smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000333730015 215313312 /nfs/dbraw/zinc/31/33/12/215313312.db2.gz JRWHGIUIRYJXIK-CQSZACIVSA-N 1 0 371.503 0.013 40 0 FCABRO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000001689686 204017182 /nfs/dbraw/zinc/01/71/82/204017182.db2.gz OJKHWKUUKANMMH-KGLIPLIRSA-N 1 0 370.475 0.397 40 0 FCABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000100767687 206225167 /nfs/dbraw/zinc/22/51/67/206225167.db2.gz KTADHUSRTUUTIQ-OWCLPIDISA-N 1 0 359.474 0.363 40 0 FCABRO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCN3CCOCC3)C2=O)cc1 ZINC000019929954 206328597 /nfs/dbraw/zinc/32/85/97/206328597.db2.gz LEZLTMJBJTUTPB-INIZCTEOSA-N 1 0 360.414 0.199 40 0 FCABRO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000020529202 206338148 /nfs/dbraw/zinc/33/81/48/206338148.db2.gz ZMYPDQZMECCPSS-KRWDZBQOSA-N 1 0 374.441 0.724 40 0 FCABRO Cn1cc(C[NH2+][C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)cn1 ZINC000077262027 132179380 /nfs/dbraw/zinc/17/93/80/132179380.db2.gz UKENDCQARCDIPV-PSBWJHGTSA-N 1 0 373.457 0.019 40 0 biogenic,in-vitro FCABRO O=C(c1cnccn1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224320883 132283052 /nfs/dbraw/zinc/28/30/52/132283052.db2.gz ZSAIZNYYKMHFPP-UHFFFAOYSA-N 1 0 355.402 0.066 40 0 FCABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 ZINC000306126891 488893911 /nfs/dbraw/zinc/89/39/11/488893911.db2.gz FIEHABCDONXBBN-CABCVRRESA-N 1 0 356.430 0.168 40 0 FCABRO CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCN1CC[NH2+]CC1 ZINC000019681627 487604883 /nfs/dbraw/zinc/60/48/83/487604883.db2.gz VGBFQYSPZBQPBV-UHFFFAOYSA-N 1 0 361.471 0.683 40 0 FCABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019760799 487606969 /nfs/dbraw/zinc/60/69/69/487606969.db2.gz LWQQVBGQQGQFSA-CQSZACIVSA-N 1 0 368.507 0.740 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019752472 487607057 /nfs/dbraw/zinc/60/70/57/487607057.db2.gz NJEXQSBDYRYZJT-ZDUSSCGKSA-N 1 0 356.496 0.490 40 0 FCABRO CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022822236 487624459 /nfs/dbraw/zinc/62/44/59/487624459.db2.gz WCJMPVIDMAONHY-UHFFFAOYSA-N 1 0 368.503 0.816 40 0 FCABRO O=C(c1ccc(Cl)cc1)N(CCO)CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000217372747 488442302 /nfs/dbraw/zinc/44/23/02/488442302.db2.gz QRNYTAJUYNAMLH-CQSZACIVSA-N 1 0 360.863 0.551 40 0 FCABRO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCCC4)C3)C2=O)o1 ZINC000225397343 488449946 /nfs/dbraw/zinc/44/99/46/488449946.db2.gz LMWOBZJSGMHJFQ-WBVHZDCISA-N 1 0 373.453 0.889 40 0 biogenic,in-vitro FCABRO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039757 488488729 /nfs/dbraw/zinc/48/87/29/488488729.db2.gz RARLMBGTZCGAGK-FUHWJXTLSA-N 1 0 350.463 0.896 40 0 FCABRO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2N1S(C)(=O)=O ZINC000096182835 488490334 /nfs/dbraw/zinc/49/03/34/488490334.db2.gz BDRXNAURJWBJCQ-BNOWGMLFSA-N 1 0 357.501 0.637 40 0 FCABRO CN(C)C(=O)[C@@]12CCC3(CCN(S(=O)(=O)C4CC4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262429 488490915 /nfs/dbraw/zinc/49/09/15/488490915.db2.gz QIWOLOXATDGJLS-MAUKXSAKSA-N 1 0 369.531 0.991 40 0 FCABRO COc1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)ccc1OCC(N)=O ZINC000257207112 488523009 /nfs/dbraw/zinc/52/30/09/488523009.db2.gz BGJSAVJTKHFHFU-WMZOPIPTSA-N 1 0 350.415 0.675 40 0 FCABRO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000257219634 488523390 /nfs/dbraw/zinc/52/33/90/488523390.db2.gz DHMYKLHOCGQNRC-KRWDZBQOSA-N 1 0 350.463 0.930 40 0 FCABRO CS(=O)(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257212388 488523472 /nfs/dbraw/zinc/52/34/72/488523472.db2.gz CDFHTHHLBYIQKE-HZPDHXFCSA-N 1 0 358.435 0.674 40 0 FCABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](C1CCN(C)CC1)CC2 ZINC000257227909 488523592 /nfs/dbraw/zinc/52/35/92/488523592.db2.gz FRNMZOQBORRCLP-GOSISDBHSA-N 1 0 353.507 0.793 40 0 FCABRO O=C(C[NH+]1CCCC1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 ZINC000257245143 488524197 /nfs/dbraw/zinc/52/41/97/488524197.db2.gz IOFOVBRULLUHGH-IRXDYDNUSA-N 1 0 361.417 0.860 40 0 FCABRO [NH3+]CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](n3ncc4ncccc43)C2)cc1 ZINC000257282507 488524552 /nfs/dbraw/zinc/52/45/52/488524552.db2.gz OTZPYDJFOXNWAX-QZTJIDSGSA-N 1 0 367.409 0.827 40 0 FCABRO CCc1[nH]nc(C(=O)N2CCC[C@](O)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000257277019 488524894 /nfs/dbraw/zinc/52/48/94/488524894.db2.gz NWCYXABPJMEWEQ-LJQANCHMSA-N 1 0 363.506 0.885 40 0 FCABRO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257314063 488525982 /nfs/dbraw/zinc/52/59/82/488525982.db2.gz UVDXBGJZTCMQEF-SFHVURJKSA-N 1 0 359.430 0.647 40 0 FCABRO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@](O)(Cn3ccnc3C)C2)cc1 ZINC000257343235 488526277 /nfs/dbraw/zinc/52/62/77/488526277.db2.gz ZSBAICIMPMRVRY-FQEVSTJZSA-N 1 0 372.469 0.948 40 0 FCABRO CC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)OC)c3)C2)C1 ZINC000514290112 490768428 /nfs/dbraw/zinc/76/84/28/490768428.db2.gz TWVWQOHQDPNJIF-DLBZAZTESA-N 1 0 373.453 0.439 40 0 biogenic,in-vitro FCABRO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](CC3CC3)C2)C1 ZINC000514288815 490768564 /nfs/dbraw/zinc/76/85/64/490768564.db2.gz FSHZGTGYJVMBNV-RTBURBONSA-N 1 0 355.482 0.971 40 0 biogenic,in-vitro FCABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000575421089 491553537 /nfs/dbraw/zinc/55/35/37/491553537.db2.gz HSQMASNWYWVCAZ-HNNXBMFYSA-N 1 0 368.480 0.895 40 0 FCABRO Cn1cc(C(=O)N2C[C@H]3CN(CC[NH+](C)C)C(=O)[C@H]3C2)c(C(F)F)n1 ZINC000585107406 491719729 /nfs/dbraw/zinc/71/97/29/491719729.db2.gz ZZNPKBSISKSXPI-MNOVXSKESA-N 1 0 355.389 0.450 40 0 FCABRO OCCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585269905 491720794 /nfs/dbraw/zinc/72/07/94/491720794.db2.gz POODPDITBOSCTL-LJQANCHMSA-N 1 0 350.459 0.717 40 0 FCABRO O[C@H]1CC[N@H+](CC2(O)CCOCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585282381 491720974 /nfs/dbraw/zinc/72/09/74/491720974.db2.gz IPAJYFLLYFHLSH-WMZOPIPTSA-N 1 0 373.396 0.683 40 0 FCABRO Cc1cccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 ZINC000585284653 491721188 /nfs/dbraw/zinc/72/11/88/491721188.db2.gz UMGFQESDYXIZIR-ROUUACIJSA-N 1 0 359.470 0.868 40 0 FCABRO CN1C(=O)CO[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]21 ZINC000585282564 491721390 /nfs/dbraw/zinc/72/13/90/491721390.db2.gz GZSUMEAHCNIOCF-IRXDYDNUSA-N 1 0 363.433 0.698 40 0 FCABRO CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585289258 491721798 /nfs/dbraw/zinc/72/17/98/491721798.db2.gz GWDHWLOGJVKIER-JLAAOLFFSA-N 1 0 362.474 0.896 40 0 FCABRO Cn1nccc1/C=C/C(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1 ZINC000585290055 491721804 /nfs/dbraw/zinc/72/18/04/491721804.db2.gz QVAYSXSJPRMZBK-ZFRRBFPSSA-N 1 0 362.474 0.896 40 0 FCABRO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1)c1ccc(F)c(Cl)c1 ZINC000020465010 526629937 /nfs/dbraw/zinc/62/99/37/526629937.db2.gz VVYZTEQCBDCHPW-FXUDXRNXSA-N 1 0 372.824 0.794 40 0 biogenic,in-vitro FCABRO C[N@@H+]1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cnco2)CC1 ZINC001772595214 1180025832 /nfs/dbraw/zinc/02/58/32/1180025832.db2.gz COSHTKHDUNBNQV-OAHLLOKOSA-N 1 0 373.457 0.475 40 0 FCABRO O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1[NH2+]C1CCOCC1 ZINC001549160706 1267841969 /nfs/dbraw/zinc/84/19/69/1267841969.db2.gz GXSUVMLSXMWXCN-RCCFBDPRSA-N 1 0 362.405 0.981 40 0 FCABRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000187171370 209206244 /nfs/dbraw/zinc/20/62/44/209206244.db2.gz AYLCYPAKUZIWPG-HNNXBMFYSA-N 1 0 364.421 0.953 40 0 FCABRO CC1(C)O[C@H]2O[C@H]3[C@@H](O[C@@H](c4ccccc4)O[C@H]3C[NH2+]CCO)[C@H]2O1 ZINC000004777510 204163059 /nfs/dbraw/zinc/16/30/59/204163059.db2.gz WNXSLSQRNSYQQJ-MHKQFDIHSA-N 1 0 351.399 0.928 40 0 FCABRO CC(C)[C@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000049604876 205174756 /nfs/dbraw/zinc/17/47/56/205174756.db2.gz SOODLZHDDSGRKL-MIMASFHYSA-N 1 0 353.415 0.244 40 0 FCABRO COCC(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952850 205929148 /nfs/dbraw/zinc/92/91/48/205929148.db2.gz CHUKXAXKJDZGJP-FQEVSTJZSA-N 1 0 372.469 0.659 40 0 FCABRO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+](C)C)C2)cnn1C ZINC000002732441 487470385 /nfs/dbraw/zinc/47/03/85/487470385.db2.gz WWFHPCDONOQWJK-AWEZNQCLSA-N 1 0 371.507 0.197 40 0 FCABRO CCS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1 ZINC000306127883 488893410 /nfs/dbraw/zinc/89/34/10/488893410.db2.gz GJVIKGOUDCZKTA-HNNXBMFYSA-N 1 0 356.492 0.681 40 0 FCABRO Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000306131826 488894615 /nfs/dbraw/zinc/89/46/15/488894615.db2.gz KQJZYQIXUJYREN-AWEZNQCLSA-N 1 0 350.448 0.458 40 0 FCABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 ZINC000306143237 488895343 /nfs/dbraw/zinc/89/53/43/488895343.db2.gz XWXMTMCIBLIUMU-UONOGXRCSA-N 1 0 355.446 0.691 40 0 FCABRO COc1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1Cl ZINC000013672452 487566604 /nfs/dbraw/zinc/56/66/04/487566604.db2.gz QIRFXXQTSGIWBF-UHFFFAOYSA-N 1 0 363.867 0.792 40 0 FCABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)C[NH+](C)C)c3ncccc23)C1 ZINC000019016537 487602632 /nfs/dbraw/zinc/60/26/32/487602632.db2.gz BZRFREPAVOPUJJ-AWEZNQCLSA-N 1 0 358.446 0.445 40 0 FCABRO C[C@@H]1CN(CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)C[C@@H](C)O1 ZINC000019497427 487604389 /nfs/dbraw/zinc/60/43/89/487604389.db2.gz VLWVMHRSGCAWJL-OAGGEKHMSA-N 1 0 373.501 0.938 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C[NH2+]C)cc(NC)n1 ZINC000019759684 487606521 /nfs/dbraw/zinc/60/65/21/487606521.db2.gz XWAGXOPSGUIGEP-ZDUSSCGKSA-N 1 0 356.496 0.961 40 0 FCABRO CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760718 487607118 /nfs/dbraw/zinc/60/71/18/487607118.db2.gz CHWZJWTVWJJBQK-ZDUSSCGKSA-N 1 0 356.496 0.961 40 0 FCABRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334446 488379657 /nfs/dbraw/zinc/37/96/57/488379657.db2.gz JCFWAFLSXJGXOY-GZRFBZBPSA-N 1 0 357.454 0.768 40 0 FCABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cn1 ZINC000072380517 488379817 /nfs/dbraw/zinc/37/98/17/488379817.db2.gz GRSBQEITNADWLY-OAHLLOKOSA-N 1 0 358.446 0.995 40 0 FCABRO Cc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1C ZINC000242414777 488459884 /nfs/dbraw/zinc/45/98/84/488459884.db2.gz BGZAFGZFLMGSSA-UHFFFAOYSA-N 1 0 369.487 0.518 40 0 FCABRO CC(=O)[C@]1(O)C=C[C@H]2[C@H]3CC4=CC[C@@](O)(C(C)=O)C5=C4[C@@]2(CC[N@H+]3C)[C@H]1O5 ZINC000095932122 488487401 /nfs/dbraw/zinc/48/74/01/488487401.db2.gz SFFRCZUXEZQRMF-GOLUYEDUSA-N 1 0 371.433 0.890 40 0 FCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108319 488488906 /nfs/dbraw/zinc/48/89/06/488488906.db2.gz TYQIMWRSLOMFLR-CJNGLKHVSA-N 1 0 354.428 0.413 40 0 FCABRO C[NH+](C)CC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 ZINC000096263859 488491150 /nfs/dbraw/zinc/49/11/50/488491150.db2.gz TXGCZLZKYQGTTL-STQMWFEESA-N 1 0 353.444 0.279 40 0 FCABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000257255412 488523842 /nfs/dbraw/zinc/52/38/42/488523842.db2.gz KHIZHCGTXUWFNQ-LJQANCHMSA-N 1 0 358.442 0.987 40 0 FCABRO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)[nH]c(=O)n1 ZINC000257250037 488523876 /nfs/dbraw/zinc/52/38/76/488523876.db2.gz JKSOQNVFPILXBG-OAHLLOKOSA-N 1 0 356.373 0.799 40 0 FCABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000257255411 488524339 /nfs/dbraw/zinc/52/43/39/488524339.db2.gz KHIZHCGTXUWFNQ-IBGZPJMESA-N 1 0 358.442 0.987 40 0 FCABRO Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257283997 488524742 /nfs/dbraw/zinc/52/47/42/488524742.db2.gz PAUSNMKUTLHFKL-IIAWOOMASA-N 1 0 356.492 0.727 40 0 FCABRO Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c1 ZINC000257290801 488525131 /nfs/dbraw/zinc/52/51/31/488525131.db2.gz QEJGLNPZFLAEHB-ZDUSSCGKSA-N 1 0 351.432 0.420 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cncs3)C2)CC1 ZINC000257304843 488525315 /nfs/dbraw/zinc/52/53/15/488525315.db2.gz SNJONHDTGCNRPB-INIZCTEOSA-N 1 0 352.460 0.321 40 0 FCABRO Cc1nc(CC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)cs1 ZINC000257316874 488526029 /nfs/dbraw/zinc/52/60/29/488526029.db2.gz VHJDKWKZRWSTIE-HOTGVXAUSA-N 1 0 352.504 0.593 40 0 FCABRO CCc1ccc(S(=O)(=O)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575422858 491553410 /nfs/dbraw/zinc/55/34/10/491553410.db2.gz WZLJFPQPCXDUCZ-OAHLLOKOSA-N 1 0 360.501 0.694 40 0 FCABRO COc1ccc(C(=O)CNCC[NH2+][C@H]2CCS(=O)(=O)C2)cc1OC ZINC000575424632 491553687 /nfs/dbraw/zinc/55/36/87/491553687.db2.gz UVBKUIPGMJZACV-ZDUSSCGKSA-N 1 0 356.444 0.253 40 0 FCABRO CN1CCN([C@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)CC1 ZINC000585273848 491720699 /nfs/dbraw/zinc/72/06/99/491720699.db2.gz SFGSHYPOQVHNOZ-SFTDATJTSA-N 1 0 374.529 0.311 40 0 FCABRO CCN(C(=O)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585286971 491721297 /nfs/dbraw/zinc/72/12/97/491721297.db2.gz 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362.459 0.619 40 0 biogenic,in-vitro FCABRO CC1(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)COC1 ZINC000285461613 213345711 /nfs/dbraw/zinc/34/57/11/213345711.db2.gz NCDJGVXAUXJVKW-UHFFFAOYSA-N 1 0 354.472 0.975 40 0 FCABRO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCN3CCOCC3)C2=O)cc1 ZINC000100619740 206223983 /nfs/dbraw/zinc/22/39/83/206223983.db2.gz LEZLTMJBJTUTPB-MRXNPFEDSA-N 1 0 360.414 0.199 40 0 FCABRO COCCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O ZINC000015675194 206316245 /nfs/dbraw/zinc/31/62/45/206316245.db2.gz HNHRULKOIUXDIR-HDEZJCGLSA-N 1 0 372.849 0.072 40 0 biogenic,in-vitro FCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C[C@@H]2C[C@@]1(C)O ZINC000257253244 206607739 /nfs/dbraw/zinc/60/77/39/206607739.db2.gz JYCRWKDKVYDBBY-AAJLLMFJSA-N 1 0 351.447 0.810 40 0 FCABRO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1cncn1C)CC2 ZINC000257308442 206621180 /nfs/dbraw/zinc/62/11/80/206621180.db2.gz TWRVCQAMKZACQH-KRWDZBQOSA-N 1 0 350.463 0.632 40 0 FCABRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257318645 206624012 /nfs/dbraw/zinc/62/40/12/206624012.db2.gz VOWGFTOSFOQODH-GDBMZVCRSA-N 1 0 359.417 0.692 40 0 FCABRO Cc1cn([C@H]2[C@H](O)C[C@H](C[NH2+][C@@H](C)c3ccccc3)[C@@H]2O)c(=O)[nH]c1=O ZINC000257324851 206624819 /nfs/dbraw/zinc/62/48/19/206624819.db2.gz WQLKFPNXVJALKO-WFKFIOEPSA-N 1 0 359.426 0.891 40 0 FCABRO Cn1c2c(nc1C(=O)N1CCC[N@H+](C)CC1)CN(c1ncccn1)CC2 ZINC000096264877 132224542 /nfs/dbraw/zinc/22/45/42/132224542.db2.gz FYMLBNQTUWMCHN-UHFFFAOYSA-N 1 0 355.446 0.551 40 0 FCABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 ZINC000514288616 263775467 /nfs/dbraw/zinc/77/54/67/263775467.db2.gz JDQZIHQQUMFLTR-HRCADAONSA-N 1 0 368.865 0.837 40 0 biogenic,in-vitro FCABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131751 488894403 /nfs/dbraw/zinc/89/44/03/488894403.db2.gz KOSSYKBARAHEOB-JKSUJKDBSA-N 1 0 353.426 0.829 40 0 FCABRO CCn1nc2n(c(=O)c1=O)C[C@H]1CC[N@@H+](Cc3cccnc3OC)C[C@H]21 ZINC000306140292 488894494 /nfs/dbraw/zinc/89/44/94/488894494.db2.gz UPABOSOATSDCAJ-OCCSQVGLSA-N 1 0 357.414 0.448 40 0 FCABRO Cn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cn1 ZINC000306142425 488894533 /nfs/dbraw/zinc/89/45/33/488894533.db2.gz WZEKLWVTUAKFEG-KGLIPLIRSA-N 1 0 355.446 0.598 40 0 FCABRO O=C(NC[C@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1)c1ccnnc1 ZINC000306136911 488894644 /nfs/dbraw/zinc/89/46/44/488894644.db2.gz QGKXENNGVMSFLW-MRXNPFEDSA-N 1 0 370.457 0.962 40 0 FCABRO CCn1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cn1 ZINC000306131031 488894653 /nfs/dbraw/zinc/89/46/53/488894653.db2.gz JVDLSIZXVNOOEL-BFYDXBDKSA-N 1 0 356.430 0.570 40 0 FCABRO O=C(c1cn2c(nc1=O)CC1(C2)CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000306132009 488894691 /nfs/dbraw/zinc/89/46/91/488894691.db2.gz KVNPWZYHYJFNPT-UHFFFAOYSA-N 1 0 372.469 0.764 40 0 FCABRO COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@@H]3CCC[NH2+]3)C1)O2 ZINC000012122842 487548832 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C[N@@H+]1CCc2nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 ZINC000019590487 487605462 /nfs/dbraw/zinc/60/54/62/487605462.db2.gz ZFUBYUBWWLEOPC-AWEZNQCLSA-N 1 0 365.503 0.985 40 0 FCABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CN1CC(=O)NC1=O ZINC000019589224 487605711 /nfs/dbraw/zinc/60/57/11/487605711.db2.gz DFUPKXMHMYUSIC-IIDMSEBBSA-N 1 0 374.416 0.766 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(C[NH2+]C)cc(N(C)C)n1 ZINC000019760814 487606738 /nfs/dbraw/zinc/60/67/38/487606738.db2.gz SSONAGPXWAFUFF-CQSZACIVSA-N 1 0 370.523 0.986 40 0 FCABRO CN(C)C(=O)Cn1cccc(C(=O)NCc2ccccc2C[NH+](C)C)c1=O