30 BFEDRP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358615501 534375032 /nfs/dbraw/zinc/37/50/32/534375032.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 2 0 224.392 2.615 20 30 BFEDRP C=C(CC)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000358504334 534381936 /nfs/dbraw/zinc/38/19/36/534381936.db2.gz FUYJZBQLLDMVIH-UHFFFAOYSA-N 2 0 224.392 2.616 20 30 BFEDRP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000309346676 534694953 /nfs/dbraw/zinc/69/49/53/534694953.db2.gz WPEYTSLAOZFWSJ-HZSPNIEDSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000304193210 534735974 /nfs/dbraw/zinc/73/59/74/534735974.db2.gz AWDWCPJIJOQTFG-KBPBESRZSA-N 2 0 216.328 2.687 20 30 BFEDRP N#CC1(CCCC[NH+]2CCC(C[NH3+])CC2)CCC1 ZINC000903713608 584793654 /nfs/dbraw/zinc/79/36/54/584793654.db2.gz XISICWVDUGGQDF-UHFFFAOYSA-N 2 0 249.402 2.521 20 30 BFEDRP C=CC[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764810 584797260 /nfs/dbraw/zinc/79/72/60/584797260.db2.gz BNJGRCZFTBHKMJ-GJZGRUSLSA-N 2 0 236.403 2.664 20 30 BFEDRP C=CC[C@H]1[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCC1(C)C ZINC000904348964 584868851 /nfs/dbraw/zinc/86/88/51/584868851.db2.gz XYGCJYZBTSKNIU-HZSPNIEDSA-N 2 0 236.403 2.790 20 30 BFEDRP C=CCCCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817931559 586842097 /nfs/dbraw/zinc/84/20/97/586842097.db2.gz LQMDMZDYJZUEFC-ZDUSSCGKSA-N 2 0 224.392 2.711 20 30 BFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817954478 586849680 /nfs/dbraw/zinc/84/96/80/586849680.db2.gz YBRFFBMRMMDXAB-ZIAGYGMSSA-N 2 0 224.392 2.853 20 30 BFEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000863539463 589296510 /nfs/dbraw/zinc/29/65/10/589296510.db2.gz CNHKCWCEWXGZIS-NWDGAFQWSA-N 2 0 200.370 2.672 20 30 BFEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000872140753 589881539 /nfs/dbraw/zinc/88/15/39/589881539.db2.gz XKIHFLSTMDPEHR-SHTZXODSSA-N 2 0 248.414 2.641 20 30 BFEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271251 590016214 /nfs/dbraw/zinc/01/62/14/590016214.db2.gz GBNKUHGUUUWCTR-JSGCOSHPSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000873281072 590018244 /nfs/dbraw/zinc/01/82/44/590018244.db2.gz XGOTUWMEPIJFKO-KGLIPLIRSA-N 2 0 238.419 2.957 20 30 BFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073818 590278271 /nfs/dbraw/zinc/27/82/71/590278271.db2.gz SPKOTPSUATXAQN-PFSRBDOWSA-N 2 0 249.402 2.531 20 30 BFEDRP C#CCCCCCC[NH2+]CCC[NH+]1CCCC1 ZINC000877143094 590291756 /nfs/dbraw/zinc/29/17/56/590291756.db2.gz DIOXVAFBTDLZOA-UHFFFAOYSA-N 2 0 236.403 2.646 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000126773987 590442756 /nfs/dbraw/zinc/44/27/56/590442756.db2.gz PKPHFZNYKQBELH-KGLIPLIRSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000126773491 590442945 /nfs/dbraw/zinc/44/29/45/590442945.db2.gz PKPHFZNYKQBELH-ZIAGYGMSSA-N 2 0 224.392 2.805 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877969228 590462584 /nfs/dbraw/zinc/46/25/84/590462584.db2.gz YGNLQSIZXDZSLI-AWEZNQCLSA-N 2 0 236.403 2.759 20 30 BFEDRP C=CC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878159508 590510550 /nfs/dbraw/zinc/51/05/50/590510550.