ZINC000019750011 487606862 /nfs/dbraw/zinc/60/68/62/487606862.db2.gz LSAHQZDNCRJIIZ-UHFFFAOYSA-N 1 0 370.453 0.928 40 0 FCABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000022581680 487621821 /nfs/dbraw/zinc/62/18/21/487621821.db2.gz HGAVJENEOGOUSY-AWEZNQCLSA-N 1 0 357.458 0.608 40 0 FCABRO C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2)C[C@](O)(Cn2cncn2)C1 ZINC000072354535 488379745 /nfs/dbraw/zinc/37/97/45/488379745.db2.gz NUUPQZXZRNBYLG-SFHVURJKSA-N 1 0 361.421 0.555 40 0 FCABRO COc1ccc(N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000224006492 488449523 /nfs/dbraw/zinc/44/95/23/488449523.db2.gz UZCMKTZDXARUTL-UHFFFAOYSA-N 1 0 357.476 0.919 40 0 FCABRO COc1cccc(N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000224614555 488449579 /nfs/dbraw/zinc/44/95/79/488449579.db2.gz QGNJCYUAOKKCRH-UHFFFAOYSA-N 1 0 357.476 0.919 40 0 FCABRO CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000096113103 488489008 /nfs/dbraw/zinc/48/90/08/488489008.db2.gz YSCHBPATGWGKCS-DOTOQJQBSA-N 1 0 362.474 0.625 40 0 biogenic,in-vitro FCABRO O=C(c1cnccn1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096059586 488489057 /nfs/dbraw/zinc/48/90/57/488489057.db2.gz NWGCULHUYAMGQB-UHFFFAOYSA-N 1 0 354.414 0.675 40 0 FCABRO O=C(C1CCOCC1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096059594 488489107 /nfs/dbraw/zinc/48/91/07/488489107.db2.gz KWBPWFYSWJKKNP-UHFFFAOYSA-N 1 0 360.458 0.998 40 0 FCABRO O=C(c1ccnnc1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096197569 488490559 /nfs/dbraw/zinc/49/05/59/488490559.db2.gz XCOPJLUSLXJFAF-UHFFFAOYSA-N 1 0 354.414 0.675 40 0 FCABRO Cn1cnc(C(=O)N2CCC[C@]3(C[C@H](C[NH+]4CCN(C)CC4)CO3)C2)c1 ZINC000096228472 488491186 /nfs/dbraw/zinc/49/11/86/488491186.db2.gz BFWFHSQQVHOJFL-APWZRJJASA-N 1 0 361.490 0.679 40 0 FCABRO O=C(NC[C@]1(O)COCCN(Cc2cccc(O)c2)C1)c1ccccn1 ZINC000257298819 488525149 /nfs/dbraw/zinc/52/51/49/488525149.db2.gz RNKBHHVKRYPGGQ-LJQANCHMSA-N 1 0 357.410 0.781 40 0 FCABRO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000257308715 488526109 /nfs/dbraw/zinc/52/61/09/488526109.db2.gz TXVNJQJWEXADGT-KRWDZBQOSA-N 1 0 350.463 0.632 40 0 FCABRO C[C@]1(C(=O)NCCO)CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000257340575 488526424 /nfs/dbraw/zinc/52/64/24/488526424.db2.gz ZGSVKXDHMVWPEF-HXUWFJFHSA-N 1 0 361.486 0.982 40 0 FCABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000257343109 488526597 /nfs/dbraw/zinc/52/65/97/488526597.db2.gz ZRMWXSYRYKCYCN-HXUWFJFHSA-N 1 0 361.486 0.926 40 0 FCABRO CNC(=O)c1cnn2c1nccc2C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257337597 488526651 /nfs/dbraw/zinc/52/66/51/488526651.db2.gz YTMDYCXEBADOOO-UHFFFAOYSA-N 1 0 373.457 0.810 40 0 FCABRO O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@H]2CCCC[C@H]21 ZINC000137072983 488679753 /nfs/dbraw/zinc/67/97/53/488679753.db2.gz GHBJUKUERZIRHU-JKSUJKDBSA-N 1 0 367.470 0.657 40 0 FCABRO CN1CC[C@@H](NC(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175195021 488853268 /nfs/dbraw/zinc/85/32/68/488853268.db2.gz BURXIOYPPHCHQV-MSOLQXFVSA-N 1 0 374.485 0.962 40 0 FCABRO CN1CC[C@H](NC(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175195002 488853297 /nfs/dbraw/zinc/85/32/97/488853297.db2.gz BURXIOYPPHCHQV-ROUUACIJSA-N 1 0 374.485 0.962 40 0 FCABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000575425717 491553854 /nfs/dbraw/zinc/55/38/54/491553854.db2.gz HPWJBFNHEWCPPU-ZDUSSCGKSA-N 1 0 369.468 0.290 40 0 FCABRO C[C@@]1(N(CC[NH3+])S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575424347 491553866 /nfs/dbraw/zinc/55/38/66/491553866.db2.gz KAUKNZBKOAJNEQ-CYBMUJFWSA-N 1 0 366.892 0.867 40 0 FCABRO Cc1cc(C)c(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575424606 491553901 /nfs/dbraw/zinc/55/39/01/491553901.db2.gz UINAZLLLKFFATM-CQSZACIVSA-N 1 0 360.501 0.748 40 0 FCABRO O=S(=O)(NCC[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000575425799 491553949 /nfs/dbraw/zinc/55/39/49/491553949.db2.gz WXRYCEKZPYDFGT-LLVKDONJSA-N 1 0 352.865 0.395 40 0 FCABRO Cn1cnc(C(=O)N2CCC[C@@]3(CCN(CC4CC[NH+](C)CC4)C3=O)C2)n1 ZINC000585100985 491719422 /nfs/dbraw/zinc/71/94/22/491719422.db2.gz QPWFHHIEBOKJCQ-LJQANCHMSA-N 1 0 374.489 0.612 40 0 FCABRO C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000585101047 491719642 /nfs/dbraw/zinc/71/96/42/491719642.db2.gz ZHTIKMIROQAGJG-LJQANCHMSA-N 1 0 360.458 0.251 40 0 FCABRO CNC(=O)[C@@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)CN1CC1CC1 ZINC000585109370 491719826 /nfs/dbraw/zinc/71/98/26/491719826.db2.gz MASTWZOIRUHCTF-KRWDZBQOSA-N 1 0 361.490 0.875 40 0 FCABRO Cn1nnc2c1[C@@H](COCC[NH+]1CCCC1)CN(C(=O)C1(F)CC1)C2 ZINC000585110889 491720106 /nfs/dbraw/zinc/72/01/06/491720106.db2.gz UYFKASVQXYLCAY-CYBMUJFWSA-N 1 0 351.426 0.855 40 0 FCABRO C[C@]1(C(=O)NCCO)CCC[N@@H+]1Cc1ccc(OCCOCCO)cc1 ZINC000585269879 491720489 /nfs/dbraw/zinc/72/04/89/491720489.db2.gz OCHQLFSSHXNZMS-LJQANCHMSA-N 1 0 366.458 0.537 40 0 FCABRO CO[C@@H]1CC[N@H+](CC2(O)CCOCC2)C[C@H]1CC(=O)N1CCOCC1 ZINC000585276927 491720882 /nfs/dbraw/zinc/72/08/82/491720882.db2.gz KQXALSQHDYMNBX-HZPDHXFCSA-N 1 0 356.463 0.114 40 0 FCABRO CN(C)C(=O)C[C@@]1(O)COCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000585280620 491721155 /nfs/dbraw/zinc/72/11/55/491721155.db2.gz MDQAECYQELMWFZ-SFHVURJKSA-N 1 0 352.431 0.099 40 0 FCABRO C[NH+](C)CC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585284563 491721309 /nfs/dbraw/zinc/72/13/09/491721309.db2.gz TXLHIEOXQLPHIQ-QGZVFWFLSA-N 1 0 353.394 0.239 40 0 FCABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284492 491721341 /nfs/dbraw/zinc/72/13/41/491721341.db2.gz SQUUURJKJOWAEQ-WMZOPIPTSA-N 1 0 367.877 0.525 40 0 FCABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000585291530 491721667 /nfs/dbraw/zinc/72/16/67/491721667.db2.gz RIARWSBTAQMNEA-QUCCMNQESA-N 1 0 355.438 0.738 40 0 FCABRO Cn1nccc1/C=C/C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2 ZINC000585288959 491721800 /nfs/dbraw/zinc/72/18/00/491721800.db2.gz CCECBBGQJJYHTG-MMUANNJHSA-N 1 0 362.474 0.896 40 0 FCABRO CN1C(=O)CN(CC(=O)Nc2ccc3[nH]c(N4CCOCC4)nc3c2)C1=O ZINC000629949102 492708108 /nfs/dbraw/zinc/70/81/08/492708108.db2.gz NQSIVJLTAYGEJJ-UHFFFAOYSA-N 1 0 372.385 0.232 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)CC1 ZINC000952844882 836571934 /nfs/dbraw/zinc/57/19/34/836571934.db2.gz QUWOWKVUSOKKIB-DGXTUMSLSA-N 1 0 370.837 0.163 40 0 biogenic,in-vitro FCABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000003838653 291029703 /nfs/dbraw/zinc/02/97/03/291029703.db2.gz RFWDZGQDCGMZRD-XHSDSOJGSA-N 1 0 370.457 0.813 40 0 biogenic,in-vitro FCABRO C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)C[N@@H+]3CC[C@@H](OC1=O)[C@H]23 ZINC000005080893 204190559 /nfs/dbraw/zinc/19/05/59/204190559.db2.gz YEXVXKIMPBHRQR-RPFXJPNESA-N 1 0 353.415 0.244 40 0 FCABRO Cc1nc(N)[nH]c(=O)c1CCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000005891103 204229431 /nfs/dbraw/zinc/22/94/31/204229431.db2.gz BJITWDCIAXNTIR-UHFFFAOYSA-N 1 0 351.432 0.030 40 0 FCABRO COc1ccc(Cl)cc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000013613544 204540236 /nfs/dbraw/zinc/54/02/36/204540236.db2.gz OKAKBXDXSXUHMC-UHFFFAOYSA-N 1 0 363.867 0.792 40 0 FCABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)c1ccccc1 ZINC000077265427 205039361 /nfs/dbraw/zinc/03/93/61/205039361.db2.gz NSFBCOMQMAYJAQ-ZACQAIPSSA-N 1 0 363.439 0.278 40 0 biogenic,in-vitro FCABRO CN(C)S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000113936582 206093347 /nfs/dbraw/zinc/09/33/47/206093347.db2.gz GJMQAISQBVOKFI-UHFFFAOYSA-N 1 0 354.476 0.510 40 0 FCABRO CCS(=O)(=O)NC[C@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1 ZINC000306127884 488893550 /nfs/dbraw/zinc/89/35/50/488893550.db2.gz GJVIKGOUDCZKTA-OAHLLOKOSA-N 1 0 356.492 0.681 40 0 FCABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306139411 488894105 /nfs/dbraw/zinc/89/41/05/488894105.db2.gz SWOHFBWQSCKRHO-ZBFHGGJFSA-N 1 0 353.426 0.829 40 0 FCABRO Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2ccnn2C[C@H](C[NH+](C)C)C1 ZINC000306133932 488894775 /nfs/dbraw/zinc/89/47/75/488894775.db2.gz MZQJUXSGQNJBQG-CQSZACIVSA-N 1 0 366.491 0.616 40 0 FCABRO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)c1 ZINC000306143447 488895261 /nfs/dbraw/zinc/89/52/61/488895261.db2.gz YCOVHXXXSVMSJM-IBGZPJMESA-N 1 0 356.426 0.734 40 0 FCABRO C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000019078513 487602607 /nfs/dbraw/zinc/60/26/07/487602607.db2.gz UXZKSTJTCSOYCN-GJZGRUSLSA-N 1 0 359.474 0.549 40 0 FCABRO C[C@H](C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1)N1CCCC1=O ZINC000019078099 487602685 /nfs/dbraw/zinc/60/26/85/487602685.db2.gz COXCHCXFULHFCE-CYBMUJFWSA-N 1 0 357.458 0.839 40 0 FCABRO Cc1ccc2c(c1)N(CC(=O)NCCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC000022938925 487627158 /nfs/dbraw/zinc/62/71/58/487627158.db2.gz ARKHJGMDNYOGGO-UHFFFAOYSA-N 1 0 360.458 0.474 40 0 FCABRO Cc1ccccc1Cn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000062720581 488301121 /nfs/dbraw/zinc/30/11/21/488301121.db2.gz OTMBEZWICHFXHF-UHFFFAOYSA-N 1 0 368.441 0.200 40 0 FCABRO CC(C)N1CCN(S(=O)(=O)c2cnccc2N2CC[NH2+]CC2)CC1 ZINC000072210673 488379409 /nfs/dbraw/zinc/37/94/09/488379409.db2.gz USVMGHMFHLJBCJ-UHFFFAOYSA-N 1 0 353.492 0.206 40 0 FCABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C(=O)N1Cc1ccccc1 ZINC000225386039 488450199 /nfs/dbraw/zinc/45/01/99/488450199.db2.gz WHLVJJOZWAUELW-MSOLQXFVSA-N 1 0 369.465 0.988 40 0 biogenic,in-vitro FCABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1 ZINC000096108383 488489258 /nfs/dbraw/zinc/48/92/58/488489258.db2.gz NRGNACLRNZQRSM-CJNGLKHVSA-N 1 0 355.460 0.822 40 0 FCABRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)n1 ZINC000096207750 488490414 /nfs/dbraw/zinc/49/04/14/488490414.db2.gz AOHJUDMOCLFQHE-PBHICJAKSA-N 1 0 351.472 0.920 40 0 FCABRO CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(S(C)(=O)=O)CC3(C)C)C2)CC1 ZINC000253406496 488520078 /nfs/dbraw/zinc/52/00/78/488520078.db2.gz UQMUNHWYRYBNHU-INIZCTEOSA-N 1 0 372.535 0.037 40 0 biogenic,in-vitro FCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2CC(=O)Nc2cnn(C)c2C)c1 ZINC000257213274 488523656 /nfs/dbraw/zinc/52/36/56/488523656.db2.gz CGVVFPRZVBQSEQ-QGZVFWFLSA-N 1 0 370.457 0.673 40 0 FCABRO [NH3+]Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)cc1 ZINC000257238677 488523955 /nfs/dbraw/zinc/52/39/55/488523955.db2.gz HMATUSROAUNXNV-DOTOQJQBSA-N 1 0 351.410 0.864 40 0 FCABRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)cc1CO ZINC000257274147 488524596 /nfs/dbraw/zinc/52/45/96/488524596.db2.gz NJTITWUPBCDHGF-QZTJIDSGSA-N 1 0 352.431 0.011 40 0 FCABRO CCN(CC)S(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257262981 488524878 /nfs/dbraw/zinc/52/48/78/488524878.db2.gz LNVYFYDQVRRXSG-ZDUSSCGKSA-N 1 0 355.451 0.741 40 0 FCABRO CC(=O)N1CCC([N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000257277362 488524896 /nfs/dbraw/zinc/52/48/96/488524896.db2.gz NXRQOVKQLHGXSY-IRXDYDNUSA-N 1 0 351.447 0.088 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000257298833 488525208 /nfs/dbraw/zinc/52/52/08/488525208.db2.gz RNLDTSGPVGBQNJ-SFHVURJKSA-N 1 0 363.462 0.367 40 0 FCABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)CCc3cc(Cl)no3)C2)CC1 ZINC000257288263 488525337 /nfs/dbraw/zinc/52/53/37/488525337.db2.gz PTOFIQUECOOWNL-MRXNPFEDSA-N 1 0 356.854 0.471 40 0 FCABRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCNC(=O)c2cncc(O)c2)CC1 ZINC000257306578 488525457 /nfs/dbraw/zinc/52/54/57/488525457.db2.gz SUXFWFPFRXEVIP-SFHVURJKSA-N 1 0 364.446 0.212 40 0 FCABRO C[NH+](C)Cc1cccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 ZINC000257289237 488525487 /nfs/dbraw/zinc/52/54/87/488525487.db2.gz PXRWPWHXZQZYKK-MRXNPFEDSA-N 1 0 354.476 0.857 40 0 FCABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000257343108 488526611 /nfs/dbraw/zinc/52/66/11/488526611.db2.gz ZRMWXSYRYKCYCN-FQEVSTJZSA-N 1 0 361.486 0.926 40 0 FCABRO CC1(C)CC(NC(=O)C(=O)NCCCN2CCOCC2)CC(C)(C)[NH2+]1 ZINC000170369905 488813629 /nfs/dbraw/zinc/81/36/29/488813629.db2.gz CYGLQBGNVAUVBF-UHFFFAOYSA-N 1 0 354.495 0.250 40 0 FCABRO COCCNC(=O)N[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O ZINC000514289039 490768701 /nfs/dbraw/zinc/76/87/01/490768701.db2.gz OPEUZBUKPAGART-YESZJQIVSA-N 1 0 351.447 0.235 40 0 biogenic,in-vitro FCABRO O=C1N[C@@H]2C[NH2+][C@@H](C2)C(=O)NC[C@@H]2CCC[C@@H](CCOc3ccccc31)O2 ZINC000514287469 490768753 /nfs/dbraw/zinc/76/87/53/490768753.db2.gz DUDFKIKTZJBMGR-JKQORVJESA-N 1 0 373.453 0.983 40 0 FCABRO C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585110543 491720239 /nfs/dbraw/zinc/72/02/39/491720239.db2.gz UHHOLKMCZXQXBK-UHFFFAOYSA-N 1 0 362.409 0.937 40 0 FCABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285339 491721350 /nfs/dbraw/zinc/72/13/50/491721350.db2.gz XRHJCEPAKZFXTK-INIZCTEOSA-N 1 0 357.451 0.149 40 0 FCABRO CC(C)[N@H+](CCO)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283648 491721455 /nfs/dbraw/zinc/72/14/55/491721455.db2.gz GIKHZCPKFAKPAC-PKOBYXMFSA-N 1 0 350.459 0.256 40 0 FCABRO CN1CCC[N@H+](C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585284390 491721475 /nfs/dbraw/zinc/72/14/75/491721475.db2.gz KRLUCUXAJVOWCL-AZUAARDMSA-N 1 0 361.486 0.191 40 0 FCABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ncccc3C)[C@@H](O)[C@H]2O1 ZINC000604381643 492059587 /nfs/dbraw/zinc/05/95/87/492059587.db2.gz IXYPZCDHHWNSDS-ZLJHSHKTSA-N 1 0 363.458 0.682 40 0 biogenic,in-vitro FCABRO CC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CCN12 ZINC001772595418 1180032360 /nfs/dbraw/zinc/03/23/60/1180032360.db2.gz UTAULTQKOZFBOP-GOSISDBHSA-N 1 0 356.470 0.983 40 0 FCABRO Cn1cc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)cn1 ZINC000952844857 1206208050 /nfs/dbraw/zinc/20/80/50/1206208050.db2.gz OIORURCXBPPWFQ-HSFUPAIVSA-N 1 0 355.398 0.585 40 0 biogenic,in-vitro FCABRO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C)[N@@H+]2C)cc1 ZINC000035442421 204279485 /nfs/dbraw/zinc/27/94/85/204279485.db2.gz FSUAJYDIWQXNGZ-WDYCEAGBSA-N 1 0 374.485 0.595 40 0 biogenic,in-vitro FCABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000030873060 204913315 /nfs/dbraw/zinc/91/33/15/204913315.db2.gz UPCYBSKDEVOVIU-MRXNPFEDSA-N 1 0 374.551 0.743 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000054112907 205197389 /nfs/dbraw/zinc/19/73/89/205197389.db2.gz SKRXTHMILLGYIN-HZPDHXFCSA-N 1 0 358.442 0.949 40 0 FCABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)C=C1NNC(=O)[C@H]2C=CC=C[C@H]12 ZINC000100767684 206225264 /nfs/dbraw/zinc/22/52/64/206225264.db2.gz KTADHUSRTUUTIQ-PMPSAXMXSA-N 1 0 359.474 0.363 40 0 FCABRO COC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000022587428 206380176 /nfs/dbraw/zinc/38/01/76/206380176.db2.gz WLZVVVYNUWCIER-QGZVFWFLSA-N 1 0 374.441 0.724 40 0 FCABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+](C)C)cc1OC ZINC000224861000 206465719 /nfs/dbraw/zinc/46/57/19/206465719.db2.gz UOFRQAZCBCVQKP-UHFFFAOYSA-N 1 0 373.475 0.392 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)CC1 ZINC000225502265 206483117 /nfs/dbraw/zinc/48/31/17/206483117.db2.gz BYMSSPHGCYFXOO-OPNNQBFTSA-N 1 0 363.458 0.480 40 0 biogenic,in-vitro FCABRO CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000257207409 206597961 /nfs/dbraw/zinc/59/79/61/206597961.db2.gz BHPYRIKGGXZMJR-UHFFFAOYSA-N 1 0 370.457 0.891 40 0 FCABRO Cc1cn([C@@H]2C[C@@H](C[NH2+][C@@H](C)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000257256755 206609452 /nfs/dbraw/zinc/60/94/52/206609452.db2.gz KMTKPWFRGBTCLC-WSOGKROESA-N 1 0 359.426 0.891 40 0 FCABRO O=C(c1cnccn1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330245 132282993 /nfs/dbraw/zinc/28/29/93/132282993.db2.gz MHNFBINYPCORRB-UHFFFAOYSA-N 1 0 355.402 0.066 40 0 FCABRO Cn1cc(C[N@@H+]2CC[C@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 ZINC000306125715 488893564 /nfs/dbraw/zinc/89/35/64/488893564.db2.gz CZJOFBKTEPHQPQ-SFHVURJKSA-N 1 0 366.429 0.320 40 0 FCABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cc1 ZINC000306126794 488893774 /nfs/dbraw/zinc/89/37/74/488893774.db2.gz FFKXDDFZBFKRKI-SFHVURJKSA-N 1 0 358.398 0.126 40 0 FCABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3ccco3)C1)OC2 ZINC000306128382 488894043 /nfs/dbraw/zinc/89/40/43/488894043.db2.gz GZAKSOSXHQWCLC-GOSISDBHSA-N 1 0 360.414 0.829 40 0 FCABRO CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C[NH+](C)C)c3ncccc23)C1 ZINC000019016535 487603174 /nfs/dbraw/zinc/60/31/74/487603174.db2.gz BZRFREPAVOPUJJ-CQSZACIVSA-N 1 0 358.446 0.445 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019526470 487603956 /nfs/dbraw/zinc/60/39/56/487603956.db2.gz IYZSAFPVKDWESV-UHFFFAOYSA-N 1 0 353.492 0.888 40 0 FCABRO CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019526963 487603965 /nfs/dbraw/zinc/60/39/65/487603965.db2.gz AZCAIEHFACQDIY-KBPBESRZSA-N 1 0 357.458 0.697 40 0 FCABRO CC1CC[NH+](CC2(NC(=O)CN3CCNC(=O)C3)CCCCC2)CC1 ZINC000019660368 487605539 /nfs/dbraw/zinc/60/55/39/487605539.db2.gz BPCJOPOGUMUMET-UHFFFAOYSA-N 1 0 350.507 0.969 40 0 FCABRO CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1C[N@H+](C)CC2 ZINC000019713036 487607021 /nfs/dbraw/zinc/60/70/21/487607021.db2.gz ALQDGXUVAMGDDS-CZUORRHYSA-N 1 0 355.435 0.657 40 0 FCABRO C[NH+]1CCC(NC2(Cc3cc(CN4CCOCC4)on3)COC2)CC1 ZINC000067898405 488357818 /nfs/dbraw/zinc/35/78/18/488357818.db2.gz MPHWRQYIKDFQJU-UHFFFAOYSA-N 1 0 350.463 0.502 40 0 biogenic,in-vitro FCABRO O=C(C[NH+]1CCC(c2cncc(-n3ccnc3)n2)CC1)N1CCOCC1 ZINC000072355547 488379864 /nfs/dbraw/zinc/37/98/64/488379864.db2.gz SQVOYPZXNHWZIV-UHFFFAOYSA-N 1 0 356.430 0.701 40 0 FCABRO CN(C)C(=O)COC[C@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096044885 488488539 /nfs/dbraw/zinc/48/85/39/488488539.db2.gz UZHXFXBEYACRRR-OAHLLOKOSA-N 1 0 350.463 0.851 40 0 FCABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096055950 488488804 /nfs/dbraw/zinc/48/88/04/488488804.db2.gz NFYLJJQIXXZEAB-QAPCUYQASA-N 1 0 355.479 0.298 40 0 FCABRO C[NH+](C)CC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 ZINC000096077516 488489133 /nfs/dbraw/zinc/48/91/33/488489133.db2.gz RJRLMMKIGKBXGG-IBGZPJMESA-N 1 0 359.426 0.975 40 0 FCABRO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2N1S(C)(=O)=O ZINC000096182841 488490081 /nfs/dbraw/zinc/49/00/81/488490081.db2.gz RMUMAAKRBPONFD-OAGGEKHMSA-N 1 0 351.472 0.575 40 0 FCABRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cnccn1)CCC2 ZINC000096197560 488490243 /nfs/dbraw/zinc/49/02/43/488490243.db2.gz VYZZXGKQJFCNCY-UHFFFAOYSA-N 1 0 356.430 0.920 40 0 FCABRO CN(C)C(=O)N1C[C@@]2(CO[C@@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000096262889 488490802 /nfs/dbraw/zinc/49/08/02/488490802.db2.gz XMZUCVLCUGVFBG-APWZRJJASA-N 1 0 360.458 0.893 40 0 FCABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@@H]12 ZINC000248029462 488492643 /nfs/dbraw/zinc/49/26/43/488492643.db2.gz KTADHUSRTUUTIQ-BZUAXINKSA-N 1 0 359.474 0.363 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257202946 488522972 /nfs/dbraw/zinc/52/29/72/488522972.db2.gz ANYVKRQQEBLNNL-SFHVURJKSA-N 1 0 363.462 0.367 40 0 FCABRO C[NH+](C)Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257208288 488523461 /nfs/dbraw/zinc/52/34/61/488523461.db2.gz BLMYMLCEVVCWKE-LJQANCHMSA-N 1 0 355.442 0.909 40 0 FCABRO CCn1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1C ZINC000257231080 488523523 /nfs/dbraw/zinc/52/35/23/488523523.db2.gz GFDHRMIPXBDIQV-IIAWOOMASA-N 1 0 356.492 0.868 40 0 FCABRO Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257233653 488523892 /nfs/dbraw/zinc/52/38/92/488523892.db2.gz GQDFHQCVNDCQFI-BGTYHANMSA-N 1 0 371.441 0.590 40 0 FCABRO O=C(NC[C@@]1(O)COCCN(Cc2cccc(O)c2)C1)c1ccccn1 ZINC000257298818 488525295 /nfs/dbraw/zinc/52/52/95/488525295.db2.gz RNKBHHVKRYPGGQ-IBGZPJMESA-N 1 0 357.410 0.781 40 0 FCABRO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257289436 488525443 /nfs/dbraw/zinc/52/54/43/488525443.db2.gz PYORIRZZHBHWRN-BDXSIMOUSA-N 1 0 363.458 0.560 40 0 FCABRO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(C[NH+](C4CCOCC4)C3)N2C1 ZINC000514290123 490768456 /nfs/dbraw/zinc/76/84/56/490768456.db2.gz UAHJNZLUOTXNJN-RBUKOAKNSA-N 1 0 358.486 0.566 40 0 biogenic,in-vitro FCABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514288805 490768763 /nfs/dbraw/zinc/76/87/63/490768763.db2.gz DKYHBTFIOFFNHR-OKZBNKHCSA-N 1 0 363.458 0.331 40 0 biogenic,in-vitro FCABRO CC(=O)N1CCN(C[C@@H]2OC[C@H]([NH2+]C3Cc4ccccc4C3)[C@H]2O)CC1 ZINC000514288399 490768945 /nfs/dbraw/zinc/76/89/45/490768945.db2.gz CNLCTBKUYCHGRV-SLFFLAALSA-N 1 0 359.470 0.036 40 0 biogenic,in-vitro FCABRO CCc1ccc(S(=O)(=O)NCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575422856 491553443 /nfs/dbraw/zinc/55/34/43/491553443.db2.gz WZLJFPQPCXDUCZ-HNNXBMFYSA-N 1 0 360.501 0.694 40 0 FCABRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286277 491721262 /nfs/dbraw/zinc/72/12/62/491721262.db2.gz WEUBXQNZGGOIHI-JENIJYKNSA-N 1 0 369.421 0.635 40 0 FCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CC2CCOCC2)[C@@H](O)C1 ZINC000585286074 491721348 /nfs/dbraw/zinc/72/13/48/491721348.db2.gz UZVDFFPKECTONE-ICSRJNTNSA-N 1 0 362.470 0.570 40 0 FCABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285343 491721483 /nfs/dbraw/zinc/72/14/83/491721483.db2.gz XRHJCEPAKZFXTK-MRXNPFEDSA-N 1 0 357.451 0.149 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801533 521092851 /nfs/dbraw/zinc/09/28/51/521092851.db2.gz DYUHJOYMCBUMHL-HOTGVXAUSA-N 1 0 372.425 0.475 40 0 FCABRO C[NH+](C)CCN1CC[C@@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O ZINC000585093491 546523978 /nfs/dbraw/zinc/52/39/78/546523978.db2.gz ZQRKUCXTPNXNPO-SEEARECTSA-N 1 0 359.417 0.405 40 0 FCABRO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(OC)c1OC ZINC000008469953 204332043 /nfs/dbraw/zinc/33/20/43/204332043.db2.gz WNHMZHCDYCXXTQ-UHFFFAOYSA-N 1 0 351.363 0.197 40 0 FCABRO Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC[NH3+])[C@@H]3CO)cc2)no1 ZINC000072321363 205031006 /nfs/dbraw/zinc/03/10/06/205031006.db2.gz TWPLGGRBUQZOLO-NVXWUHKLSA-N 1 0 374.397 0.455 40 0 biogenic,in-vitro FCABRO CS(=O)(=O)c1ccc(OC[C@@]2(C[NH2+]CC3CC3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283936 206243106 /nfs/dbraw/zinc/24/31/06/206243106.db2.gz PRPHPRSRSYUAOH-PIIMJCKOSA-N 1 0 369.483 0.971 40 0 biogenic,in-vitro FCABRO CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1O ZINC000012483634 206292227 /nfs/dbraw/zinc/29/22/27/206292227.db2.gz OBXINIZUQJRJAV-HSFUPAIVSA-N 1 0 350.415 0.700 40 0 biogenic,in-vitro FCABRO Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC[NH+]4CCCC4)O[C@H]3C2)nn1 ZINC000096043214 132217189 /nfs/dbraw/zinc/21/71/89/132217189.db2.gz MYQIEMFUZNKZQH-BBWFWOEESA-N 1 0 359.474 0.981 40 0 FCABRO C[C@@H](C(=O)NCC[NH+](C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111682 487531705 /nfs/dbraw/zinc/53/17/05/487531705.db2.gz IKPIFHXQQJYJLH-LBPRGKRZSA-N 1 0 371.459 0.290 40 0 FCABRO C[NH+](C)CCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000012085662 487548122 /nfs/dbraw/zinc/54/81/22/487548122.db2.gz XOQOFJCPQDUGJH-LJQANCHMSA-N 1 0 374.441 0.195 40 0 FCABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000012360991 487552537 /nfs/dbraw/zinc/55/25/37/487552537.db2.gz QUCNBXQNAPTLIX-UHFFFAOYSA-N 1 0 374.441 0.513 40 0 FCABRO CN(C)C(=O)[C@H]1CN(C(=O)CCC[NH3+])C[C@@]12CCc1ccccc1C(=O)N2 ZINC000019580977 487605728 /nfs/dbraw/zinc/60/57/28/487605728.db2.gz AFWDZMVZHWOZDR-UZLBHIALSA-N 1 0 372.469 0.387 40 0 FCABRO CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760278 487606570 /nfs/dbraw/zinc/60/65/70/487606570.db2.gz UEUZCEZWWHFGJM-AWEZNQCLSA-N 1 0 370.523 0.986 40 0 FCABRO C[NH+](C)CC(=O)N1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019756895 487607148 /nfs/dbraw/zinc/60/71/48/487607148.db2.gz GAVVFOBUMKHGAE-AWEZNQCLSA-N 1 0 370.453 0.834 40 0 FCABRO CN(C)S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c1ccc(F)cc1 ZINC000020245447 487609125 /nfs/dbraw/zinc/60/91/25/487609125.db2.gz HORLYUMCRDHPAJ-UHFFFAOYSA-N 1 0 360.455 0.506 40 0 FCABRO C[NH+]1CCC(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000222750941 488447395 /nfs/dbraw/zinc/44/73/95/488447395.db2.gz PKXOZPLSXFMYRY-MRXNPFEDSA-N 1 0 367.471 0.814 40 0 FCABRO COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)NS(C)(=O)=O)cc1 ZINC000225956914 488451383 /nfs/dbraw/zinc/45/13/83/488451383.db2.gz QMUVGCFOBXZBMY-OAHLLOKOSA-N 1 0 355.460 0.450 40 0 FCABRO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096082984 488489119 /nfs/dbraw/zinc/48/91/19/488489119.db2.gz VJHYAFUVVOHQCM-BRWVUGGUSA-N 1 0 363.483 0.843 40 0 FCABRO CN(C)C(=O)COC[C@@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096209419 488490323 /nfs/dbraw/zinc/49/03/23/488490323.db2.gz NGPHAJYBMZMPLT-INIZCTEOSA-N 1 0 350.463 0.896 40 0 FCABRO Cn1c(C(=O)NCC[NH+](C)C)nc2c1CCN(C(=O)c1cccnc1)C2 ZINC000096264860 488490718 /nfs/dbraw/zinc/49/07/18/488490718.db2.gz IBGKQJMTHSYQGT-UHFFFAOYSA-N 1 0 356.430 0.305 40 0 FCABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1)N1CCOCC1 ZINC000096263209 488490949 /nfs/dbraw/zinc/49/09/49/488490949.db2.gz OQUBDOMQYKZMSR-MRXNPFEDSA-N 1 0 360.458 0.842 40 0 FCABRO O=C1N(CC[NH+]2CCCC2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096224253 488491135 /nfs/dbraw/zinc/49/11/35/488491135.db2.gz BMUHXAMEAQRZQN-KRWDZBQOSA-N 1 0 355.504 0.889 40 0 FCABRO CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H]([NH+](C)C)C4)cn32)C1 ZINC000096267699 488491201 /nfs/dbraw/zinc/49/12/01/488491201.db2.gz ZAVJXUZODFRBSF-ZBFHGGJFSA-N 1 0 370.457 0.841 40 0 FCABRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)[nH]c(=O)n1 ZINC000257211992 488523581 /nfs/dbraw/zinc/52/35/81/488523581.db2.gz CBLMSPQAFSDEGP-KRWDZBQOSA-N 1 0 350.419 0.180 40 0 FCABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000257239613 488524054 /nfs/dbraw/zinc/52/40/54/488524054.db2.gz HQCUFABODWPSIW-LJQANCHMSA-N 1 0 361.490 0.503 40 0 FCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257238297 488524251 /nfs/dbraw/zinc/52/42/51/488524251.db2.gz HKIYPBPDGBBKPA-IRXDYDNUSA-N 1 0 357.458 0.776 40 0 FCABRO O=C(NC[C@]1(O)CC[N@@H+](CCCc2ccccc2)C[C@H]1O)c1cnco1 ZINC000257250934 488524261 /nfs/dbraw/zinc/52/42/61/488524261.db2.gz JOQIXJJLFAOABU-IEBWSBKVSA-N 1 0 359.426 0.835 40 0 FCABRO Cc1nonc1CC(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1 ZINC000257320408 488525684 /nfs/dbraw/zinc/52/56/84/488525684.db2.gz VWRIOKRIANJWHL-HOTGVXAUSA-N 1 0 352.435 0.383 40 0 FCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC[C@@H]2O)CC1 ZINC000257336953 488526295 /nfs/dbraw/zinc/52/62/95/488526295.db2.gz YQTXCLOTBLMRBL-IRXDYDNUSA-N 1 0 358.446 0.171 40 0 FCABRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000133793597 488662190 /nfs/dbraw/zinc/66/21/90/488662190.db2.gz ZMFXKDSNIKHRBT-QZTJIDSGSA-N 1 0 371.485 0.970 40 0 FCABRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C(N)=O)s3)CC2)C1=O ZINC000329195833 488979840 /nfs/dbraw/zinc/97/98/40/488979840.db2.gz UNDBNMMNTMPIRJ-NSHDSACASA-N 1 0 350.444 0.272 40 0 FCABRO CN(C)c1noc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000378109680 490011043 /nfs/dbraw/zinc/01/10/43/490011043.db2.gz PKMOXUICWBXHDJ-UHFFFAOYSA-N 1 0 366.466 0.970 40 0 FCABRO [NH3+]CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575424943 491553795 /nfs/dbraw/zinc/55/37/95/491553795.db2.gz CRBZHUAPYVXQSH-CYBMUJFWSA-N 1 0 369.468 0.371 40 0 FCABRO Cc1ccc(OCc2nnc3n2CCN(C(=O)C[NH+](C)C)[C@@H](C)C3)cn1 ZINC000585098242 491719409 /nfs/dbraw/zinc/71/94/09/491719409.db2.gz SMEBLADLDYFJCL-AWEZNQCLSA-N 1 0 358.446 0.895 40 0 FCABRO CCOCCOc1ccc(C[N@H+]2C[C@@H](N3CCN(C)CC3)[C@@H](O)C2)cc1 ZINC000585269630 491720553 /nfs/dbraw/zinc/72/05/53/491720553.db2.gz DMAIRSBFSQVHDV-UXHICEINSA-N 1 0 363.502 0.894 40 0 FCABRO CCOC(=O)N1CCC(O)(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CCO)CC1 ZINC000585282209 491721148 /nfs/dbraw/zinc/72/11/48/491721148.db2.gz BQVTWOFMYINNMP-HZPDHXFCSA-N 1 0 355.479 0.501 40 0 FCABRO C[NH+](C)CC[C@@H](NC(=O)c1cccn(CC(N)=O)c1=O)c1ccccc1 ZINC000019750179 204706166 /nfs/dbraw/zinc/70/61/66/204706166.db2.gz BBYHINIZFOYVDB-MRXNPFEDSA-N 1 0 356.426 0.756 40 0 FCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1 ZINC000077264989 205038527 /nfs/dbraw/zinc/03/85/27/205038527.db2.gz JFXHQOUYBPUBNM-MCIONIFRSA-N 1 0 363.405 0.324 40 0 biogenic,in-vitro FCABRO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108532573 206034742 /nfs/dbraw/zinc/03/47/42/206034742.db2.gz SUMPMHJMBFZESI-HNNXBMFYSA-N 1 0 356.492 0.791 40 0 FCABRO CN1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464430 206331696 /nfs/dbraw/zinc/33/16/96/206331696.db2.gz XQBPANGVYOYXIZ-QWRGUYRKSA-N 1 0 366.399 0.760 40 0 biogenic,in-vitro FCABRO CC(=O)N1CCC(Cc2cnc(CNC(=O)[C@@H]3CCC[N@H+]3C)cn2)CC1 ZINC000257203741 206597631 /nfs/dbraw/zinc/59/76/31/206597631.db2.gz ARLVMCZMPJOZTN-SFHVURJKSA-N 1 0 359.474 0.988 40 0 FCABRO CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21 ZINC000306125946 488893963 /nfs/dbraw/zinc/89/39/63/488893963.db2.gz DGQJKNVNCFIHMR-CQSZACIVSA-N 1 0 352.464 0.704 40 0 FCABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306139409 488894431 /nfs/dbraw/zinc/89/44/31/488894431.db2.gz SWOHFBWQSCKRHO-GOEBONIOSA-N 1 0 353.426 0.829 40 0 FCABRO C[C@H](C(=O)NCC[NH+](C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111683 487532217 /nfs/dbraw/zinc/53/22/17/487532217.db2.gz IKPIFHXQQJYJLH-GFCCVEGCSA-N 1 0 371.459 0.290 40 0 FCABRO O=C(Cn1cccnc1=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326240 487550882 /nfs/dbraw/zinc/55/08/82/487550882.db2.gz DXVLJIVMLWSHTB-UHFFFAOYSA-N 1 0 374.416 0.482 40 0 FCABRO CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019526964 487603801 /nfs/dbraw/zinc/60/38/01/487603801.db2.gz AZCAIEHFACQDIY-UONOGXRCSA-N 1 0 357.458 0.697 40 0 FCABRO C[NH+]1CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1O2 ZINC000019588385 487604858 /nfs/dbraw/zinc/60/48/58/487604858.db2.gz VLHYXIVGJNEMKJ-UHFFFAOYSA-N 1 0 373.453 0.844 40 0 FCABRO CN(C)S(=O)(=O)N1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019583292 487605722 /nfs/dbraw/zinc/60/57/22/487605722.db2.gz WGNNKFPFCAYQCT-CYBMUJFWSA-N 1 0 366.491 0.589 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C[NH2+]C)cc(N(C)C)n1 ZINC000019760816 487608488 /nfs/dbraw/zinc/60/84/88/487608488.db2.gz SSONAGPXWAFUFF-AWEZNQCLSA-N 1 0 370.523 0.986 40 0 FCABRO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000020039950 487609730 /nfs/dbraw/zinc/60/97/30/487609730.db2.gz KIRHPEAZTVQBGU-HNNXBMFYSA-N 1 0 360.524 0.497 40 0 FCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 ZINC000225518638 488450426 /nfs/dbraw/zinc/45/04/26/488450426.db2.gz AKMBESJYOXQBRH-HGYYMRRCSA-N 1 0 360.401 0.672 40 0 biogenic,in-vitro FCABRO O[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000225500805 488450443 /nfs/dbraw/zinc/45/04/43/488450443.db2.gz JRIDSKJXCXCQRK-UWIFEVILSA-N 1 0 359.430 0.219 40 0 biogenic,in-vitro FCABRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000225963050 488451413 /nfs/dbraw/zinc/45/14/13/488451413.db2.gz DFHYOJHZLPUDIN-UHFFFAOYSA-N 1 0 354.476 0.069 40 0 FCABRO CCO[C@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000095080581 488480432 /nfs/dbraw/zinc/48/04/32/488480432.db2.gz VWTUFSFJTJNEGZ-STQMWFEESA-N 1 0 359.348 0.928 40 0 FCABRO CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096110081 488488896 /nfs/dbraw/zinc/48/88/96/488488896.db2.gz KRTSYOFYMOKACS-VQIMIIECSA-N 1 0 355.442 0.922 40 0 FCABRO CN1CC[NH+]([C@@H]2COC3(C2)CCN(C(=O)C2CCOCC2)CC3)CC1 ZINC000096048875 488489031 /nfs/dbraw/zinc/48/90/31/488489031.db2.gz MKIMKPHHHIYYGA-KRWDZBQOSA-N 1 0 351.491 0.811 40 0 FCABRO CN1CC[NH+](C[C@H]2OC[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)CC1 ZINC000096056271 488489070 /nfs/dbraw/zinc/48/90/70/488489070.db2.gz PWLUXCMVUGAJPU-OKZBNKHCSA-N 1 0 351.491 0.524 40 0 FCABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC[C@H]2OC ZINC000096108532 488489149 /nfs/dbraw/zinc/48/91/49/488489149.db2.gz YIEOPZBCKXHPOT-RRFJBIMHSA-N 1 0 356.492 0.767 40 0 FCABRO C[NH+](C)CC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 ZINC000096077517 488489177 /nfs/dbraw/zinc/48/91/77/488489177.db2.gz RJRLMMKIGKBXGG-LJQANCHMSA-N 1 0 359.426 0.975 40 0 FCABRO O=c1cc(C[NH+]2CCCC2)nc2n1CCCN(S(=O)(=O)C1CC1)C2 ZINC000096059592 488489224 /nfs/dbraw/zinc/48/92/24/488489224.db2.gz HOAMWJIWOAKDSO-UHFFFAOYSA-N 1 0 352.460 0.537 40 0 FCABRO Cn1cnc(S(=O)(=O)N2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1 ZINC000096158662 488489965 /nfs/dbraw/zinc/48/99/65/488489965.db2.gz QLWPCGOBIFUPCT-CQSZACIVSA-N 1 0 354.476 0.828 40 0 FCABRO COCCN1C(=O)C[C@H](c2cnn(C)c2)C12CC[NH+](CCOC)CC2 ZINC000096199892 488490205 /nfs/dbraw/zinc/49/02/05/488490205.db2.gz WOEDKXJXJFUMCR-MRXNPFEDSA-N 1 0 350.463 0.863 40 0 FCABRO CN(C)C(=O)N1C[C@]2(CO[C@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000096262886 488490779 /nfs/dbraw/zinc/49/07/79/488490779.db2.gz XMZUCVLCUGVFBG-QFBILLFUSA-N 1 0 360.458 0.893 40 0 FCABRO CN1CC[NH+](C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228452 488491031 /nfs/dbraw/zinc/49/10/31/488491031.db2.gz POUIBKNFXSRTBP-QFBILLFUSA-N 1 0 359.474 0.735 40 0 FCABRO [NH3+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257202057 488523089 /nfs/dbraw/zinc/52/30/89/488523089.db2.gz AKHHQAKBVJCOSB-KZNAEPCWSA-N 1 0 