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 2 0 224.392 2.615 20 30 BFEDRP C=CC[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203671 590714007 /nfs/dbraw/zinc/71/40/07/590714007.db2.gz SVYHCRRXTAZVEZ-AWEZNQCLSA-N 2 0 236.403 2.901 20 30 BFEDRP C=C(Cl)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248325 590720662 /nfs/dbraw/zinc/72/06/62/590720662.db2.gz LATCTRIBYVQZSI-UHFFFAOYSA-N 2 0 242.794 2.547 20 30 BFEDRP C=C(C)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258863 590979057 /nfs/dbraw/zinc/97/90/57/590979057.db2.gz DJHYWHFKCYBSBV-CQSZACIVSA-N 2 0 245.370 2.558 20 30 BFEDRP C=C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538902 592252426 /nfs/dbraw/zinc/25/24/26/592252426.db2.gz PNABEOUWUFVDNL-NFOMZHRRSA-N 2 0 236.403 2.948 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701672 634377170 /nfs/dbraw/zinc/37/71/70/634377170.db2.gz CYTIWZLIZXOJRE-OLZOCXBDSA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880568 635609048 /nfs/dbraw/zinc/60/90/48/635609048.db2.gz SLEFKHYWTMBTBN-MCIONIFRSA-N 2 0 224.392 2.838 20 30 BFEDRP C#CC[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000161526592 632070544 /nfs/dbraw/zinc/07/05/44/632070544.db2.gz RZEMSJPLXNPLCS-UHFFFAOYSA-N 2 0 248.414 2.740 20 30 BFEDRP C=CCCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000309182935 632696324 /nfs/dbraw/zinc/69/63/24/632696324.db2.gz GBXMKRKNRRXLBN-KBPBESRZSA-N 2 0 224.392 2.840 20 30 BFEDRP CCCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177024102 633821044 /nfs/dbraw/zinc/82/10/44/633821044.db2.gz ZJNLRSHZSKMEFT-UHFFFAOYSA-N 2 0 226.408 2.983 20 30 BFEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925601619 634126900 /nfs/dbraw/zinc/12/69/00/634126900.db2.gz MKQBLBVTGJSETB-NWANDNLSSA-N 2 0 236.403 2.709 20 30 BFEDRP C=C(C)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925680052 634276994 /nfs/dbraw/zinc/27/69/94/634276994.db2.gz GSDAXPLLHOPRDI-LSDHHAIUSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701674 634376295 /nfs/dbraw/zinc/37/62/95/634376295.db2.gz CYTIWZLIZXOJRE-STQMWFEESA-N 2 0 222.376 2.592 20 30 BFEDRP C=CCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354980 640166714 /nfs/dbraw/zinc/16/67/14/640166714.db2.gz MYOSGIOSPYXQMJ-UHFFFAOYSA-N 2 0 224.392 2.759 20 30 BFEDRP C=CC[C@H]1CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934460958 641153711 /nfs/dbraw/zinc/15/37/11/641153711.db2.gz LIPJRDGQUXTDJH-AWEZNQCLSA-N 2 0 222.376 2.513 20 30 BFEDRP C#CCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925158854 646197651 /nfs/dbraw/zinc/19/76/51/646197651.db2.gz BJCXSJIOTUKWHP-AWEZNQCLSA-N 2 0 244.382 2.812 20 30 BFEDRP C=C[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925254820 646221000 /nfs/dbraw/zinc/22/10/00/646221000.db2.gz AXJJLJHLRGBTJJ-ZDUSSCGKSA-N 2 0 224.392 2.661 20 