363.458 0.368 40 0 FCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@H]2O)CC1 ZINC000257224426 488523666 /nfs/dbraw/zinc/52/36/66/488523666.db2.gz FBTUOWIHPSXRPG-ROUUACIJSA-N 1 0 357.458 0.776 40 0 FCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccccn1 ZINC000257235702 488524241 /nfs/dbraw/zinc/52/42/41/488524241.db2.gz GYZQIOJXQULZLR-YRXWBPOGSA-N 1 0 371.437 0.685 40 0 FCABRO CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257269764 488524902 /nfs/dbraw/zinc/52/49/02/488524902.db2.gz MRHFXHXATSJXCQ-NCOADZHNSA-N 1 0 369.487 0.428 40 0 FCABRO Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257273899 488524923 /nfs/dbraw/zinc/52/49/23/488524923.db2.gz NIQPGBFFVHQINW-CQSZACIVSA-N 1 0 354.476 0.822 40 0 FCABRO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257292208 488525048 /nfs/dbraw/zinc/52/50/48/488525048.db2.gz QKLXFBHEMTVZDM-NCOADZHNSA-N 1 0 354.422 0.771 40 0 FCABRO NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257298307 488525165 /nfs/dbraw/zinc/52/51/65/488525165.db2.gz RLDKKNSWYMBHJL-WCVJEAGWSA-N 1 0 353.394 0.200 40 0 FCABRO CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3cn(C)cn3)CC2)OC[C@]1(C)O ZINC000257294880 488525264 /nfs/dbraw/zinc/52/52/64/488525264.db2.gz QWCOELKBMHSTAK-IRXDYDNUSA-N 1 0 350.463 0.773 40 0 FCABRO Cc1ccc2nc(C(=O)N3CC[C@](O)(C[NH+]4CCN(C)CC4)C3)cn2c1 ZINC000257290975 488525524 /nfs/dbraw/zinc/52/55/24/488525524.db2.gz QFBNELYUNXDPFG-IBGZPJMESA-N 1 0 357.458 0.467 40 0 FCABRO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514288552 490768663 /nfs/dbraw/zinc/76/86/63/490768663.db2.gz CKORPBJHPUKDEK-QZTJIDSGSA-N 1 0 356.470 0.970 40 0 biogenic,in-vitro FCABRO C[C@@]1([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575423547 491553467 /nfs/dbraw/zinc/55/34/67/491553467.db2.gz GHYXPHPAXSPPNB-CYBMUJFWSA-N 1 0 366.892 0.785 40 0 FCABRO C[C@]1([NH2+]CCNS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000575421474 491553523 /nfs/dbraw/zinc/55/35/23/491553523.db2.gz INYLDNYZVLMXFM-ZDUSSCGKSA-N 1 0 350.437 0.271 40 0 FCABRO CCCC[N@@H+]1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101226 491719612 /nfs/dbraw/zinc/71/96/12/491719612.db2.gz PEWOWFATQLNSEH-KRWDZBQOSA-N 1 0 351.451 0.539 40 0 FCABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cnccn2)CC1 ZINC000585106260 491719663 /nfs/dbraw/zinc/71/96/63/491719663.db2.gz IOAYRDGHYNLFNH-CABCVRRESA-N 1 0 357.458 0.929 40 0 FCABRO Cn1nnc2c1[C@@H](COCC[NH+]1CCCC1)CN(C(=O)C1CC(O)C1)C2 ZINC000585110798 491720033 /nfs/dbraw/zinc/72/00/33/491720033.db2.gz HZGJPJIJRCNBGJ-SHARSMKWSA-N 1 0 363.462 0.124 40 0 FCABRO CN1CC[NH+](C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)CC1 ZINC000585282303 491720917 /nfs/dbraw/zinc/72/09/17/491720917.db2.gz DCCMNHDKDDOMSS-AZUAARDMSA-N 1 0 361.486 0.191 40 0 FCABRO O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298765 560208464 /nfs/dbraw/zinc/20/84/64/560208464.db2.gz OHKAYGACEBQSTH-QGTPRVQTSA-N 1 0 373.432 0.936 40 0 biogenic,in-vitro FCABRO Cn1ccnc1CN1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCN12 ZINC001772595198 1180019942 /nfs/dbraw/zinc/01/99/42/1180019942.db2.gz BJKSGKKGXOOMGD-QGZVFWFLSA-N 1 0 372.517 0.580 40 0 FCABRO CN1CCC([NH2+][C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3ccccc3)nn2)CC1 ZINC001548925275 1267771985 /nfs/dbraw/zinc/77/19/85/1267771985.db2.gz IVDHGDLRNOKJOD-IPMKNSEASA-N 1 0 357.458 0.757 40 0 FCABRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCO[C@@H]2CCC[C@@H]21 ZINC000333485170 215288329 /nfs/dbraw/zinc/28/83/29/215288329.db2.gz COQRQSVIPRUMAM-XQQFMLRXSA-N 1 0 350.385 0.785 40 0 FCABRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000246703995 209398999 /nfs/dbraw/zinc/39/89/99/209398999.db2.gz ZMFXKDSNIKHRBT-ROUUACIJSA-N 1 0 371.485 0.970 40 0 FCABRO Cc1cn2c3c(nc2n1CC[NH+]1C[C@@H](C)C[C@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000010233868 204000507 /nfs/dbraw/zinc/00/05/07/204000507.db2.gz HMXPADBVGRHAJA-STQMWFEESA-N 1 0 372.473 0.973 40 0 FCABRO CC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000040386193 205068101 /nfs/dbraw/zinc/06/81/01/205068101.db2.gz LHNCCEGKRNPEGZ-KRWDZBQOSA-N 1 0 370.453 0.802 40 0 FCABRO Cn1cnc(C(=O)N2CCC[C@]3(C[C@@H](C[NH+]4CCN(C)CC4)CO3)C2)c1 ZINC000096228474 205859097 /nfs/dbraw/zinc/85/90/97/205859097.db2.gz BFWFHSQQVHOJFL-LPHOPBHVSA-N 1 0 361.490 0.679 40 0 FCABRO C[N@@H+](Cc1ccco1)C[C@H]1CC[C@]2(COCCN(S(C)(=O)=O)C2)O1 ZINC000107766970 206022942 /nfs/dbraw/zinc/02/29/42/206022942.db2.gz KZMMMDYVLQOXMA-CVEARBPZSA-N 1 0 358.460 0.921 40 0 FCABRO Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009289570 206247822 /nfs/dbraw/zinc/24/78/22/206247822.db2.gz KGWUXHJYMMWTBP-RDJZCZTQSA-N 1 0 372.473 0.798 40 0 FCABRO Cn1c2nc(N3CCC[NH2+]CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008701221 206247860 /nfs/dbraw/zinc/24/78/60/206247860.db2.gz JSWNZGOFKHAWGV-UHFFFAOYSA-N 1 0 368.441 0.282 40 0 FCABRO O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529628 206292695 /nfs/dbraw/zinc/29/26/95/206292695.db2.gz NLUHIVDPQQPQPD-OVYGPGRDSA-N 1 0 353.463 0.957 40 0 biogenic,in-vitro FCABRO CN(CC[NH+](C)C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O ZINC000020463955 206332444 /nfs/dbraw/zinc/33/24/44/206332444.db2.gz JAABCQMKOYIOQH-HSFUPAIVSA-N 1 0 353.438 0.262 40 0 biogenic,in-vitro FCABRO Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)nn1 ZINC000096041027 132217321 /nfs/dbraw/zinc/21/73/21/132217321.db2.gz ROEHKMDTYWDOBN-XIRDDKMYSA-N 1 0 359.474 0.979 40 0 FCABRO Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)nn1 ZINC000096066294 132218192 /nfs/dbraw/zinc/21/81/92/132218192.db2.gz ROEHKMDTYWDOBN-UAGQMJEPSA-N 1 0 359.474 0.979 40 0 FCABRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709709 230014169 /nfs/dbraw/zinc/01/41/69/230014169.db2.gz WGLWCRIQQGOXMW-UHFFFAOYSA-N 1 0 358.398 0.826 40 0 FCABRO COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1 ZINC000020503874 263381429 /nfs/dbraw/zinc/38/14/29/263381429.db2.gz DJDFICGTUUCDHP-HRCADAONSA-N 1 0 372.604 0.856 40 0 biogenic,in-vitro FCABRO CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 ZINC000306142988 488894292 /nfs/dbraw/zinc/89/42/92/488894292.db2.gz XQAJYTYNAQHITD-CQSZACIVSA-N 1 0 352.464 0.704 40 0 FCABRO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)C1=NNC(=O)CC1 ZINC000012326184 487550871 /nfs/dbraw/zinc/55/08/71/487550871.db2.gz FOLZLRKFMHLIRS-UHFFFAOYSA-N 1 0 362.405 0.491 40 0 FCABRO CCS(=O)(=O)N(CC(=O)NCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000013612478 487564691 /nfs/dbraw/zinc/56/46/91/487564691.db2.gz CKHKZTQAXRKWOK-UHFFFAOYSA-N 1 0 371.459 0.292 40 0 FCABRO CC(=O)N1c2ccccc2[C@@]2(NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)C1=O ZINC000039921226 487809330 /nfs/dbraw/zinc/80/93/30/487809330.db2.gz ULJPYNFTHZOEFZ-IBGZPJMESA-N 1 0 374.360 0.731 40 0 FCABRO C[NH+](C)CCNC(=O)CN1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000072325859 488379673 /nfs/dbraw/zinc/37/96/73/488379673.db2.gz BKKNNGBBLLIUOS-LJQANCHMSA-N 1 0 373.457 0.229 40 0 FCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N(C)Cc2cccnc2)CCOCC1 ZINC000225404804 488449959 /nfs/dbraw/zinc/44/99/59/488449959.db2.gz DEBQZXDZWZCBTA-INIZCTEOSA-N 1 0 360.458 0.800 40 0 biogenic,in-vitro FCABRO CN(C)C(=O)COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039756 488488734 /nfs/dbraw/zinc/48/87/34/488488734.db2.gz RARLMBGTZCGAGK-SJLPKXTDSA-N 1 0 350.463 0.896 40 0 FCABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1 ZINC000096206917 488489985 /nfs/dbraw/zinc/48/99/85/488489985.db2.gz FGXNAUSALKPKRQ-DOMZBBRYSA-N 1 0 357.501 0.982 40 0 FCABRO Cc1ccccc1CNC(=O)N1C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C1)O2 ZINC000096253154 488490978 /nfs/dbraw/zinc/49/09/78/488490978.db2.gz QEIODRNMIQFHME-KZNAEPCWSA-N 1 0 374.485 0.972 40 0 FCABRO Cn1cnc(C(=O)N2CCC[C@@]3(C[C@@H](C[NH+]4CCN(C)CC4)CO3)C2)c1 ZINC000096228475 488491114 /nfs/dbraw/zinc/49/11/14/488491114.db2.gz BFWFHSQQVHOJFL-QFBILLFUSA-N 1 0 361.490 0.679 40 0 FCABRO COC[C@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000248154399 488494173 /nfs/dbraw/zinc/49/41/73/488494173.db2.gz VDFXPNJXRWFQPK-OAHLLOKOSA-N 1 0 356.492 0.540 40 0 FCABRO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@](O)(CN2CCOCC2)C1 ZINC000257243753 488523984 /nfs/dbraw/zinc/52/39/84/488523984.db2.gz IIKWJENYOIUQNE-LJQANCHMSA-N 1 0 351.491 0.547 40 0 FCABRO O=C(CCn1cnnn1)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257232834 488523997 /nfs/dbraw/zinc/52/39/97/488523997.db2.gz GMPZZYQHXBPLHG-GOSISDBHSA-N 1 0 356.430 0.085 40 0 FCABRO Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2n(C)c1=O ZINC000257279246 488524899 /nfs/dbraw/zinc/52/48/99/488524899.db2.gz OFSYTZQINVPACL-CYBMUJFWSA-N 1 0 371.441 0.044 40 0 FCABRO CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cnccn1 ZINC000257307492 488525403 /nfs/dbraw/zinc/52/54/03/488525403.db2.gz SYWFSEXVTJWVNO-QGZVFWFLSA-N 1 0 353.426 0.592 40 0 FCABRO CN(CC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1)Cc1cccnc1 ZINC000257302287 488525409 /nfs/dbraw/zinc/52/54/09/488525409.db2.gz SCHZPWSXXAHHEH-SFHVURJKSA-N 1 0 356.430 0.061 40 0 FCABRO CN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285977 488525476 /nfs/dbraw/zinc/52/54/76/488525476.db2.gz PJPQXOPPGRNTBL-FQEVSTJZSA-N 1 0 363.502 0.632 40 0 FCABRO C[NH+](C)Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1 ZINC000257331470 488525665 /nfs/dbraw/zinc/52/56/65/488525665.db2.gz XSZSXFPNQKMLBZ-MRXNPFEDSA-N 1 0 354.476 0.857 40 0 FCABRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257318648 488525742 /nfs/dbraw/zinc/52/57/42/488525742.db2.gz VOWGFTOSFOQODH-ZBFHGGJFSA-N 1 0 359.417 0.692 40 0 FCABRO CC(=O)NCC(=O)N1C[C@]2(NC(C)=O)C[N@H+](C)CC[C@@H]2[C@H]1c1ccccc1 ZINC000257330930 488525793 /nfs/dbraw/zinc/52/57/93/488525793.db2.gz XQQFQSCWZJHNCJ-MISYRCLQSA-N 1 0 372.469 0.533 40 0 FCABRO Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257337158 488526265 /nfs/dbraw/zinc/52/62/65/488526265.db2.gz YRRDXICIAWRZLR-BVBHFADKSA-N 1 0 370.453 0.461 40 0 FCABRO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@](O)(Cn3ccnc3C)C2)cc1 ZINC000257343236 488526388 /nfs/dbraw/zinc/52/63/88/488526388.db2.gz ZSBAICIMPMRVRY-HXUWFJFHSA-N 1 0 372.469 0.948 40 0 FCABRO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289536 490768838 /nfs/dbraw/zinc/76/88/38/490768838.db2.gz NSDYYZGZMKOPFE-QZTJIDSGSA-N 1 0 372.469 0.206 40 0 biogenic,in-vitro FCABRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)c(C)c1 ZINC000575424857 491553925 /nfs/dbraw/zinc/55/39/25/491553925.db2.gz PKRIUPIZNCBRJQ-OAHLLOKOSA-N 1 0 360.501 0.749 40 0 FCABRO O=C(c1cnccn1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106011 491719693 /nfs/dbraw/zinc/71/96/93/491719693.db2.gz DBHRDFLMCNTBTM-CABCVRRESA-N 1 0 355.442 0.539 40 0 FCABRO C[C@@]1(C(=O)NCCO)CCC[N@@H+]1Cc1ccc(OCCOCCO)cc1 ZINC000585269876 491720582 /nfs/dbraw/zinc/72/05/82/491720582.db2.gz OCHQLFSSHXNZMS-IBGZPJMESA-N 1 0 366.458 0.537 40 0 FCABRO CNC(=O)C[C@@H]1C[N@H+](CC(=O)NCc2cccc(F)c2)CC[C@H]1OC ZINC000585275373 491720821 /nfs/dbraw/zinc/72/08/21/491720821.db2.gz DGNBKKOAOMOEAF-GDBMZVCRSA-N 1 0 351.422 0.915 40 0 FCABRO C[C@]1(C(N)=O)C[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585282514 491721210 /nfs/dbraw/zinc/72/12/10/491721210.db2.gz FLPNREFOYBKAHL-QGZVFWFLSA-N 1 0 351.422 0.733 40 0 FCABRO CC(C)[N@H+](CCO)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585284967 491721240 /nfs/dbraw/zinc/72/12/40/491721240.db2.gz MJYHWEPHMDHIRQ-HKUYNNGSSA-N 1 0 350.459 0.256 40 0 FCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccccn2)[C@@H](O)C1 ZINC000585284567 491721452 /nfs/dbraw/zinc/72/14/52/491721452.db2.gz LVFRZXADEDLNKI-FPOVZHCZSA-N 1 0 369.465 0.781 40 0 FCABRO CCC[N@@H+](CC(=O)Nc1cn(CC)nc1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291180 491721756 /nfs/dbraw/zinc/72/17/56/491721756.db2.gz MUFGUHXDRHRHJT-UNEWFSDZSA-N 1 0 354.451 0.230 40 0 FCABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH+](C)C)[C@@H](O)[C@H]3O2)cc1 ZINC000604381815 492059680 /nfs/dbraw/zinc/05/96/80/492059680.db2.gz PSMANQLIUTXAJF-SGFSRKTBSA-N 1 0 364.442 0.549 40 0 biogenic,in-vitro FCABRO O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008254276 291031697 /nfs/dbraw/zinc/03/16/97/291031697.db2.gz PIFXQERXDOOUPF-UAGQMJEPSA-N 1 0 356.430 0.192 40 0 biogenic,in-vitro FCABRO COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([NH+]3CCC(O)CC3)[C@H]2O)c1 ZINC000257295418 223055594 /nfs/dbraw/zinc/05/55/94/223055594.db2.gz QYFGULCXQCPLBH-NCOADZHNSA-N 1 0 365.430 0.069 40 0 FCABRO CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)C1 ZINC000096267700 209146818 /nfs/dbraw/zinc/14/68/18/209146818.db2.gz ZAVJXUZODFRBSF-GOEBONIOSA-N 1 0 370.457 0.841 40 0 FCABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(S(=O)(=O)CC)CC[C@@H]12 ZINC000096145328 209122270 /nfs/dbraw/zinc/12/22/70/209122270.db2.gz DKIQTTFHTJLBPN-NVXWUHKLSA-N 1 0 373.519 0.371 40 0 FCABRO OCC[NH+](CCO)C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689955 206660551 /nfs/dbraw/zinc/66/05/51/206660551.db2.gz MDEDMQVBEKRZOT-GSBYPIHSSA-N 1 0 357.491 0.636 40 0 FCABRO CC1CC[NH+](CCNC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)CC1 ZINC000019496907 220262554 /nfs/dbraw/zinc/26/25/54/220262554.db2.gz JQWDFBJGWPBLFR-UHFFFAOYSA-N 1 0 358.442 0.548 40 0 FCABRO Cc1nc(NN2CCOCC2)[nH+]c(NN2CCOCC2)c1Br ZINC000005530978 207103798 /nfs/dbraw/zinc/10/37/98/207103798.db2.gz NSKLHWPTJPQAHN-UHFFFAOYSA-N 1 0 373.255 0.866 40 0 FCABRO O=C1CO[C@@]2(CN1c1cccnc1)COCC[N@H+](CC1CCOCC1)C2 ZINC000096051355 132217781 /nfs/dbraw/zinc/21/77/81/132217781.db2.gz OHZDOIALBUDOSS-IBGZPJMESA-N 1 0 361.442 0.942 40 0 FCABRO CN1CCN(CC[NH+]2CCCC2)C(=O)C12CCN(c1ncccn1)CC2 ZINC000096077172 132218277 /nfs/dbraw/zinc/21/82/77/132218277.db2.gz JANSBQLWDTZSQQ-UHFFFAOYSA-N 1 0 358.490 0.685 40 0 FCABRO CS(=O)(=O)N1C[C@H](C(=O)NCCC[NH+]2CCCC2)Oc2ccccc21 ZINC000044913513 136121745 /nfs/dbraw/zinc/12/17/45/136121745.db2.gz HJMJQBLHDAIHPY-MRXNPFEDSA-N 1 0 367.471 0.816 40 0 FCABRO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000001689688 487470044 /nfs/dbraw/zinc/47/00/44/487470044.db2.gz OJKHWKUUKANMMH-ZIAGYGMSSA-N 1 0 370.475 0.397 40 0 FCABRO O=C(NC[C@@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1)c1ccnnc1 ZINC000306136910 488894600 /nfs/dbraw/zinc/89/46/00/488894600.db2.gz QGKXENNGVMSFLW-INIZCTEOSA-N 1 0 370.457 0.962 40 0 FCABRO CS(=O)(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH2+]CC3 ZINC000306144279 488895384 /nfs/dbraw/zinc/89/53/84/488895384.db2.gz ZBAFVRQAQZJDEW-WMLDXEAASA-N 1 0 355.504 0.650 40 0 FCABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000013668423 487566392 /nfs/dbraw/zinc/56/63/92/487566392.db2.gz OSIBHNRSHLBTTE-UHFFFAOYSA-N 1 0 373.475 0.538 40 0 FCABRO C[C@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000019078506 487602734 /nfs/dbraw/zinc/60/27/34/487602734.db2.gz UXZKSTJTCSOYCN-HUUCEWRRSA-N 1 0 359.474 0.549 40 0 FCABRO C[C@H](C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1)N1CCOCC1 ZINC000019079485 487602760 /nfs/dbraw/zinc/60/27/60/487602760.db2.gz FRHLGVUSCMITMH-CQSZACIVSA-N 1 0 359.474 0.549 40 0 FCABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)COC)C1)C2=O ZINC000019700022 487605580 /nfs/dbraw/zinc/60/55/80/487605580.db2.gz PDIRACWJJZYKFH-AWEZNQCLSA-N 1 0 366.462 0.420 40 0 FCABRO Cn1ncc2c1ncn(CCC(=O)NC(C)(C)C[NH+]1CCCCC1)c2=O ZINC000019716257 487606695 /nfs/dbraw/zinc/60/66/95/487606695.db2.gz GCOPFEQRAZUVLQ-UHFFFAOYSA-N 1 0 360.462 0.901 40 0 FCABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(S(=O)(=O)N(C)C)C2 ZINC000019711358 487607385 /nfs/dbraw/zinc/60/73/85/487607385.db2.gz JNNPGEQELHKNTF-UHFFFAOYSA-N 1 0 354.480 0.150 40 0 FCABRO OCC[NH+](CCO)C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689958 487837431 /nfs/dbraw/zinc/83/74/31/487837431.db2.gz MDEDMQVBEKRZOT-NNGLDNROSA-N 1 0 357.491 0.636 40 0 FCABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC ZINC000242538942 488459599 /nfs/dbraw/zinc/45/95/99/488459599.db2.gz JIVZNEBULDJISC-SQWLQELKSA-N 1 0 355.412 0.824 40 0 FCABRO O=C(NC[C@]1(O)C[N@@H+](CCCc2ccccc2)C[C@H]1O)c1cnccn1 ZINC000257206377 488523105 /nfs/dbraw/zinc/52/31/05/488523105.db2.gz BDCNWNFYSBKAPD-MJGOQNOKSA-N 1 0 356.426 0.247 40 0 FCABRO COCC[N@H+](C)C[C@@]1(O)[C@H](O)C[C@@H](N(C)C(=O)OC(C)(C)C)C[C@@H]1O ZINC000257212237 488523354 /nfs/dbraw/zinc/52/33/54/488523354.db2.gz CCLWHHCAVDUAGK-VWERNLLFSA-N 1 0 362.467 0.047 40 0 FCABRO COCCC(=O)N1CCC[C@](O)(C[NH+]2CCC(NC(C)=O)CC2)CC1 ZINC000257292273 488525367 /nfs/dbraw/zinc/52/53/67/488525367.db2.gz QKTGKOSGUGJABG-GOSISDBHSA-N 1 0 355.479 0.367 40 0 FCABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CNC(C)=O)CC1 ZINC000257314506 488525687 /nfs/dbraw/zinc/52/56/87/488525687.db2.gz UXGVFGQOFZXZQH-LJQANCHMSA-N 1 0 362.474 0.783 40 0 FCABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514289675 490768794 /nfs/dbraw/zinc/76/87/94/490768794.db2.gz YDJIJOQLUZBHCJ-HRCADAONSA-N 1 0 352.410 0.323 40 0 biogenic,in-vitro FCABRO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514288555 490768825 /nfs/dbraw/zinc/76/88/25/490768825.db2.gz CKORPBJHPUKDEK-ZWKOTPCHSA-N 1 0 356.470 0.970 40 0 biogenic,in-vitro FCABRO CC1CC[NH+](C[C@@H]2OC[C@H](NS(=O)(=O)c3ccsc3)[C@H]2O)CC1 ZINC000514289624 490769145 /nfs/dbraw/zinc/76/91/45/490769145.db2.gz XBKGRVBYMLGGIT-SOUVJXGZSA-N 1 0 360.501 0.887 40 0 biogenic,in-vitro FCABRO COc1ccc(C)cc1S(=O)(=O)N(CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575421002 491553541 /nfs/dbraw/zinc/55/35/41/491553541.db2.gz HIWMEIUIOAQQCO-GFCCVEGCSA-N 1 0 362.473 0.140 40 0 FCABRO CC(C)CC[N@@H+]1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101229 491719551 /nfs/dbraw/zinc/71/95/51/491719551.db2.gz PFWHZAQRTGYLMI-SFHVURJKSA-N 1 0 365.478 0.785 40 0 FCABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccn(C)n1)CC2 ZINC000585104384 491719605 /nfs/dbraw/zinc/71/96/05/491719605.db2.gz ZKBCRACOLJWHAR-OAHLLOKOSA-N 1 0 350.463 0.867 40 0 FCABRO CNC(=O)[C@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)CN1CC1CC1 ZINC000585109371 491719820 /nfs/dbraw/zinc/71/98/20/491719820.db2.gz MASTWZOIRUHCTF-QGZVFWFLSA-N 1 0 361.490 0.875 40 0 FCABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000585284013 491721355 /nfs/dbraw/zinc/72/13/55/491721355.db2.gz QOMXRMHJFWFOLS-ROUUACIJSA-N 1 0 359.470 0.868 40 0 FCABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585288956 491721682 /nfs/dbraw/zinc/72/16/82/491721682.db2.gz BKVFGOUGJGWEIJ-WBVHZDCISA-N 1 0 356.850 0.179 40 0 FCABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]C3CCOCC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382214 492059409 /nfs/dbraw/zinc/05/94/09/492059409.db2.gz LAZUPRQMZMEZJY-BRSBDYLESA-N 1 0 365.474 0.335 40 0 biogenic,in-vitro FCABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3cccnc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382095 492059675 /nfs/dbraw/zinc/05/96/75/492059675.db2.gz DELVIEMVSRKDHB-NCXUSEDFSA-N 1 0 372.469 0.751 40 0 biogenic,in-vitro FCABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(C(=O)Cn3cccn3)C2)cc1 ZINC000257334028 210003029 /nfs/dbraw/zinc/00/30/29/210003029.db2.gz YEFKADFOQXRTNI-IBGZPJMESA-N 1 0 358.442 0.987 40 0 FCABRO CCn1ncc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1C ZINC000257327145 210001224 /nfs/dbraw/zinc/00/12/24/210001224.db2.gz XADRBDJDJPWNSG-IIAWOOMASA-N 1 0 356.492 0.820 40 0 FCABRO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cn1 ZINC000107788865 209280300 /nfs/dbraw/zinc/28/03/00/209280300.db2.gz ADCBHCQOIVUQIB-KDOFPFPSSA-N 1 0 359.430 0.659 40 0 FCABRO C([C@H]1CC[C@@]2(COCC[N@H+](CC3CCOCC3)C2)O1)N1CCOCC1 ZINC000107739715 209279378 /nfs/dbraw/zinc/27/93/78/209279378.db2.gz WOAXGXKXARUTDS-RTBURBONSA-N 1 0 354.491 0.995 40 0 FCABRO O=C(C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000104278491 209259066 /nfs/dbraw/zinc/25/90/66/209259066.db2.gz OIWCTUZOOJVEKE-KRWDZBQOSA-N 1 0 371.437 0.889 40 0 FCABRO COCC(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952849 209200229 /nfs/dbraw/zinc/20/02/29/209200229.db2.gz CHUKXAXKJDZGJP-HXUWFJFHSA-N 1 0 372.469 0.659 40 0 FCABRO CN1CCN(C(=O)c2cn(-c3nc(C[NH+](C)C)c4ccccn43)cn2)CC1 ZINC000096267054 209147336 /nfs/dbraw/zinc/14/73/36/209147336.db2.gz AQQURDISXQEFJP-UHFFFAOYSA-N 1 0 367.457 0.969 40 0 FCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@@H]2OC ZINC000096109430 209114121 /nfs/dbraw/zinc/11/41/21/209114121.db2.gz PESUHOCGWCZWFG-XHSDSOJGSA-N 1 0 355.460 0.438 40 0 FCABRO CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)CC1 ZINC000096083179 209109928 /nfs/dbraw/zinc/10/99/28/209109928.db2.gz NMEAZSCRZZPGBX-KURKYZTESA-N 1 0 351.491 0.809 40 0 FCABRO CC(C)C[NH+]1CCC2(CC1)COCc1nnc(C(=O)N3CCOCC3)n12 ZINC000306137896 206671286 /nfs/dbraw/zinc/67/12/86/206671286.db2.gz RJMDADTYOCEEGR-UHFFFAOYSA-N 1 0 363.462 0.728 40 0 FCABRO COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CC[NH+]2CCCC2)C3)ccc1O ZINC000012113452 207338689 /nfs/dbraw/zinc/33/86/89/207338689.db2.gz MJKXXIGEVLZTLP-QGZVFWFLSA-N 1 0 372.425 0.947 40 0 FCABRO C[NH+](C)CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030758788 208004965 /nfs/dbraw/zinc/00/49/65/208004965.db2.gz WGTUBPZPZDWPTH-UHFFFAOYSA-N 1 0 369.487 0.530 40 0 FCABRO CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1 ZINC000077265394 208199744 /nfs/dbraw/zinc/19/97/44/208199744.db2.gz QRNLYVHXVXDLJN-ZACQAIPSSA-N 1 0 351.422 0.368 40 0 biogenic,in-vitro FCABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)N(C)C)CCC2 ZINC000096055953 209104921 /nfs/dbraw/zinc/10/49/21/209104921.db2.gz DAJYUMDKEPSRRG-QAPCUYQASA-N 1 0 354.495 0.807 40 0 FCABRO Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CC[NH+](C)CC4)O[C@@H]3C2)nn1 ZINC000096066210 132218081 /nfs/dbraw/zinc/21/80/81/132218081.db2.gz ROEHKMDTYWDOBN-BHYGNILZSA-N 1 0 359.474 0.979 40 0 FCABRO O=C(c1ccccn1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330356 132283099 /nfs/dbraw/zinc/28/30/99/132283099.db2.gz YGIDFVNVFVZPPH-UHFFFAOYSA-N 1 0 354.414 0.671 40 0 FCABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1NS(C)(=O)=O ZINC000022822223 229149037 /nfs/dbraw/zinc/14/90/37/229149037.db2.gz HEQJKUZKEMMAIT-UHFFFAOYSA-N 1 0 368.503 0.734 40 0 FCABRO CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(N)=[NH2+])cc2)C1=O ZINC000003951736 487473982 /nfs/dbraw/zinc/47/39/82/487473982.db2.gz VJDOPFARMOLELX-ZDUSSCGKSA-N 1 0 361.402 0.328 40 0 in-man FCABRO CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O ZINC000008624286 487518800 /nfs/dbraw/zinc/51/88/00/487518800.db2.gz GMRYLIVRQXFKBL-HDEZJCGLSA-N 1 0 356.850 0.834 40 0 biogenic,in-vitro FCABRO CCn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306143236 488895556 /nfs/dbraw/zinc/89/55/56/488895556.db2.gz XWXMTMCIBLIUMU-KGLIPLIRSA-N 1 0 355.446 0.691 40 0 FCABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306143235 488895060 /nfs/dbraw/zinc/89/50/60/488895060.db2.gz XWXMTMCIBLIUMU-KBPBESRZSA-N 1 0 355.446 0.691 40 0 FCABRO CCn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@@H]3C2)cn1 ZINC000306143238 488895098 /nfs/dbraw/zinc/89/50/98/488895098.db2.gz XWXMTMCIBLIUMU-ZIAGYGMSSA-N 1 0 355.446 0.691 40 0 FCABRO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)c1 ZINC000306143448 488895239 /nfs/dbraw/zinc/89/52/39/488895239.db2.gz YCOVHXXXSVMSJM-LJQANCHMSA-N 1 0 356.426 0.734 40 0 FCABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000013646732 487564402 /nfs/dbraw/zinc/56/44/02/487564402.db2.gz ZBSASFPCAVSGDC-ZDUSSCGKSA-N 1 0 357.476 0.918 40 0 FCABRO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cnn(C(F)F)c2C)C1 ZINC000019553104 487604247 /nfs/dbraw/zinc/60/42/47/487604247.db2.gz KEQUDUXXFSMRGZ-NSHDSACASA-N 1 0 352.407 0.833 40 0 FCABRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(NC(C)=O)C2)cc1 ZINC000019713020 487606263 /nfs/dbraw/zinc/60/62/63/487606263.db2.gz WKYZAUQWZAIFBG-RHSMWYFYSA-N 1 0 367.471 0.526 40 0 FCABRO CN(C)C(=O)Cn1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1=O ZINC000019749964 487606719 /nfs/dbraw/zinc/60/67/19/487606719.db2.gz IKFHEBNHDINFTO-KRWDZBQOSA-N 1 0 370.453 0.969 40 0 FCABRO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716366 487607046 /nfs/dbraw/zinc/60/70/46/487607046.db2.gz MMIXBRXUEOHPDQ-UHFFFAOYSA-N 1 0 373.457 0.925 40 0 FCABRO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000020529201 487610837 /nfs/dbraw/zinc/61/08/37/487610837.db2.gz ZMYPDQZMECCPSS-QGZVFWFLSA-N 1 0 374.441 0.724 40 0 FCABRO CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000086053361 488452487 /nfs/dbraw/zinc/45/24/87/488452487.db2.gz ZVBPCOQJPAOXMI-YHUJOOKZSA-N 1 0 367.398 0.178 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257202945 488522914 /nfs/dbraw/zinc/52/29/14/488522914.db2.gz ANYVKRQQEBLNNL-GOSISDBHSA-N 1 0 363.462 0.367 40 0 FCABRO Cc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnco3)[C@H](O)C2)s1 ZINC000257226570 488523432 /nfs/dbraw/zinc/52/34/32/488523432.db2.gz FLFBIXVILJWHIW-GDBMZVCRSA-N 1 0 351.428 0.772 40 0 FCABRO Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CC[C@@H](C1)[C@H]3O)[NH2+]2 ZINC000257252205 488524129 /nfs/dbraw/zinc/52/41/29/488524129.db2.gz JTXHOVRJYAXBNS-RDUHTLEXSA-N 1 0 354.476 0.539 40 0 FCABRO Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)[C@@H]1O ZINC000257308587 488526063 /nfs/dbraw/zinc/52/60/63/488526063.db2.gz TXHJHUAMCMOGNK-QXCFHYIPSA-N 1 0 370.453 0.461 40 0 FCABRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000133793779 488662078 /nfs/dbraw/zinc/66/20/78/488662078.db2.gz ZMFXKDSNIKHRBT-ZWKOTPCHSA-N 1 0 371.485 0.970 40 0 FCABRO CCCS(=O)(=O)N[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O ZINC000514288857 490768625 /nfs/dbraw/zinc/76/86/25/490768625.db2.gz HNRIPIQVFXVBEZ-YESZJQIVSA-N 1 0 356.488 0.619 40 0 biogenic,in-vitro FCABRO CC(C)CC[N@@H+]1CCC[C@@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101228 491719630 /nfs/dbraw/zinc/71/96/30/491719630.db2.gz PFWHZAQRTGYLMI-GOSISDBHSA-N 1 0 365.478 0.785 40 0 FCABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1 ZINC000585181903 491720580 /nfs/dbraw/zinc/72/05/80/491720580.db2.gz KIVMYQJNXLQEDT-GFCCVEGCSA-N 1 0 357.414 0.459 40 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/nfs/dbraw/zinc/52/34/21/488523421.db2.gz CZJJXBHISUPWAW-HXUWFJFHSA-N 1 0 361.486 0.926 40 0 FCABRO CC(C)[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)CC1 ZINC000257208066 488523449 /nfs/dbraw/zinc/52/34/49/488523449.db2.gz BKOBEGJXHUAVJZ-IAGOWNOFSA-N 1 0 350.507 0.872 40 0 FCABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248744 488524315 /nfs/dbraw/zinc/52/43/15/488524315.db2.gz JEZWBYOECATWFR-CYBMUJFWSA-N 1 0 355.508 0.685 40 0 FCABRO Cc1ccn(CCC(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)n1 ZINC000257290926 488525343 /nfs/dbraw/zinc/52/53/43/488525343.db2.gz QEXSCBXWPBTRAA-JFIYKMOQSA-N 1 0 350.463 0.702 40 0 FCABRO CN(C(=O)CCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257300285 488525493 /nfs/dbraw/zinc/52/54/93/488525493.db2.gz RTSQZBRIRNZAAE-MBOZVWFJSA-N 1 0 359.470 0.791 40 0 FCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O ZINC000514289127 490768439 /nfs/dbraw/zinc/76/84/39/490768439.db2.gz VFBITSDBTCYFDY-VWNJHIHFSA-N 1 0 354.472 0.646 40 0 biogenic,in-vitro FCABRO CC1CC[NH+](C[C@@H]2OC[C@H](NS(=O)(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514289064 490768552 /nfs/dbraw/zinc/76/85/52/490768552.db2.gz MZGOIUNRBAUACL-YESZJQIVSA-N 1 0 372.462 0.964 40 0 biogenic,in-vitro FCABRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1C ZINC000575423846 491553521 /nfs/dbraw/zinc/55/35/21/491553521.db2.gz RPYAZUQVXTUTIX-OAHLLOKOSA-N 1 0 360.501 0.749 40 0 FCABRO Cc1cc(C)c(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575424605 491553837 /nfs/dbraw/zinc/55/38/37/491553837.db2.gz UINAZLLLKFFATM-AWEZNQCLSA-N 1 0 360.501 0.748 40 0 FCABRO Cn1nnc2c1[C@H](COCC[NH+]1CCCC1)CN(C(=O)C1CC(O)C1)C2 ZINC000585110799 491720130 /nfs/dbraw/zinc/72/01/30/491720130.db2.gz HZGJPJIJRCNBGJ-SLTAFYQDSA-N 1 0 363.462 0.124 40 0 FCABRO COCCOc1cc(C[N@@H+]2C[C@@H](O)[C@H](N3CCOCC3)C2)ccc1OC ZINC000585269914 491720813 /nfs/dbraw/zinc/72/08/13/491720813.db2.gz PUAPWWSNVDKLNE-IAGOWNOFSA-N 1 0 366.458 0.598 40 0 FCABRO O[C@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCOCC1 ZINC000585273021 491720853 /nfs/dbraw/zinc/72/08/53/491720853.db2.gz OMNSAPKOHVUCBN-PMACEKPBSA-N 1 0 361.486 0.396 40 0 FCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 ZINC000604381905 492059481 /nfs/dbraw/zinc/05/94/81/492059481.db2.gz UVODMOVBFFXOQF-SGFSRKTBSA-N 1 0 361.442 0.516 40 0 biogenic,in-vitro FCABRO OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000020464818 527599628 /nfs/dbraw/zinc/59/96/28/527599628.db2.gz OJZZOFBTOMSNDT-YYIAUSFCSA-N 1 0 356.850 0.251 40 0 biogenic,in-vitro FCABRO CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CCOCC1 ZINC001772595123 1180012775 /nfs/dbraw/zinc/01/27/75/1180012775.db2.gz ZQDQFYCMWCFJHE-BFYDXBDKSA-N 1 0 350.463 0.520 40 0 FCABRO Cc1cc(C)c(N(C[C@H](O)CN2CC[NH2+]CC2)S(C)(=O)=O)c(C)c1 ZINC000023118705 1245291152 /nfs/dbraw/zinc/29/11/52/1245291152.db2.gz TYTUUFNNBLLDNE-MRXNPFEDSA-N 1 0 355.504 0.644 40 0 FCABRO O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1[NH2+]C1CCCCC1 ZINC001549162250 1267841318 /nfs/dbraw/zinc/84/13/18/1267841318.db2.gz SQCJCXKERXMDAT-RCCFBDPRSA-N 1 0 365.478 0.161 40 0 FCABRO C[NH2+][C@H]1CC2(CCN(C(=O)CCCn3ccnc3)CC2)OC[C@]1(C)O ZINC000257337753 210002108 /nfs/dbraw/zinc/00/21/08/210002108.db2.gz YUFATPOELDOVBB-RDJZCZTQSA-N 1 0 350.463 0.784 40 0 FCABRO CN(C)S(=O)(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257329048 210000159 /nfs/dbraw/zinc/00/01/59/210000159.db2.gz XIEHUEZEHMBSIV-IRXDYDNUSA-N 1 0 353.488 0.894 40 0 FCABRO COc1cc([C@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1O ZINC000104279751 209259978 /nfs/dbraw/zinc/25/99/78/209259978.db2.gz PTAABUZLYQYRMB-INIZCTEOSA-N 1 0 371.397 0.927 40 0 FCABRO Cn1cnc(C(=O)N2CCC[C@@]3(C[C@H](C[NH+]4CCN(C)CC4)CO3)C2)c1 ZINC000096228473 209140963 /nfs/dbraw/zinc/14/09/63/209140963.db2.gz BFWFHSQQVHOJFL-VQIMIIECSA-N 1 0 361.490 0.679 40 0 FCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@H]2OC ZINC000096218666 209137787 /nfs/dbraw/zinc/13/77/87/209137787.db2.gz PESUHOCGWCZWFG-ARFHVFGLSA-N 1 0 355.460 0.438 40 0 FCABRO COCCN1CC2(CC[NH+](Cc3cnn(C)c3)CC2)[C@@H](COC)C1=O ZINC000096206437 209134810 /nfs/dbraw/zinc/13/48/10/209134810.db2.gz XITGPASFPAWRBX-INIZCTEOSA-N 1 0 350.463 0.754 40 0 FCABRO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cn1 ZINC000096074557 209108860 /nfs/dbraw/zinc/10/88/60/209108860.db2.gz ADCBHCQOIVUQIB-KSSFIOAISA-N 1 0 359.430 0.659 40 0 FCABRO Cn1nc2c(C[NH2+][C@H]3CCS(=O)(=O)C3)cc(-c3ccccc3)cn2c1=O ZINC000012233826 207350107 /nfs/dbraw/zinc/35/01/07/207350107.db2.gz YCQOHCHYOFMPCZ-INIZCTEOSA-N 1 0 372.450 0.977 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)CC1 ZINC000077264018 208199341 /nfs/dbraw/zinc/19/93/41/208199341.db2.gz BNMWKFNJPCNQSO-ZACQAIPSSA-N 1 0 353.463 0.022 40 0 biogenic,in-vitro FCABRO COC(=O)c1ccc(CS(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000044946145 208325670 /nfs/dbraw/zinc/32/56/70/208325670.db2.gz LLQRWYSRRPJPQE-UHFFFAOYSA-N 1 0 369.487 0.530 40 0 FCABRO O=C(c1ccccn1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224321049 132283015 /nfs/dbraw/zinc/28/30/15/132283015.db2.gz XORNLGOXXCXYOT-UHFFFAOYSA-N 1 0 354.414 0.671 40 0 FCABRO O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008254146 487515083 /nfs/dbraw/zinc/51/50/83/487515083.db2.gz FOGIODWSAMEWMU-NXHRZFHOSA-N 1 0 370.457 0.235 40 0 biogenic,in-vitro FCABRO CCn1nc2n(c(=O)c1=O)C[C@H]1CC[N@@H+](Cc3cccnc3OC)C[C@@H]21 ZINC000306140293 488894136 /nfs/dbraw/zinc/89/41/36/488894136.db2.gz UPABOSOATSDCAJ-TZMCWYRMSA-N 1 0 357.414 0.448 40 0 FCABRO Cc1cn2c3c(nc2n1CC[NH+]1C[C@H](C)C[C@@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000010233869 487532293 /nfs/dbraw/zinc/53/22/93/487532293.db2.gz HMXPADBVGRHAJA-CHWSQXEVSA-N 1 0 372.473 0.973 40 0 FCABRO C[C@@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000019078509 487602947 /nfs/dbraw/zinc/60/29/47/487602947.db2.gz UXZKSTJTCSOYCN-LSDHHAIUSA-N 1 0 359.474 0.549 40 0 FCABRO CC(C)(C)N1C[C@H](C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)CC1=O ZINC000019659821 487605663 /nfs/dbraw/zinc/60/56/63/487605663.db2.gz ZWSBURNDNCVPLH-CQSZACIVSA-N 1 0 352.479 0.337 40 0 FCABRO Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000019698003 487605703 /nfs/dbraw/zinc/60/57/03/487605703.db2.gz HSEUTFUILXERIT-HNNXBMFYSA-N 1 0 353.492 0.743 40 0 FCABRO CN1CCN(c2nccc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590148 487605736 /nfs/dbraw/zinc/60/57/36/487605736.db2.gz XYNWIBFARVLTKC-MSOLQXFVSA-N 1 0 360.506 0.259 40 0 FCABRO COc1cccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)CC[C@@]3(NC(C)=O)C2)c1 ZINC000019713663 487606440 /nfs/dbraw/zinc/60/64/40/487606440.db2.gz JLYIMDIHWOXAOV-RHSMWYFYSA-N 1 0 367.471 0.526 40 0 FCABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019760796 487606929 /nfs/dbraw/zinc/60/69/29/487606929.db2.gz LWQQVBGQQGQFSA-AWEZNQCLSA-N 1 0 368.507 0.740 40 0 FCABRO Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CC[NH+](C)CC2)n1 ZINC000019960256 487608144 /nfs/dbraw/zinc/60/81/44/487608144.db2.gz RWHPVJYHVOSEBS-UHFFFAOYSA-N 1 0 355.446 0.830 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020674586 487612233 /nfs/dbraw/zinc/61/22/33/487612233.db2.gz DXYCHLKVKHZTMJ-HZPDHXFCSA-N 1 0 372.425 0.475 40 0 FCABRO Cc1cn2c3c(nc2n1CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000023989836 487641609 /nfs/dbraw/zinc/64/16/09/487641609.db2.gz XOSRAYBNSJPHRT-BETUJISGSA-N 1 0 374.445 0.104 40 0 FCABRO O=S(=O)(NC[C@@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1)C1CC1 ZINC000247351722 488485268 /nfs/dbraw/zinc/48/52/68/488485268.db2.gz WDVSZGLJMJFHKZ-HNNXBMFYSA-N 1 0 368.503 0.823 40 0 FCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N2CCN(C(C)=O)CC2)CCCCC1 ZINC000096113075 488489141 /nfs/dbraw/zinc/48/91/41/488489141.db2.gz GDCWIPSFDCQPFP-INIZCTEOSA-N 1 0 364.490 0.590 40 0 biogenic,in-vitro FCABRO CCc1nccn1CC(=O)N1CCC2(CC1)C[C@H]([NH2+]C)[C@@](C)(O)CO2 ZINC000257205989 488523136 /nfs/dbraw/zinc/52/31/36/488523136.db2.gz BBKICOXGKGCGMY-YOEHRIQHSA-N 1 0 350.463 0.566 40 0 FCABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)C[NH+](C)C)CCO2)n1 ZINC000257253841 488524021 /nfs/dbraw/zinc/52/40/21/488524021.db2.gz KALISQQJTLUUEE-MRXNPFEDSA-N 1 0 356.430 0.891 40 0 FCABRO CCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000257277018 488524421 /nfs/dbraw/zinc/52/44/21/488524421.db2.gz NWCYXABPJMEWEQ-IBGZPJMESA-N 1 0 363.506 0.885 40 0 FCABRO Cn1c(=O)c2ccc([C@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2n(C)c1=O ZINC000257279247 488524638 /nfs/dbraw/zinc/52/46/38/488524638.db2.gz OFSYTZQINVPACL-ZDUSSCGKSA-N 1 0 371.441 0.044 40 0 FCABRO CC(=O)N1CCC(O)(CN2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)CC1 ZINC000257302553 488525425 /nfs/dbraw/zinc/52/54/25/488525425.db2.gz SDIYKAQQJXIXSB-HNNXBMFYSA-N 1 0 350.419 0.237 40 0 FCABRO OCCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257307536 488525514 /nfs/dbraw/zinc/52/55/14/488525514.db2.gz SZDBLWWUWONVAL-LJQANCHMSA-N 1 0 358.442 0.969 40 0 FCABRO Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257324928 488525831 /nfs/dbraw/zinc/52/58/31/488525831.db2.gz WQUCMQLAIGHRCY-BGTYHANMSA-N 1 0 374.441 0.023 40 0 FCABRO CCCn1cc(S(=O)(=O)N2C[C@H]3C[NH2+]CC[C@@]3(NC(C)=O)C2)c(C)n1 ZINC000257317332 488525967 /nfs/dbraw/zinc/52/59/67/488525967.db2.gz VJINIDGYAXTLDR-GDBMZVCRSA-N 1 0 369.491 0.090 40 0 FCABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000257308716 488526097 /nfs/dbraw/zinc/52/60/97/488526097.db2.gz TXVNJQJWEXADGT-QGZVFWFLSA-N 1 0 350.463 0.632 40 0 FCABRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000120758383 488562882 /nfs/dbraw/zinc/56/28/82/488562882.db2.gz ZJZNOIAYIFXOMT-CYBMUJFWSA-N 1 0 371.441 0.141 40 0 FCABRO CN1CC[C@H](NC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175195039 488853331 /nfs/dbraw/zinc/85/33/31/488853331.db2.gz BURXIOYPPHCHQV-ZWKOTPCHSA-N 1 0 374.485 0.962 40 0 FCABRO CC(=O)N1CCC(N2CC3(C2)C[N@H+](CC(C)C)C[C@@H]2C[C@@H](O)CN23)CC1 ZINC000514288891 490768899 /nfs/dbraw/zinc/76/88/99/490768899.db2.gz GSQWHZLZQSWQDM-RBUKOAKNSA-N 1 0 364.534 0.459 40 0 biogenic,in-vitro FCABRO C[C@]1([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575423548 491553446 /nfs/dbraw/zinc/55/34/46/491553446.db2.gz GHYXPHPAXSPPNB-ZDUSSCGKSA-N 1 0 366.892 0.785 40 0 FCABRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH3+])[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000575425507 491553744 /nfs/dbraw/zinc/55/37/44/491553744.db2.gz FPOOERUPBABVMT-OAHLLOKOSA-N 1 0 360.501 0.830 40 0 FCABRO [NH3+]CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425185 491553962 /nfs/dbraw/zinc/55/39/62/491553962.db2.gz PXWBEOMRWIZATM-NSHDSACASA-N 1 0 352.865 0.477 40 0 FCABRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000575426159 491553979 /nfs/dbraw/zinc/55/39/79/491553979.db2.gz NQTGLCZZSRJGSZ-GFCCVEGCSA-N 1 0 366.892 0.785 40 0 FCABRO Cc1ccc(OCc2nnc3n2CCN(C(=O)C[NH+](C)C)[C@H](C)C3)cn1 ZINC000585098245 491719364 /nfs/dbraw/zinc/71/93/64/491719364.db2.gz 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CCCn1cc(CN2CCC([N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1 ZINC000585290599 491721845 /nfs/dbraw/zinc/72/18/45/491721845.db2.gz FWYBUSUGBLTYHY-KURKYZTESA-N 1 0 352.479 0.310 40 0 FCABRO CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O ZINC000020464000 522964923 /nfs/dbraw/zinc/96/49/23/522964923.db2.gz LXRPVXFCLJPLPG-LTFPLMDUSA-N 1 0 370.453 0.594 40 0 biogenic,in-vitro FCABRO CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12C[NH2+]C2 ZINC001549174388 1267851240 /nfs/dbraw/zinc/85/12/40/1267851240.db2.gz CIBCRALMQZKHRH-KRWDZBQOSA-N 1 0 356.470 0.750 40 0 FCABRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000187171391 209205906 /nfs/dbraw/zinc/20/59/06/209205906.db2.gz AYLCYPAKUZIWPG-OAHLLOKOSA-N 1 0 364.421 0.953 40 0 FCABRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccnnc1)CCC2 ZINC000096197561 209133275 /nfs/dbraw/zinc/13/32/75/209133275.db2.gz BZLBDMAHACCKLI-UHFFFAOYSA-N 1 0 356.430 0.920 40 0 FCABRO CNC(=O)CN1CC2(CC[NH2+]CC2)COc2ccccc2S1(=O)=O 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207348869 /nfs/dbraw/zinc/34/88/69/207348869.db2.gz LYVFJYVDRCCZPK-NJSLBKSFSA-N 1 0 358.442 0.959 40 0 FCABRO O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000012483987 207382942 /nfs/dbraw/zinc/38/29/42/207382942.db2.gz BOMGHVJKULNWEW-LTFPLMDUSA-N 1 0 371.437 0.510 40 0 biogenic,in-vitro FCABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)c1ccccc1 ZINC000077264663 208200179 /nfs/dbraw/zinc/20/01/79/208200179.db2.gz HPYDFXNEYAGDMH-ZACQAIPSSA-N 1 0 363.439 0.278 40 0 biogenic,in-vitro FCABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000045164772 208327269 /nfs/dbraw/zinc/32/72/69/208327269.db2.gz ZCAAPWJLWSEOKB-UHFFFAOYSA-N 1 0 357.451 0.904 40 0 FCABRO CCS(=O)(=O)N1C[C@@H](C(=O)NCCC[NH+](C)C)Oc2ccccc21 ZINC000013677224 132869826 /nfs/dbraw/zinc/86/98/26/132869826.db2.gz IUNJQRWVUQKYBF-HNNXBMFYSA-N 1 0 355.460 0.672 40 0 FCABRO CC(=O)[C@@]1(O)CC=C2C[C@@H]3[C@@H]4C=C[C@@](O)(C(C)=O)[C@@H]5OC1=C2[C@@]54CC[N@H+]3C ZINC000095932121 209086974 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O=C(C[NH2+]CCCN1CCOCC1)Nc1ccccc1N1CCOCC1 ZINC000035311448 487795791 /nfs/dbraw/zinc/79/57/91/487795791.db2.gz BUKMTCYWVTYIEM-UHFFFAOYSA-N 1 0 362.474 0.774 40 0 FCABRO CN1C[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)CC1=O ZINC000072397267 488379832 /nfs/dbraw/zinc/37/98/32/488379832.db2.gz SNPQJXQRTZZUMY-UONOGXRCSA-N 1 0 357.458 0.649 40 0 FCABRO NC(=O)[C@H]([NH3+])CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000208820459 488439444 /nfs/dbraw/zinc/43/94/44/488439444.db2.gz BFTIPPVTTJTHLM-NMKXLXIOSA-N 1 0 371.507 0.861 40 0 FCABRO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 ZINC000225400689 488449869 /nfs/dbraw/zinc/44/98/69/488449869.db2.gz MSKSVTDIUZHUIY-JKSUJKDBSA-N 1 0 352.479 0.302 40 0 biogenic,in-vitro FCABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[NH+](C)C ZINC000225484567 488450675 /nfs/dbraw/zinc/45/06/75/488450675.db2.gz AAULRLGJORIEGG-UHFFFAOYSA-N 1 0 371.503 0.946 40 0 FCABRO CS(=O)(=O)N[C@@H](CC(=O)NCCN1CCOCC1)c1ccc(F)cc1 ZINC000225947955 488451495 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40 0 FCABRO CCn1cc(C(=O)N2CCC3(CC2)C[C@H]([NH2+]C)[C@@](C)(O)CO3)c(C)n1 ZINC000257261562 488524749 /nfs/dbraw/zinc/52/47/49/488524749.db2.gz LHWPYCZVBIKBOT-RDJZCZTQSA-N 1 0 350.463 0.946 40 0 FCABRO Cc1c(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)cnn1C ZINC000257306889 488525140 /nfs/dbraw/zinc/52/51/40/488525140.db2.gz SWLMWMJFQQDXMR-SFHVURJKSA-N 1 0 356.430 0.581 40 0 FCABRO CC(=O)N1CCC(O)(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)CC1 ZINC000257302554 488525397 /nfs/dbraw/zinc/52/53/97/488525397.db2.gz SDIYKAQQJXIXSB-OAHLLOKOSA-N 1 0 350.419 0.237 40 0 FCABRO COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257302015 488525484 /nfs/dbraw/zinc/52/54/84/488525484.db2.gz SAZJFZDWMXKOKT-FPAYPSAMSA-N 1 0 364.442 0.155 40 0 FCABRO Cn1cnc2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCN(C)CC4)CC3)ccc21 ZINC000257313784 488525774 /nfs/dbraw/zinc/52/57/74/488525774.db2.gz UUDKUOQCHFRROD-OALUTQOASA-N 1 0 371.485 0.786 40 0 FCABRO COC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257318311 488526090 /nfs/dbraw/zinc/52/60/90/488526090.db2.gz VNJABUCMNSWFPR-BZUAXINKSA-N 1 0 355.479 0.364 40 0 FCABRO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289537 490768580 /nfs/dbraw/zinc/76/85/80/490768580.db2.gz NSDYYZGZMKOPFE-ZWKOTPCHSA-N 1 0 372.469 0.206 40 0 biogenic,in-vitro FCABRO Cn1nnc2c1[C@H](COCC[NH+]1CCCC1)CN(C(=O)C1(F)CC1)C2 ZINC000585110890 491720095 /nfs/dbraw/zinc/72/00/95/491720095.db2.gz UYFKASVQXYLCAY-ZDUSSCGKSA-N 1 0 351.426 0.855 40 0 FCABRO C[C@@]1(C(N)=O)C[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585282513 491721061 /nfs/dbraw/zinc/72/10/61/491721061.db2.gz FLPNREFOYBKAHL-KRWDZBQOSA-N 1 0 351.422 0.733 40 0 FCABRO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585283390 491721317 /nfs/dbraw/zinc/72/13/17/491721317.db2.gz NZWJRNJCNBTEGC-AWEZNQCLSA-N 1 0 361.508 0.011 40 0 FCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccccn2)[C@@H](O)C1 ZINC000585286431 491721385 /nfs/dbraw/zinc/72/13/85/491721385.db2.gz ZNBJVQAIDNOWRZ-ICSRJNTNSA-N 1 0 355.438 0.738 40 0 FCABRO CC(C)C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291151 491721566 /nfs/dbraw/zinc/72/15/66/491721566.db2.gz LHDCJQPPNMOCQG-LMMKCTJWSA-N 1 0 350.459 0.629 40 0 FCABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCC(N)=O ZINC000022075688 528277037 /nfs/dbraw/zinc/27/70/37/528277037.db2.gz VFSYANDFOUMIGA-LLVKDONJSA-N 1 0 359.854 0.663 40 0 FCABRO CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1C[NH+]1CCN(C)CC1 ZINC001772594872 1179979256 /nfs/dbraw/zinc/97/92/56/1179979256.db2.gz CMAPQBCYWGFLHD-JFIYKMOQSA-N 1 0 363.506 0.435 40 0 FCABRO Cn1c(=O)cc(NCCC[NH+]2CCN(c3ccccc3O)CC2)n(C)c1=O ZINC000032254647 1245293354 /nfs/dbraw/zinc/29/33/54/1245293354.db2.gz RTAZNTLYYQIDMA-UHFFFAOYSA-N 1 0 373.457 0.414 40 0 FCABRO C[NH+](C)CC(=O)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 ZINC001549162895 1267844558 /nfs/dbraw/zinc/84/45/58/1267844558.db2.gz YFKAHGJTFXDWBO-ZDUSSCGKSA-N 1 0 363.393 0.004 40 0 FCABRO COc1cccc(Nc2ncnn3ccc(CN4CCC([NH3+])[C@H](O)C4)c23)c1 ZINC001560410213 1269202274 /nfs/dbraw/zinc/20/22/74/1269202274.db2.gz MMQAUJHCJVWQTC-QGZVFWFLSA-N 1 0 367.433 0.961 40 0 FCABRO C[NH+]1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000022822122 529771163 /nfs/dbraw/zinc/77/11/63/529771163.db2.gz XSENFTSEAHRFGQ-UHFFFAOYSA-N 1 0 354.476 0.425 40 0 FCABRO CN(C(=O)c1ccc(OCC[NH3+])cc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257217768 223025358 /nfs/dbraw/zinc/02/53/58/223025358.db2.gz DANKPJRNERTOKM-KZNAEPCWSA-N 1 0 363.458 0.320 40 0 FCABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccnn3C)[C@H]([NH+](C)C)[C@H]2O)c1 ZINC000257343374 223073558 /nfs/dbraw/zinc/07/35/58/223073558.db2.gz ZSSIIXGGRJRTII-BGTYHANMSA-N 1 0 374.441 0.670 40 0 FCABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)N(C)C)c1 ZINC000020244978 211272216 /nfs/dbraw/zinc/27/22/16/211272216.db2.gz FJFXBCDFUCGQAO-UHFFFAOYSA-N 1 0 370.519 0.984 40 0 FCABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)C[NH+](C)C)C2 ZINC000019711357 211247860 /nfs/dbraw/zinc/24/78/60/211247860.db2.gz OGQZVHVUWYXQQM-UHFFFAOYSA-N 1 0 374.489 0.691 40 0 FCABRO O=S(=O)(C1CCCC1)N1CCC(c2nnc3n2CC[NH2+]CC3)CC1 ZINC000019709512 211247913 /nfs/dbraw/zinc/24/79/13/211247913.db2.gz XRUNTYRKNSIMEX-UHFFFAOYSA-N 1 0 353.492 0.876 40 0 FCABRO CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019526962 211229065 /nfs/dbraw/zinc/22/90/65/211229065.db2.gz AZCAIEHFACQDIY-ZIAGYGMSSA-N 1 0 357.458 0.697 40 0 FCABRO CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019526961 211227712 /nfs/dbraw/zinc/22/77/12/211227712.db2.gz AZCAIEHFACQDIY-KGLIPLIRSA-N 1 0 357.458 0.697 40 0 FCABRO CN(C)S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000013677833 211048175 /nfs/dbraw/zinc/04/81/75/211048175.db2.gz ROEBBXBZIWSEOZ-UHFFFAOYSA-N 1 0 360.524 0.497 40 0 FCABRO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000020465036 220327372 /nfs/dbraw/zinc/32/73/72/220327372.db2.gz LZHWPYAQCCXRTM-FXUDXRNXSA-N 1 0 371.384 0.671 40 0 biogenic,in-vitro FCABRO CN(CC[NH+](C)C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccccc2)[C@@H]1O ZINC000020463961 220327805 /nfs/dbraw/zinc/32/78/05/220327805.db2.gz OUSVDKSUFBAXMX-OVYGPGRDSA-N 1 0 364.446 0.155 40 0 biogenic,in-vitro FCABRO CC(C)[C@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061992893 221138280 /nfs/dbraw/zinc/13/82/80/221138280.db2.gz SOODLZHDDSGRKL-LQZABQIISA-N 1 0 353.415 0.244 40 0 FCABRO CN(C)C(=O)[C@]12C[N@H+](Cc3cnn(C)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251134 132224193 /nfs/dbraw/zinc/22/41/93/132224193.db2.gz NPLBPXOSWBSJBA-VQIMIIECSA-N 1 0 369.473 0.769 40 0 FCABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC000113952939 132247111 /nfs/dbraw/zinc/24/71/11/132247111.db2.gz XWLVGBKQJJKXPS-MRXNPFEDSA-N 1 0 367.471 0.732 40 0 FCABRO C[NH+]1CCN(c2ccc(NC(=S)NCCN3CCOCC3)cn2)CC1 ZINC000223893679 132280598 /nfs/dbraw/zinc/28/05/98/132280598.db2.gz NANNXCFYMGPPJO-UHFFFAOYSA-N 1 0 364.519 0.452 40 0 FCABRO CO[C@@H]1CCN(S(=O)(=O)N(C)C)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108597 222026753 /nfs/dbraw/zinc/02/67/53/222026753.db2.gz JKFRQSCYRWYBQG-ARFHVFGLSA-N 1 0 354.476 0.409 40 0 FCABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC[C@@H]2OC ZINC000096109409 222028116 /nfs/dbraw/zinc/02/81/16/222028116.db2.gz YIEOPZBCKXHPOT-ZNMIVQPWSA-N 1 0 356.492 0.767 40 0 FCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NCCN2CCOCC2)CCCCC1 ZINC000096113077 222031059 /nfs/dbraw/zinc/03/10/59/222031059.db2.gz JOVQAMGAUUFSMD-INIZCTEOSA-N 1 0 366.506 0.348 40 0 biogenic,in-vitro FCABRO C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN(S(C)(=O)=O)C2)O1 ZINC000096063514 222009043 /nfs/dbraw/zinc/00/90/43/222009043.db2.gz KZMMMDYVLQOXMA-JKSUJKDBSA-N 1 0 358.460 0.921 40 0 FCABRO Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@@H+]2Cc2cnn(C)c2)cn1 ZINC000096087481 222018479 /nfs/dbraw/zinc/01/84/79/222018479.db2.gz LFGRKVOBKNLZDR-MOPGFXCFSA-N 1 0 357.506 0.587 40 0 FCABRO CCN1C(=O)[C@H]2C[N@H+](CCOC)C[C@H]2C12CCN(C(=O)COC)CC2 ZINC000096143619 222046775 /nfs/dbraw/zinc/04/67/75/222046775.db2.gz SNNQYSRGFHATMB-LSDHHAIUSA-N 1 0 353.463 0.051 40 0 FCABRO COC(=O)CN1CC2(CC[NH2+]CC2)COc2ccccc2S1(=O)=O ZINC000096145218 222047130 /nfs/dbraw/zinc/04/71/30/222047130.db2.gz BKRHTNKEQRVXIT-UHFFFAOYSA-N 1 0 354.428 0.613 40 0 FCABRO CC(C)CNC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC000096143734 222047253 /nfs/dbraw/zinc/04/72/53/222047253.db2.gz BLWZGCXTMVOFDO-WMLDXEAASA-N 1 0 357.520 0.800 40 0 FCABRO O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4cccnc4)C3)[N@@H+]2C1 ZINC000514289810 263776648 /nfs/dbraw/zinc/77/66/48/263776648.db2.gz OWOGTJAGJPGIGB-WOJBJXKFSA-N 1 0 365.481 0.982 40 0 biogenic,in-vitro FCABRO CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(C)c(F)c3)C[C@H]1CC[NH2+]C2 ZINC000019713581 487606687 /nfs/dbraw/zinc/60/66/87/487606687.db2.gz HPVHEQZGWWMXPS-CZUORRHYSA-N 1 0 355.435 0.623 40 0 FCABRO CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760281 487606889 /nfs/dbraw/zinc/60/68/89/487606889.db2.gz UEUZCEZWWHFGJM-CQSZACIVSA-N 1 0 370.523 0.986 40 0 FCABRO CC(=O)N1CCC([N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccn2)CC1 ZINC000067897168 488357908 /nfs/dbraw/zinc/35/79/08/488357908.db2.gz ZDUGPFWTUGUBKK-MSOLQXFVSA-N 1 0 358.442 0.504 40 0 biogenic,in-vitro FCABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O)c1ccccc1 ZINC000077264629 488409894 /nfs/dbraw/zinc/40/98/94/488409894.db2.gz QSGABNOIAMDZDF-KURKYZTESA-N 1 0 362.451 0.883 40 0 biogenic,in-vitro FCABRO CN(C)C(=O)COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096044884 488488559 /nfs/dbraw/zinc/48/85/59/488488559.db2.gz UZHXFXBEYACRRR-HNNXBMFYSA-N 1 0 350.463 0.851 40 0 FCABRO CC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)OC)c3)C2)C1 ZINC000514290113 490769133 /nfs/dbraw/zinc/76/91/33/490769133.db2.gz TWVWQOHQDPNJIF-IAGOWNOFSA-N 1 0 373.453 0.439 40 0 biogenic,in-vitro FCABRO CC(C)c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575422242 491553459 /nfs/dbraw/zinc/55/34/59/491553459.db2.gz UDVMFXOLGQWLLS-CQSZACIVSA-N 1 0 360.501 0.865 40 0 FCABRO [NH3+]CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425184 491553966 /nfs/dbraw/zinc/55/39/66/491553966.db2.gz PXWBEOMRWIZATM-LLVKDONJSA-N 1 0 352.865 0.477 40 0 FCABRO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000585269858 491720535 /nfs/dbraw/zinc/72/05/35/491720535.db2.gz MMLHJADURUKTBG-OALUTQOASA-N 1 0 350.459 0.979 40 0 FCABRO CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CCO)CC1 ZINC000585282211 