30 BFEDRP C=CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925678207 646407281 /nfs/dbraw/zinc/40/72/81/646407281.db2.gz SOLHLEXXCOZXNO-CYBMUJFWSA-N 2 0 236.403 2.853 20 30 BFEDRP C=C(C)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925680050 646407923 /nfs/dbraw/zinc/40/79/23/646407923.db2.gz GSDAXPLLHOPRDI-GJZGRUSLSA-N 2 0 236.403 2.711 20 30 BFEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925730839 646453635 /nfs/dbraw/zinc/45/36/35/646453635.db2.gz QVRJSHWREIWBPG-LBPRGKRZSA-N 2 0 224.392 2.709 20 30 BFEDRP C=CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466923 712222237 /nfs/dbraw/zinc/22/22/37/712222237.db2.gz NABWRGNFYDEIKD-YIONKMFJSA-N 2 0 236.403 2.996 20 30 BFEDRP C=CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903119822 710893946 /nfs/dbraw/zinc/89/39/46/710893946.db2.gz KBXGKVHTQMWCPC-IKKMQULASA-N 2 0 234.387 2.698 20 30 BFEDRP CCCCCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000161212006 711584825 /nfs/dbraw/zinc/58/48/25/711584825.db2.gz VNUJNKQXRCGSIE-OLZOCXBDSA-N 2 0 212.381 2.626 20 30 BFEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925721431 711716439 /nfs/dbraw/zinc/71/64/39/711716439.db2.gz NIYOIWDNWGNAEE-CYBMUJFWSA-N 2 0 236.403 2.853 20 30 BFEDRP CCCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000703727439 712085595 /nfs/dbraw/zinc/08/55/95/712085595.db2.gz NCEAJCNRYXBOHD-STQMWFEESA-N 2 0 212.381 2.816 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094300 965726752 /nfs/dbraw/zinc/72/67/52/965726752.db2.gz LERSKDKASCHAHX-ZDUSSCGKSA-N 2 0 210.365 2.546 20 30 BFEDRP C=CCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205905270 967878858 /nfs/dbraw/zinc/87/88/58/967878858.db2.gz ZVWVVZMXKBOXTJ-UONOGXRCSA-N 2 0 224.392 2.792 20 30 BFEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)CC#N)CC1 ZINC001173107079 975025807 /nfs/dbraw/zinc/02/58/07/975025807.db2.gz JPSWDKAHVKZTCF-HSBZDZAISA-N 2 0 237.391 2.531 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958707 979230168 /nfs/dbraw/zinc/23/01/68/979230168.db2.gz JEKVDJCKROOUJO-QDMKHBRRSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCCCCCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235978855 979234991 /nfs/dbraw/zinc/23/49/91/979234991.db2.gz KRBPRIIODVQPFI-CABCVRRESA-N 2 0 236.403 2.936 20 30 BFEDRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001257205398 971122952 /nfs/dbraw/zinc/12/29/52/971122952.db2.gz JZAYKFMHMOXFNC-HDJSIYSDSA-N 2 0 249.402 2.531 20 30 BFEDRP C=C1C[C@@H]2CC([NH+]3CCC(C)([NH3+])CC3)C[C@H](C1)C2 ZINC001257887700 971520054 /nfs/dbraw/zinc/52/00/54/971520054.db2.gz GGWAVGLGBSNWDP-YIONKMFJSA-N 2 0 248.414 2.935 20 30 BFEDRP CCCCCCC[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156942 974328757 /nfs/dbraw/zinc/32/87/57/974328757.db2.gz UPINLQUYDLYBJN-OLZOCXBDSA-N 2 0 230.371 2.718 20 30 BFEDRP C=C(C)CCc1ccccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170901066 972067534 /nfs/dbraw/zinc/06/75/34/972067534.db2.gz VGXZJFICCBEAQH-OAHLLOKOSA-N 