491721141 /nfs/dbraw/zinc/72/11/41/491721141.db2.gz BQVTWOFMYINNMP-JKSUJKDBSA-N 1 0 355.479 0.501 40 0 FCABRO CNC(=O)[C@@]1(C)C[N@H+](CC2(O)CCN(c3ccccc3F)CC2)CCO1 ZINC000585287547 491721246 /nfs/dbraw/zinc/72/12/46/491721246.db2.gz YUDWKIMQNPCOKZ-GOSISDBHSA-N 1 0 365.449 0.994 40 0 FCABRO CC(C)CC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O ZINC000585289856 491721552 /nfs/dbraw/zinc/72/15/52/491721552.db2.gz LEPNNPVTVGOHDH-SJORKVTESA-N 1 0 356.488 0.809 40 0 FCABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(O)CC2)C1 ZINC000585290781 491721812 /nfs/dbraw/zinc/72/18/12/491721812.db2.gz FNZXGJBUTXBWEX-AEFFLSMTSA-N 1 0 368.861 0.273 40 0 FCABRO C[NH+](C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381803 492059493 /nfs/dbraw/zinc/05/94/93/492059493.db2.gz PDWDFEMUDYFVLB-GRLWTPEZSA-N 1 0 352.406 0.679 40 0 biogenic,in-vitro FCABRO Cc1c(C[N@@H+]2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)cnn1C ZINC000257336242 533845819 /nfs/dbraw/zinc/84/58/19/533845819.db2.gz YNQRHPJYRANWOQ-CXAGYDPISA-N 1 0 356.434 0.648 40 0 FCABRO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)s1 ZINC000257339952 533961328 /nfs/dbraw/zinc/96/13/28/533961328.db2.gz ZDWZHRMKIZSIIR-HIFRSBDPSA-N 1 0 353.469 0.851 40 0 FCABRO CC(=O)N(C)[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccnn3C)C[C@@H]2C[C@@]1(C)O ZINC000257280445 526470831 /nfs/dbraw/zinc/47/08/31/526470831.db2.gz OKWRZTBAQMOFJT-DZOHQFGASA-N 1 0 350.463 0.629 40 0 FCABRO CC(=O)N1CCC[C@@H]1C(=O)NCc1cnc(CC2CC[NH+](C)CC2)cn1 ZINC000257239971 526575291 /nfs/dbraw/zinc/57/52/91/526575291.db2.gz HRPUWHWYBJYXPC-GOSISDBHSA-N 1 0 359.474 0.988 40 0 FCABRO OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464820 527599458 /nfs/dbraw/zinc/59/94/58/527599458.db2.gz OJZZOFBTOMSNDT-LTIDMASMSA-N 1 0 356.850 0.251 40 0 biogenic,in-vitro FCABRO COCCN1c2ccnn2C2(CC[NH+](Cc3cnn(C)c3)CC2)CC1=O ZINC001772596406 1180054525 /nfs/dbraw/zinc/05/45/25/1180054525.db2.gz DYSYXUGHMNZPHL-UHFFFAOYSA-N 1 0 358.446 0.991 40 0 FCABRO COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O ZINC000012483821 1245290111 /nfs/dbraw/zinc/29/01/11/1245290111.db2.gz BDMLIFQJKSBZED-ARILJUKYSA-N 1 0 355.366 0.036 40 0 biogenic,in-vitro FCABRO COCC[NH+](CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCCC2)O1 ZINC000030879254 1245292854 /nfs/dbraw/zinc/29/28/54/1245292854.db2.gz FJDZXISFFMILKX-ULQDDVLXSA-N 1 0 358.479 0.502 40 0 biogenic,in-vitro FCABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000257239612 529773140 /nfs/dbraw/zinc/77/31/40/529773140.db2.gz HQCUFABODWPSIW-IBGZPJMESA-N 1 0 361.490 0.503 40 0 FCABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000257217531 529773288 /nfs/dbraw/zinc/77/32/88/529773288.db2.gz CZJJXBHISUPWAW-FQEVSTJZSA-N 1 0 361.486 0.926 40 0 FCABRO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306138755 210055641 /nfs/dbraw/zinc/05/56/41/210055641.db2.gz SGIQKDJDZTZDEI-LJQANCHMSA-N 1 0 369.425 0.385 40 0 FCABRO O=c1c(=O)n(Cc2ccncc2)nc2n1CC1(C2)CC[NH+](CC2CC2)CC1 ZINC000306138580 210056094 /nfs/dbraw/zinc/05/60/94/210056094.db2.gz SAZMYGOHQBVTLP-UHFFFAOYSA-N 1 0 367.453 0.897 40 0 FCABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccco3)C1)OC2 ZINC000306128383 210052087 /nfs/dbraw/zinc/05/20/87/210052087.db2.gz GZAKSOSXHQWCLC-SFHVURJKSA-N 1 0 360.414 0.829 40 0 FCABRO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)ncn1 ZINC000306140478 210055086 /nfs/dbraw/zinc/05/50/86/210055086.db2.gz UUOCRAXDNVITMP-UMVBOHGHSA-N 1 0 371.445 0.157 40 0 FCABRO CN1CCn2c(C(=O)N3CCOCC3)nnc2C12CC[NH+](CC1CC1)CC2 ZINC000306133902 210054335 /nfs/dbraw/zinc/05/43/35/210054335.db2.gz MYVLZIGAJUVVSD-UHFFFAOYSA-N 1 0 374.489 0.397 40 0 FCABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)[C@H]2O)c1 ZINC000257217343 223024408 /nfs/dbraw/zinc/02/44/08/223024408.db2.gz CYOBAECDWBDFNC-LMSBXDPUSA-N 1 0 350.415 0.149 40 0 FCABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 ZINC000257268902 223044373 /nfs/dbraw/zinc/04/43/73/223044373.db2.gz MNSOALBROSEVLM-AWEZNQCLSA-N 1 0 355.464 0.252 40 0 FCABRO Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257273898 223047539 /nfs/dbraw/zinc/04/75/39/223047539.db2.gz NIQPGBFFVHQINW-AWEZNQCLSA-N 1 0 354.476 0.822 40 0 FCABRO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257314062 223062178 /nfs/dbraw/zinc/06/21/78/223062178.db2.gz UVDXBGJZTCMQEF-GOSISDBHSA-N 1 0 359.430 0.647 40 0 FCABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)C[NH+]3CCCCC3)[C@H](O)[C@H]2O)c1 ZINC000257330007 223068035 /nfs/dbraw/zinc/06/80/35/223068035.db2.gz XMJWEGRVHOWOEQ-FPAYPSAMSA-N 1 0 364.442 0.539 40 0 FCABRO CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O ZINC000077263510 211697065 /nfs/dbraw/zinc/69/70/65/211697065.db2.gz VIQGCOOZUYJDBX-RYQLBKOJSA-N 1 0 353.463 0.956 40 0 biogenic,in-vitro FCABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000022525352 211354571 /nfs/dbraw/zinc/35/45/71/211354571.db2.gz TZUVBXHWGOZOLG-UHFFFAOYSA-N 1 0 353.488 0.906 40 0 FCABRO COc1cc(CNCC[NH2+]CCO)ccc1OCC(=O)NC(C)(C)C ZINC000022075865 211336133 /nfs/dbraw/zinc/33/61/33/211336133.db2.gz GZCLPPRSGYXPSQ-UHFFFAOYSA-N 1 0 353.463 0.660 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020674592 211293358 /nfs/dbraw/zinc/29/33/58/211293358.db2.gz DXYCHLKVKHZTMJ-CVEARBPZSA-N 1 0 372.425 0.475 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019752470 211254681 /nfs/dbraw/zinc/25/46/81/211254681.db2.gz NJEXQSBDYRYZJT-CYBMUJFWSA-N 1 0 356.496 0.490 40 0 FCABRO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000019657453 211242806 /nfs/dbraw/zinc/24/28/06/211242806.db2.gz AHRABMKSAAUHKU-OAHLLOKOSA-N 1 0 374.441 0.295 40 0 FCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)CCn3nccc3C)C[C@@H]2C[C@@]1(C)O ZINC000257260307 532973856 /nfs/dbraw/zinc/97/38/56/532973856.db2.gz LCGVTUDPLMDEMK-BVIKNXMNSA-N 1 0 350.463 0.558 40 0 FCABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000091686429 208137393 /nfs/dbraw/zinc/13/73/93/208137393.db2.gz WRFFMRDPCGHWKF-CQSZACIVSA-N 1 0 371.441 0.638 40 0 FCABRO CC(C)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000001689687 210364990 /nfs/dbraw/zinc/36/49/90/210364990.db2.gz OJKHWKUUKANMMH-UONOGXRCSA-N 1 0 370.475 0.397 40 0 FCABRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001578613 210360806 /nfs/dbraw/zinc/36/08/06/210360806.db2.gz MOZMMGVADQTNEZ-WMZOPIPTSA-N 1 0 366.421 0.956 40 0 FCABRO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH2+]CC3CC3)CN(C)C(=O)C2)CC1 ZINC000096113399 222030662 /nfs/dbraw/zinc/03/06/62/222030662.db2.gz OZCXMEHFOHSTFP-IAGOWNOFSA-N 1 0 350.507 0.777 40 0 biogenic,in-vitro FCABRO C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C(=O)C1CCOCC1 ZINC000096062035 222009807 /nfs/dbraw/zinc/00/98/07/222009807.db2.gz NBHFMINHJTYWGH-HNNXBMFYSA-N 1 0 361.490 0.960 40 0 FCABRO C[NH+](C)CCN1[C@@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O ZINC000096143078 222047265 /nfs/dbraw/zinc/04/72/65/222047265.db2.gz JZFJLRSDMSWBTD-OAHLLOKOSA-N 1 0 373.500 0.113 40 0 FCABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228454 222089754 /nfs/dbraw/zinc/08/97/54/222089754.db2.gz POUIBKNFXSRTBP-LPHOPBHVSA-N 1 0 359.474 0.735 40 0 FCABRO O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3CCO)cc2[nH]1 ZINC000257319792 229282600 /nfs/dbraw/zinc/28/26/00/229282600.db2.gz VUASWMWRFAXEQU-NEPJUHHUSA-N 1 0 366.443 0.076 40 0 FCABRO C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)C[N@@H+]3CC[C@@H](OC1=O)[C@H]23 ZINC000005080892 487485001 /nfs/dbraw/zinc/48/50/01/487485001.db2.gz YEXVXKIMPBHRQR-XZEWGWFPSA-N 1 0 353.415 0.244 40 0 FCABRO C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)C[N@@H+]3CC[C@@H](OC1=O)[C@H]23 ZINC000005412806 487487736 /nfs/dbraw/zinc/48/77/36/487487736.db2.gz YEXVXKIMPBHRQR-JMJKVCOMSA-N 1 0 353.415 0.244 40 0 FCABRO CN1C[C@@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)CC1=O ZINC000019590362 487605280 /nfs/dbraw/zinc/60/52/80/487605280.db2.gz SNPQJXQRTZZUMY-KGLIPLIRSA-N 1 0 357.458 0.649 40 0 FCABRO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000030873066 487750369 /nfs/dbraw/zinc/75/03/69/487750369.db2.gz UPCYBSKDEVOVIU-INIZCTEOSA-N 1 0 374.551 0.743 40 0 FCABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C3CCOCC3)[C@@H]2O)cc1 ZINC000077264715 488409909 /nfs/dbraw/zinc/40/99/09/488409909.db2.gz XPCYHCFUKWIOCZ-ZACQAIPSSA-N 1 0 370.471 0.170 40 0 biogenic,in-vitro FCABRO CC(C)C[NH+]1CC2(C1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225386240 488449882 /nfs/dbraw/zinc/44/98/82/488449882.db2.gz BQMRBSJVJQUMQV-SJORKVTESA-N 1 0 357.454 0.701 40 0 biogenic,in-vitro FCABRO OCCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257307535 488525037 /nfs/dbraw/zinc/52/50/37/488525037.db2.gz SZDBLWWUWONVAL-IBGZPJMESA-N 1 0 358.442 0.969 40 0 FCABRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000120758242 488562957 /nfs/dbraw/zinc/56/29/57/488562957.db2.gz ZJZNOIAYIFXOMT-ZDUSSCGKSA-N 1 0 371.441 0.141 40 0 FCABRO C[NH+](C)C1CCN(CCNC(=O)NCC2(O)Cc3ccccc3C2)CC1 ZINC000378286117 490040240 /nfs/dbraw/zinc/04/02/40/490040240.db2.gz BAXARKYYSJHXBF-UHFFFAOYSA-N 1 0 360.502 0.842 40 0 FCABRO CC(C)c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000575422241 491553424 /nfs/dbraw/zinc/55/34/24/491553424.db2.gz UDVMFXOLGQWLLS-AWEZNQCLSA-N 1 0 360.501 0.865 40 0 FCABRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1C ZINC000575423844 491553461 /nfs/dbraw/zinc/55/34/61/491553461.db2.gz RPYAZUQVXTUTIX-HNNXBMFYSA-N 1 0 360.501 0.749 40 0 FCABRO OCCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)cc1 ZINC000585269904 491720571 /nfs/dbraw/zinc/72/05/71/491720571.db2.gz POODPDITBOSCTL-IBGZPJMESA-N 1 0 350.459 0.717 40 0 FCABRO C[N@H+](C1CCN(C(=O)/C=C/c2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288192 491721204 /nfs/dbraw/zinc/72/12/04/491721204.db2.gz QPPMKBXQDRVLLP-LFYVNMEBSA-N 1 0 350.415 0.336 40 0 FCABRO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585285873 491721412 /nfs/dbraw/zinc/72/14/12/491721412.db2.gz STBMZHMTVOZXGH-PDOICOKGSA-N 1 0 357.454 0.969 40 0 FCABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccccn2)C1 ZINC000585284353 491721418 /nfs/dbraw/zinc/72/14/18/491721418.db2.gz KDKVEHKNLDITTK-AZUAARDMSA-N 1 0 355.438 0.852 40 0 FCABRO COc1ccc(CN2CCC([N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290943 491721825 /nfs/dbraw/zinc/72/18/25/491721825.db2.gz JDCGCRABWCVUQX-QRVBRYPASA-N 1 0 350.459 0.712 40 0 FCABRO C[NH+](C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044910146 535887689 /nfs/dbraw/zinc/88/76/89/535887689.db2.gz IGJLNPFGVQSCFB-ZDUSSCGKSA-N 1 0 361.851 0.545 40 0 FCABRO COCCN1[C@@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@@H]2OCCS1(=O)=O ZINC001534645775 1267267301 /nfs/dbraw/zinc/26/73/01/1267267301.db2.gz BSTKOMXARGXJDV-KGLIPLIRSA-N 1 0 368.446 0.926 40 0 FCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2ccc(F)c(F)c2)nn1 ZINC001549159181 1267838305 /nfs/dbraw/zinc/83/83/05/1267838305.db2.gz HLECDCOJHXMEOO-ARFHVFGLSA-N 1 0 354.357 0.621 40 0 FCABRO CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12C[NH2+]C2 ZINC001549174389 1267851476 /nfs/dbraw/zinc/85/14/76/1267851476.db2.gz CIBCRALMQZKHRH-QGZVFWFLSA-N 1 0 356.470 0.750 40 0 FCABRO Cn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)cn1 ZINC000306142426 210057566 /nfs/dbraw/zinc/05/75/66/210057566.db2.gz WZEKLWVTUAKFEG-UONOGXRCSA-N 1 0 355.446 0.598 40 0 FCABRO CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)nn2C)Cc2cncn21 ZINC000306140375 210056368 /nfs/dbraw/zinc/05/63/68/210056368.db2.gz URKVRYZLURMRHT-HNNXBMFYSA-N 1 0 352.464 0.421 40 0 FCABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCn2ncnc2[C@@H]3NC(=O)C2CC2)cn1 ZINC000306124777 210049592 /nfs/dbraw/zinc/04/95/92/210049592.db2.gz BZHFUKZXAYUEQR-MAUKXSAKSA-N 1 0 355.446 0.875 40 0 FCABRO CN(C)Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccco2)nn1 ZINC000008298571 291028879 /nfs/dbraw/zinc/02/88/79/291028879.db2.gz KVLIKMFMXFESFI-LESCRADOSA-N 1 0 372.473 0.960 40 0 biogenic,in-vitro FCABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000022584687 211357348 /nfs/dbraw/zinc/35/73/48/211357348.db2.gz HGAVJENEOGOUSY-CQSZACIVSA-N 1 0 357.458 0.608 40 0 FCABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 ZINC000019590485 211239519 /nfs/dbraw/zinc/23/95/19/211239519.db2.gz ZFUBYUBWWLEOPC-CQSZACIVSA-N 1 0 365.503 0.985 40 0 FCABRO C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1)N1CCCC1=O ZINC000019078103 211201500 /nfs/dbraw/zinc/20/15/00/211201500.db2.gz COXCHCXFULHFCE-ZDUSSCGKSA-N 1 0 357.458 0.839 40 0 FCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC[C@]1(C)O ZINC000257234152 533012973 /nfs/dbraw/zinc/01/29/73/533012973.db2.gz GSKBFSXAVMXLED-YOEHRIQHSA-N 1 0 359.430 0.463 40 0 FCABRO NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001578615 210360341 /nfs/dbraw/zinc/36/03/41/210360341.db2.gz MOZMMGVADQTNEZ-FUHWJXTLSA-N 1 0 366.421 0.956 40 0 FCABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(c1ccc3nncn3n1)CC2 ZINC000306132011 132301312 /nfs/dbraw/zinc/30/13/12/132301312.db2.gz KVOQOPHUYOIEMT-OAHLLOKOSA-N 1 0 360.462 0.936 40 0 FCABRO CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)C1 ZINC000096267701 222107775 /nfs/dbraw/zinc/10/77/75/222107775.db2.gz ZAVJXUZODFRBSF-GDBMZVCRSA-N 1 0 370.457 0.841 40 0 FCABRO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2N1S(C)(=O)=O ZINC000096182892 222069418 /nfs/dbraw/zinc/06/94/18/222069418.db2.gz IRQTYRVRVVPACB-OAGGEKHMSA-N 1 0 351.472 0.575 40 0 FCABRO CN(C)C(=O)CN1CCN(C)C2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000096230088 222090940 /nfs/dbraw/zinc/09/09/40/222090940.db2.gz VKGPXELLJIHATP-UHFFFAOYSA-N 1 0 359.474 0.278 40 0 FCABRO COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCOCC1 ZINC000020503808 229148261 /nfs/dbraw/zinc/14/82/61/229148261.db2.gz CBWHGWZXBNXNQD-HRCADAONSA-N 1 0 356.536 0.140 40 0 biogenic,in-vitro FCABRO COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3NC1=O)[N@H+]1CCC[C@@H]21 ZINC000008996021 487522594 /nfs/dbraw/zinc/52/25/94/487522594.db2.gz VTKFJXWTHNXJPM-XMDUPGNXSA-N 1 0 355.394 0.560 40 0 FCABRO Cc1ccc(C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000010111654 487531519 /nfs/dbraw/zinc/53/15/19/487531519.db2.gz WJVFQJPUHGFFLD-UHFFFAOYSA-N 1 0 355.460 0.307 40 0 FCABRO CN1C[C@@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)CC1=O ZINC000019590363 487605669 /nfs/dbraw/zinc/60/56/69/487605669.db2.gz SNPQJXQRTZZUMY-KBPBESRZSA-N 1 0 357.458 0.649 40 0 FCABRO CC(=O)N[C@]12CN(S(=O)(=O)Cc3ccc(F)cc3)C[C@H]1C[NH2+]CC2 ZINC000019713667 487607203 /nfs/dbraw/zinc/60/72/03/487607203.db2.gz AZLUTFIEXZDAPL-GDBMZVCRSA-N 1 0 355.435 0.456 40 0 FCABRO C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2)C[C@@](O)(Cn2cncn2)C1 ZINC000072354536 488379774 /nfs/dbraw/zinc/37/97/74/488379774.db2.gz NUUPQZXZRNBYLG-GOSISDBHSA-N 1 0 361.421 0.555 40 0 FCABRO CN(c1ccc(CC(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000225978545 488451287 /nfs/dbraw/zinc/45/12/87/488451287.db2.gz XPKPYJDERNALTK-UHFFFAOYSA-N 1 0 355.460 0.073 40 0 FCABRO CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036555 488488631 /nfs/dbraw/zinc/48/86/31/488488631.db2.gz KQJFGASRHWUDCK-GOSISDBHSA-N 1 0 369.531 0.992 40 0 FCABRO CN(C)S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)c1ccccc1F ZINC000113947688 488539158 /nfs/dbraw/zinc/53/91/58/488539158.db2.gz MZDLPYWVTRFJPU-UHFFFAOYSA-N 1 0 372.466 0.649 40 0 FCABRO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](CC3CC3)C2)C1 ZINC000514288813 490768464 /nfs/dbraw/zinc/76/84/64/490768464.db2.gz FSHZGTGYJVMBNV-RBUKOAKNSA-N 1 0 355.482 0.971 40 0 biogenic,in-vitro FCABRO Cc1ccc(C)c(S(=O)(=O)NCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000575426056 491553974 /nfs/dbraw/zinc/55/39/74/491553974.db2.gz LMNOQUFUUSJSBI-HNNXBMFYSA-N 1 0 360.501 0.749 40 0 FCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)CC1 ZINC000585285498 491721277 /nfs/dbraw/zinc/72/12/77/491721277.db2.gz YYRWWABCLDLBAS-DLBZAZTESA-N 1 0 366.506 0.022 40 0 FCABRO CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290930 491721724 /nfs/dbraw/zinc/72/17/24/491721724.db2.gz IYKYNKATKPIVQR-PFTVGFCYSA-N 1 0 351.491 0.711 40 0 FCABRO O=C(C[C@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccncc3F)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381707 492059600 /nfs/dbraw/zinc/05/96/00/492059600.db2.gz LGPJBBJIJHIQHO-NHQZAOEJSA-N 1 0 365.405 0.265 40 0 biogenic,in-vitro FCABRO COc1cccc([C@H]2C[C@@](O)(CNC(=O)C[NH+](C)C)[C@H](O)[C@@H](C)O2)c1 ZINC000257205837 533799589 /nfs/dbraw/zinc/79/95/89/533799589.db2.gz BAUQQGDPSQWGAK-DGCUDZEOSA-N 1 0 352.431 0.315 40 0 FCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514289060 