2 0 247.386 2.631 20 30 BFEDRP C#CCCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209265670 957371431 /nfs/dbraw/zinc/37/14/31/957371431.db2.gz CXRWBOMNMMADLW-INIZCTEOSA-N 2 0 248.414 2.740 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236817184 966554890 /nfs/dbraw/zinc/55/48/90/966554890.db2.gz ABAXFOIEXXSWIT-ZNMIVQPWSA-N 2 0 236.403 2.792 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236817175 966556778 /nfs/dbraw/zinc/55/67/78/966556778.db2.gz ABAXFOIEXXSWIT-RRFJBIMHSA-N 2 0 236.403 2.792 20 30 BFEDRP C=C(C)[C@@H]1CC=C(CN2CCC[NH2+]CC2)CC1 ZINC001204654925 967114488 /nfs/dbraw/zinc/11/44/88/967114488.db2.gz GQFZMKXOPRJCFI-OAHLLOKOSA-N 2 0 234.387 2.584 20 30 BFEDRP C=C[C@@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001205583737 967704042 /nfs/dbraw/zinc/70/40/42/967704042.db2.gz SUYSSWBCXXFZKE-OAHLLOKOSA-N 2 0 236.403 2.759 20 30 BFEDRP CC[C@H](CC#N)[NH2+]CCCCC[NH+]1CCCC1 ZINC001255157359 969964462 /nfs/dbraw/zinc/96/44/62/969964462.db2.gz PIBRFSKFSVPSJJ-CQSZACIVSA-N 2 0 237.391 2.534 20 30 BFEDRP C=CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390273 970128033 /nfs/dbraw/zinc/12/80/33/970128033.db2.gz ANGUBUJHJULBDL-INIZCTEOSA-N 2 0 244.382 2.817 20 30 BFEDRP C#CC(CC)(CC)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255940002 970571693 /nfs/dbraw/zinc/57/16/93/970571693.db2.gz LIIYCBWTFYSGJA-CQSZACIVSA-N 2 0 238.419 2.888 20 30 BFEDRP C[C@@]1(C[NH3+])CCC[N@@H+](C2CCC(C#N)CC2)CC1 ZINC001246577798 972895312 /nfs/dbraw/zinc/89/53/12/972895312.db2.gz PRIKBKNTLZLLPP-YMAMQOFZSA-N 2 0 249.402 2.520 20 30 BFEDRP C[NH+]1C(C)(C)CC([NH2+]CCCS)CC1(C)C ZINC001171623479 974120938 /nfs/dbraw/zinc/12/09/38/974120938.db2.gz AIYZCVSHPJPDJM-UHFFFAOYSA-N 2 0 244.448 2.547 20 30 BFEDRP CCC[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172479162 974776811 /nfs/dbraw/zinc/77/68/11/974776811.db2.gz HBCASHXKTRCCQB-CYBMUJFWSA-N 2 0 237.391 2.533 20 30 BFEDRP CC[NH+](CC)CCCC[NH2+][C@@H](C)CCCC#N ZINC001172479968 974778843 /nfs/dbraw/zinc/77/88/43/974778843.db2.gz LRLARODYOOQVJB-AWEZNQCLSA-N 2 0 239.407 2.780 20 30 BFEDRP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172488149 974832267 /nfs/dbraw/zinc/83/22/67/974832267.db2.gz JRXIBADZROILOC-XQLPTFJDSA-N 2 0 249.402 2.674 20 30 BFEDRP C=CCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994538 978944265 /nfs/dbraw/zinc/94/42/65/978944265.db2.gz ULXBVECKGWFERT-HNNXBMFYSA-N 2 0 236.403 2.808 20 30 BFEDRP CCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240118 979002020 /nfs/dbraw/zinc/00/20/20/979002020.db2.gz MXHYCLPEGDMXOP-ZIAGYGMSSA-N 2 0 224.392 2.770 20 30 BFEDRP C=CCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236043678 979336818 /nfs/dbraw/zinc/33/68/18/979336818.db2.gz DDJHCZCSXFFSNZ-UONOGXRCSA-N 2 0 224.392 2.792 20 30 BFEDRP C=CCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985080 984299135 /nfs/dbraw/zinc/29/91/35/984299135.db2.gz VQMAQSPKKOMDKZ-KGLIPLIRSA-N 2 0 224.392 2.650 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246090683 987396256 /nfs/dbraw/zinc/39/62/56/987396256.db2.gz LSFBJNRGSAQUBW-QGPPMGRFSA-N 2 0 248.414 2.853 20 30 BFEDRP CCCCCCC[C@H](C)[NH2+]CC1(C)C[NH2+]C1 ZINC001246094780 987404475 /nfs/dbraw/zinc/40/44/75/987404475.db2.gz OEKIGLCBNQIFGY-ZDUSSCGKSA-N 2 0 226.408 2.935 20 30 BFEDRP CCCCCCC[C@@H](C)[NH2+]CC1(C)C[NH2+]C1 ZINC001246094779 987404665 /nfs/dbraw/zinc/40/46/65/987404665.db2.gz OEKIGLCBNQIFGY-CYBMUJFWSA-N 2 0 226.408 2.935 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+][C@H](C)C3)C[C@H](C1)C2 ZINC001246098448 987414711 /nfs/dbraw/zinc/41/47/11/987414711.db2.gz BFWUUCKAGWQTKG-IWQYDBTJSA-N 2 0 248.414 2.709 20 30 BFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246107964 987439412 /nfs/dbraw/zinc/43/94/12/987439412.db2.gz JIZJWMWRENZMCG-ZDUSSCGKSA-N 2 0 244.382 2.777 20 30 BFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246123461 987471242 /nfs/dbraw/zinc/47/12/42/987471242.db2.gz AORUBWBJUGRAQF-KBPBESRZSA-N 2 0 236.403 2.853 20 30 BFEDRP C=CCC[C@H](C)[NH2+]CCNCc1ccccc1 ZINC001246173077 987539508 /nfs/dbraw/zinc/53/95/08/987539508.db2.gz YYHYRQSXWPXPFQ-AWEZNQCLSA-N 2 0 232.371 2.721 20 30 BFEDRP C=C1C[C@@H]2CC([NH2+]C[C@]3(C)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246216004 987615139 /nfs/dbraw/zinc/61/51/39/987615139.db2.gz CGTJXHSLXPIEET-VFSICIBPSA-N 2 0 248.414 2.711 20 30 BFEDRP N#CCC1CCC([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246580182 988106140 /nfs/dbraw/zinc/10/61/40/988106140.db2.gz FNCNNDRXVIBPKJ-SHARSMKWSA-N 2 0 249.402 2.520 20 30 BFEDRP CC[C@H](CC#N)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246656334 988388681 /nfs/dbraw/zinc/38/86/81/988388681.db2.gz NMIWTJMSQCARHA-HUUCEWRRSA-N 2 0 249.402 2.533 20 30 BFEDRP CCCCCCC[N@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246777512 988455349 /nfs/dbraw/zinc/45/53/49/988455349.db2.gz MLJWZOCTJUUQDW-FICVDOATSA-N 2 0 238.419 2.887 20 30 BFEDRP C=CC[C@@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001119250267 988864518 /nfs/dbraw/zinc/86/45/18/988864518.db2.gz LICVOXRHWIIRNF-CYBMUJFWSA-N 2 0 224.392 2.757 20 30 BFEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001326036041 989338574 /nfs/dbraw/zinc/33/85/74/989338574.db2.gz OJLGKPBIZGMQNS-CHWSQXEVSA-N 2 0 212.381 2.709 20 30 BFEDRP C=CCC[C@@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001258719329 991649922 /nfs/dbraw/zinc/64/99/22/991649922.db2.gz BAMSQTVUQSYNCF-GFCCVEGCSA-N 2 0 212.381 2.661 20 30 BFEDRP C=CCC[C@H](C)[NH2+]C(C)(C)CC[NH+](C)C ZINC001258719330 991650096 /nfs/dbraw/zinc/65/00/96/991650096.db2.gz BAMSQTVUQSYNCF-LBPRGKRZSA-N 2 0 212.381 2.661 20 30 BFEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001258734311 991681005 /nfs/dbraw/zinc/68/10/05/991681005.db2.gz WMYJLCRCXJTFKI-KFWWJZLASA-N 2 0 236.403 2.615 20 30 BFEDRP C#CCCCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258904221 991894046 /nfs/dbraw/zinc/89/40/46/991894046.db2.gz JEBAAEPDHHXKGJ-OAHLLOKOSA-N 2 0 238.419 2.890 20 30 BFEDRP