518093632 /nfs/dbraw/zinc/09/36/32/518093632.db2.gz PYAVVJBCSMHNIH-VSZNYVQBSA-N 1 0 363.458 0.725 40 0 biogenic,in-vitro FCABRO Cc1cnn(CC(=O)N2CC[C@H](O)[C@@H]([N@H+](C)C3CCOCC3)CC2)c1 ZINC000257340110 534733422 /nfs/dbraw/zinc/73/34/22/534733422.db2.gz ZEPKDBROVGFLIT-IRXDYDNUSA-N 1 0 350.463 0.654 40 0 FCABRO O=C(N[C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)[C@@H]1O)c1ccccn1 ZINC000257279715 526970059 /nfs/dbraw/zinc/97/00/59/526970059.db2.gz OHWFCUIHXDPPES-FCGDIQPGSA-N 1 0 353.422 0.732 40 0 FCABRO O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298238 1192256722 /nfs/dbraw/zinc/25/67/22/1192256722.db2.gz NIWMRDRVLDRPEA-JQHSSLGASA-N 1 0 355.442 0.797 40 0 biogenic,in-vitro FCABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1O ZINC000952844609 1206208041 /nfs/dbraw/zinc/20/80/41/1206208041.db2.gz AUNLAUDDOREMEW-HSFUPAIVSA-N 1 0 359.382 0.736 40 0 biogenic,in-vitro FCABRO O[C@@H]1[C@@H](n2cnc3ccccc32)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cncnc1 ZINC000952844956 1206208513 /nfs/dbraw/zinc/20/85/13/1206208513.db2.gz WJVAQTFNEQUFDP-HSFUPAIVSA-N 1 0 353.382 0.642 40 0 biogenic,in-vitro FCABRO O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC001549160097 1267838203 /nfs/dbraw/zinc/83/82/03/1267838203.db2.gz AIPVIAHEGCNETA-BMGDILEWSA-N 1 0 358.398 0.802 40 0 FCABRO C[NH+]1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000022822185 529770911 /nfs/dbraw/zinc/77/09/11/529770911.db2.gz UBFKBJHHXQSYQZ-UHFFFAOYSA-N 1 0 354.476 0.425 40 0 FCABRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(-n4cnnc4)cc3)CC2)C1=O ZINC000329188772 214835263 /nfs/dbraw/zinc/83/52/63/214835263.db2.gz QMSSLCODOQFMMS-KRWDZBQOSA-N 1 0 368.441 0.692 40 0 FCABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257320892 529951094 /nfs/dbraw/zinc/95/10/94/529951094.db2.gz VZBSQMBVQFYIAS-KRWDZBQOSA-N 1 0 370.457 0.673 40 0 FCABRO CNC(=O)C1CCN(Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000029146554 210166676 /nfs/dbraw/zinc/16/66/76/210166676.db2.gz VZDWOCKVSZBGKD-UHFFFAOYSA-N 1 0 354.414 0.539 40 0 FCABRO CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 ZINC000306142987 210058194 /nfs/dbraw/zinc/05/81/94/210058194.db2.gz XQAJYTYNAQHITD-AWEZNQCLSA-N 1 0 352.464 0.704 40 0 FCABRO CCn1cc(CN2CCn3cc(CC(=O)NCCOC)nc3[C@@H]2C)cn1 ZINC000306140433 210055985 /nfs/dbraw/zinc/05/59/85/210055985.db2.gz UTPVDGJIBLJUPS-AWEZNQCLSA-N 1 0 360.462 0.981 40 0 FCABRO CCn1nc2n(c(=O)c1=O)C[C@@H]1CC[N@@H+](Cc3cccnc3OC)C[C@@H]21 ZINC000306140290 210055020 /nfs/dbraw/zinc/05/50/20/210055020.db2.gz UPABOSOATSDCAJ-GXTWGEPZSA-N 1 0 357.414 0.448 40 0 FCABRO Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)n(C)n1 ZINC000306139234 210055050 /nfs/dbraw/zinc/05/50/50/210055050.db2.gz SSTDBRSVGHOTLZ-YSVLISHTSA-N 1 0 356.430 0.395 40 0 FCABRO CC[NH+]1CCC(C(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000249691959 222967718 /nfs/dbraw/zinc/96/77/18/222967718.db2.gz MBJKNMGIDZDJQD-HNNXBMFYSA-N 1 0 369.491 0.048 40 0 FCABRO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1CC[C@H](CC(=O)N(C)C)[N@H+]1C ZINC000257214536 223023077 /nfs/dbraw/zinc/02/30/77/223023077.db2.gz CMJLZTYSOUWWDI-OLZOCXBDSA-N 1 0 357.480 0.246 40 0 FCABRO CN(C(=O)c1cccc(OCC[NH3+])c1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257279100 223047687 /nfs/dbraw/zinc/04/76/87/223047687.db2.gz OFAGWONBXIKDJY-KZNAEPCWSA-N 1 0 363.458 0.320 40 0 FCABRO O=C(NC[C@]1(O)CC[N@@H+](CC2CCOCC2)C[C@H]1O)c1cscn1 ZINC000257309256 223060369 /nfs/dbraw/zinc/06/03/69/223060369.db2.gz UAGFHKXAIHZNLA-GDBMZVCRSA-N 1 0 355.460 0.097 40 0 FCABRO CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCCCC2)[C@@H](O)C1 ZINC000257340268 223072009 /nfs/dbraw/zinc/07/20/09/223072009.db2.gz ZFHBWQSRGHABTM-YPGZOORISA-N 1 0 358.479 0.955 40 0 FCABRO O=C(NC[C@]1(O)C[N@@H+](CCCc2ccccc2)C[C@H]1O)c1ccccn1 ZINC000257342309 223073037 /nfs/dbraw/zinc/07/30/37/223073037.db2.gz ZOCGFFQWZWXUJZ-QUCCMNQESA-N 1 0 355.438 0.852 40 0 FCABRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000246703973 209399349 /nfs/dbraw/zinc/39/93/49/209399349.db2.gz ZMFXKDSNIKHRBT-MSOLQXFVSA-N 1 0 371.485 0.970 40 0 FCABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)c(OC)c1 ZINC000010111391 210863285 /nfs/dbraw/zinc/86/32/85/210863285.db2.gz NHFQNYNJUUCTCX-UHFFFAOYSA-N 1 0 373.475 0.538 40 0 FCABRO CNC(=O)[C@]12C[N@H+](Cc3cnn(C)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251092 132224205 /nfs/dbraw/zinc/22/42/05/132224205.db2.gz FUMQJFJKPNSICX-CRAIPNDOSA-N 1 0 355.446 0.427 40 0 FCABRO O=C(c1ccncc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330467 132282921 /nfs/dbraw/zinc/28/29/21/132282921.db2.gz QEYVZMRVYACSAM-UHFFFAOYSA-N 1 0 354.414 0.671 40 0 FCABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(c1ccc3nncn3n1)CC2 ZINC000306132010 132301517 /nfs/dbraw/zinc/30/15/17/132301517.db2.gz KVOQOPHUYOIEMT-HNNXBMFYSA-N 1 0 360.462 0.936 40 0 FCABRO CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1 ZINC000020465417 132896699 /nfs/dbraw/zinc/89/66/99/132896699.db2.gz YVGUXBJYSXACLH-YDZRNGNQSA-N 1 0 367.465 0.435 40 0 biogenic,in-vitro FCABRO C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C(=O)C1CCOCC1 ZINC000096062034 222008496 /nfs/dbraw/zinc/00/84/96/222008496.db2.gz NBHFMINHJTYWGH-OAHLLOKOSA-N 1 0 361.490 0.960 40 0 FCABRO Cc1cnc(CNC(=O)C2=NO[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cn1 ZINC000096074556 222012500 /nfs/dbraw/zinc/01/25/00/222012500.db2.gz ADCBHCQOIVUQIB-KBXCAEBGSA-N 1 0 359.430 0.659 40 0 FCABRO COCCN1C(=O)C[C@@H](c2cnn(C)c2)C12CC[NH+](CCOC)CC2 ZINC000096199891 222073340 /nfs/dbraw/zinc/07/33/40/222073340.db2.gz WOEDKXJXJFUMCR-INIZCTEOSA-N 1 0 350.463 0.863 40 0 FCABRO O=C1N(CC[NH+]2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096224256 222087209 /nfs/dbraw/zinc/08/72/09/222087209.db2.gz BMUHXAMEAQRZQN-QGZVFWFLSA-N 1 0 355.504 0.889 40 0 FCABRO COCC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004897778 487481886 /nfs/dbraw/zinc/48/18/86/487481886.db2.gz WLEPKBUDTQLMKJ-UHFFFAOYSA-N 1 0 355.460 0.064 40 0 FCABRO CC(=O)N[C@]12C[N@H+](C)C[C@H]1CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000019713092 487606954 /nfs/dbraw/zinc/60/69/54/487606954.db2.gz FKTLQVFOSNZIOY-DOTOQJQBSA-N 1 0 351.472 0.826 40 0 FCABRO O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@H]2CCCC[C@@H]21 ZINC000032223561 487769512 /nfs/dbraw/zinc/76/95/12/487769512.db2.gz GHBJUKUERZIRHU-HOTGVXAUSA-N 1 0 367.470 0.657 40 0 FCABRO CN(C)S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c1ccccc1F ZINC000038771649 487808462 /nfs/dbraw/zinc/80/84/62/487808462.db2.gz ZYDGTCVPPHTOKB-UHFFFAOYSA-N 1 0 360.455 0.506 40 0 FCABRO CCN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CC[NH2+]CC2)CC1 ZINC000072210796 488379288 /nfs/dbraw/zinc/37/92/88/488379288.db2.gz RGBRHEXAIDZYPZ-UHFFFAOYSA-N 1 0 373.910 0.471 40 0 FCABRO CC(C)(C)OC(=O)N1CCN(CC2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000217931215 488442783 /nfs/dbraw/zinc/44/27/83/488442783.db2.gz LESMAMHQUVRJBM-UHFFFAOYSA-N 1 0 361.508 0.706 40 0 FCABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCC[NH+](C)C ZINC000222580037 488446994 /nfs/dbraw/zinc/44/69/94/488446994.db2.gz ZOLFNHBJLAIVDK-UHFFFAOYSA-N 1 0 357.476 0.556 40 0 FCABRO C[NH+]1CCC(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000224254513 488449472 /nfs/dbraw/zinc/44/94/72/488449472.db2.gz XRJUIRFMQXNWLQ-UHFFFAOYSA-N 1 0 357.451 0.798 40 0 FCABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC[NH+](C)C ZINC000225005397 488449506 /nfs/dbraw/zinc/44/95/06/488449506.db2.gz SYDITXDPCRNWJJ-OAHLLOKOSA-N 1 0 357.476 0.918 40 0 FCABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+](C)C ZINC000224160590 488449554 /nfs/dbraw/zinc/44/95/54/488449554.db2.gz HZNQEQDVDIUHOT-ZDUSSCGKSA-N 1 0 357.476 0.918 40 0 FCABRO O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC[NH+]1CCCCC1)C2 ZINC000096038729 488488620 /nfs/dbraw/zinc/48/86/20/488488620.db2.gz BBKXUGDGBSIOLY-IEBWSBKVSA-N 1 0 351.491 0.812 40 0 FCABRO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000108532577 488519599 /nfs/dbraw/zinc/51/95/99/488519599.db2.gz SUMPMHJMBFZESI-OAHLLOKOSA-N 1 0 356.492 0.791 40 0 FCABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(F)c(Cl)c3)[C@H]2O)CC1 ZINC000514288400 490768446 /nfs/dbraw/zinc/76/84/46/490768446.db2.gz CONWEQIERZCREC-HRCADAONSA-N 1 0 371.840 0.585 40 0 biogenic,in-vitro FCABRO C[C@@]1([NH2+]CCNS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000575421457 491553379 /nfs/dbraw/zinc/55/33/79/491553379.db2.gz INYLDNYZVLMXFM-CYBMUJFWSA-N 1 0 350.437 0.271 40 0 FCABRO COc1ccc(C(=O)CNCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575420853 491553529 /nfs/dbraw/zinc/55/35/29/491553529.db2.gz FEMHRCDPWJWLEB-KRWDZBQOSA-N 1 0 370.471 0.643 40 0 FCABRO Cc1ccc(Cl)cc1S(=O)(=O)NCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000575425402 491553972 /nfs/dbraw/zinc/55/39/72/491553972.db2.gz DTBZUANUJNLJAQ-LBPRGKRZSA-N 1 0 366.892 0.703 40 0 FCABRO C[NH+](C)CC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585287645 491721199 /nfs/dbraw/zinc/72/11/99/491721199.db2.gz ZWSZOAZKOZNTDV-KRWDZBQOSA-N 1 0 369.849 0.753 40 0 FCABRO C[N@H+](C1CCN(C(=O)CCc2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287710 491721494 /nfs/dbraw/zinc/72/14/94/491721494.db2.gz BWCVYXSZZLUXTJ-NUJGCVRESA-N 1 0 352.431 0.256 40 0 FCABRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCO[C@@H]2CCC[C@@H]21 ZINC000627090919 493086734 /nfs/dbraw/zinc/08/67/34/493086734.db2.gz COQRQSVIPRUMAM-YNEHKIRRSA-N 1 0 350.385 0.785 40 0 FCABRO Cc1ccsc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc[nH]2)[C@H](O)C1 ZINC000257226881 534471427 /nfs/dbraw/zinc/47/14/27/534471427.db2.gz FMPCXAKJIWVDAJ-GDBMZVCRSA-N 1 0 350.444 0.507 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000257298832 526702151 /nfs/dbraw/zinc/70/21/51/526702151.db2.gz RNLDTSGPVGBQNJ-GOSISDBHSA-N 1 0 363.462 0.367 40 0 FCABRO CCN(CC)S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257262980 528214052 /nfs/dbraw/zinc/21/40/52/528214052.db2.gz LNVYFYDQVRRXSG-CYBMUJFWSA-N 1 0 355.451 0.741 40 0 FCABRO Cn1cncc1CN1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCN12 ZINC001772595217 1180029147 /nfs/dbraw/zinc/02/91/47/1180029147.db2.gz CSOOLOFUCHDYEL-GOSISDBHSA-N 1 0 372.517 0.580 40 0 FCABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@@H]2O)c1 ZINC000952844734 1206207763 /nfs/dbraw/zinc/20/77/63/1206207763.db2.gz HXCQAWQEFYEQQY-HSFUPAIVSA-N 1 0 359.382 0.736 40 0 biogenic,in-vitro FCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)CC[C@@H]2O)CC1 ZINC000257215028 529776464 /nfs/dbraw/zinc/77/64/64/529776464.db2.gz COJDBEUGVCKRIN-IRXDYDNUSA-N 1 0 359.474 0.567 40 0 FCABRO Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CC[N@H+](Cc2cccnc2)C1 ZINC000306129413 210052459 /nfs/dbraw/zinc/05/24/59/210052459.db2.gz ICGXEAQJPMMWFH-IBGZPJMESA-N 1 0 363.425 0.981 40 0 FCABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 ZINC000306126893 210049552 /nfs/dbraw/zinc/04/95/52/210049552.db2.gz FIEHABCDONXBBN-HUUCEWRRSA-N 1 0 356.430 0.168 40 0 FCABRO O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298857 291031124 /nfs/dbraw/zinc/03/11/24/291031124.db2.gz BRVWAFDZANYSSS-QGTPRVQTSA-N 1 0 361.490 0.972 40 0 biogenic,in-vitro FCABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCCN2CCOCC2)c1 ZINC000257205627 223018009 /nfs/dbraw/zinc/01/80/09/223018009.db2.gz AZYFFWUXKOEIIU-UHFFFAOYSA-N 1 0 357.458 0.996 40 0 FCABRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCOCC3)CC2)[nH]c(=O)n1 ZINC000257211993 223022007 /nfs/dbraw/zinc/02/20/07/223022007.db2.gz CBLMSPQAFSDEGP-QGZVFWFLSA-N 1 0 350.419 0.180 40 0 FCABRO Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](C[NH2+]Cc2ccccc2)C[C@@H]1O ZINC000257219142 223025329 /nfs/dbraw/zinc/02/53/29/223025329.db2.gz DFTUUGWIGFBEHT-WMHQRMGPSA-N 1 0 354.414 0.481 40 0 FCABRO CCn1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)cn1 ZINC000257234436 223030201 /nfs/dbraw/zinc/03/02/01/223030201.db2.gz GTNJCFZZFWTARG-RDJZCZTQSA-N 1 0 350.463 0.979 40 0 FCABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(C(=O)C[NH+](C)C)CCO2)n1 ZINC000257253840 223038745 /nfs/dbraw/zinc/03/87/45/223038745.db2.gz KALISQQJTLUUEE-INIZCTEOSA-N 1 0 356.430 0.891 40 0 FCABRO C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1 ZINC000012604815 220013535 /nfs/dbraw/zinc/01/35/35/220013535.db2.gz KIGAVZCSHSTZCI-GWCFXTLKSA-N 1 0 350.806 0.601 40 0 biogenic,in-vitro FCABRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1=O ZINC000019750952 211253934 /nfs/dbraw/zinc/25/39/34/211253934.db2.gz ZIMPUCDUYABWJF-KRWDZBQOSA-N 1 0 370.453 0.969 40 0 FCABRO C[NH+](C)CC[C@H](NC(=O)c1cccn(CC(N)=O)c1=O)c1ccccc1 ZINC000019750181 211253151 /nfs/dbraw/zinc/25/31/51/211253151.db2.gz BBYHINIZFOYVDB-INIZCTEOSA-N 1 0 356.426 0.756 40 0 FCABRO CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCC3([NH+](C)C)CCN(C)CC3)N2C=C1 ZINC000019461958 211222662 /nfs/dbraw/zinc/22/26/62/211222662.db2.gz UKCATKAGLNGBIK-IBGZPJMESA-N 1 0 373.501 0.992 40 0 FCABRO COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@@H]3CCC[NH2+]3)C1)O2 ZINC000012122837 210918872 /nfs/dbraw/zinc/91/88/72/210918872.db2.gz WMITVSGFCNIWTR-KXBFYZLASA-N 1 0 359.426 0.931 40 0 FCABRO Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CC[NH+](C)CC4)O[C@@H]3C2)nn1 ZINC000096042774 132217290 /nfs/dbraw/zinc/21/72/90/132217290.db2.gz ROEHKMDTYWDOBN-USXIJHARSA-N 1 0 359.474 0.979 40 0 FCABRO O=C(c1nc[nH]n1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096078208 222013246 /nfs/dbraw/zinc/01/32/46/222013246.db2.gz XLIILLGRMWZSNM-UHFFFAOYSA-N 1 0 356.430 0.955 40 0 FCABRO COCC[NH+]1CCC2(CC3(CCN(S(C)(=O)=O)CC3)N(C)C2=O)CC1 ZINC000096143681 222046925 /nfs/dbraw/zinc/04/69/25/222046925.db2.gz XZVVWWGVCOISFF-UHFFFAOYSA-N 1 0 373.519 0.371 40 0 FCABRO COCCN1CC2(CC[NH+](Cc3cnn(C)c3)CC2)[C@H](COC)C1=O ZINC000096206438 222077097 /nfs/dbraw/zinc/07/70/97/222077097.db2.gz XITGPASFPAWRBX-MRXNPFEDSA-N 1 0 350.463 0.754 40 0 FCABRO C[NH+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000101665510 222280413 /nfs/dbraw/zinc/28/04/13/222280413.db2.gz WGLSQUXKZSPXCH-ZDUSSCGKSA-N 1 0 357.451 0.904 40 0 FCABRO CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCC[NH+](C)C ZINC000005412670 487487463 /nfs/dbraw/zinc/48/74/63/487487463.db2.gz DYIANAGXBZJLBN-HOTGVXAUSA-N 1 0 354.495 0.855 40 0 biogenic,in-vitro FCABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCC(N)=O ZINC000007541480 487507252 /nfs/dbraw/zinc/50/72/52/487507252.db2.gz GGVDQXAWNZRAKA-UHFFFAOYSA-N 1 0 366.447 0.355 40 0 FCABRO COc1ccc(OC)c(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000010111561 487531579 /nfs/dbraw/zinc/53/15/79/487531579.db2.gz BAYOLGYALSMAMT-UHFFFAOYSA-N 1 0 359.448 0.148 40 0 FCABRO CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]1C[N@H+](C)CC2 ZINC000019713022 487606849 /nfs/dbraw/zinc/60/68/49/487606849.db2.gz PVKFOESUOLVNEI-NVXWUHKLSA-N 1 0 351.472 0.826 40 0 FCABRO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000038755558 487808545 /nfs/dbraw/zinc/80/85/45/487808545.db2.gz GXIGVIBYTREGMK-INIZCTEOSA-N 1 0 374.551 0.887 40 0 FCABRO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CCN(C)CC3)O2)no1 ZINC000077262779 488409728 /nfs/dbraw/zinc/40/97/28/488409728.db2.gz IHXNMOSSSRYEMY-RYQLBKOJSA-N 1 0 353.463 0.956 40 0 biogenic,in-vitro FCABRO C[NH+]1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000216435110 488441706 /nfs/dbraw/zinc/44/17/06/488441706.db2.gz QWBOTXSIKPTQOV-UHFFFAOYSA-N 1 0 360.502 0.886 40 0 FCABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143501 488442544 /nfs/dbraw/zinc/44/25/44/488442544.db2.gz JIVZNEBULDJISC-DZKIICNBSA-N 1 0 355.412 0.824 40 0 FCABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143404 488442897 /nfs/dbraw/zinc/44/28/97/488442897.db2.gz JIVZNEBULDJISC-IJEWVQPXSA-N 1 0 355.412 0.824 40 0 FCABRO CN(C)S(=O)(=O)N1CC2(C1)C[C@H](COCc1cccnc1)CCN2C ZINC000247922709 488491820 /nfs/dbraw/zinc/49/18/20/488491820.db2.gz CUGWDJFJBOZLGL-OAHLLOKOSA-N 1 0 368.503 0.801 40 0 FCABRO CCOCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)cc1 ZINC000257256309 488523991 /nfs/dbraw/zinc/52/39/91/488523991.db2.gz KKXLPUSIEXRQHH-BHIYHBOVSA-N 1 0 366.458 0.534 40 0 FCABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000575425800 491553677 /nfs/dbraw/zinc/55/36/77/491553677.db2.gz WXRYCEKZPYDFGT-NSHDSACASA-N 1 0 352.865 0.395 40 0 FCABRO COc1ccc(C(=O)CN(CC[NH3+])[C@@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575421501 491553526 /nfs/dbraw/zinc/55/35/26/491553526.db2.gz ITYDUEJZEZFLIR-KRWDZBQOSA-N 1 0 370.471 0.724 40 0 FCABRO Cc1ccc(S(=O)(=O)N(CC[NH3+])[C@]2(C)CCS(=O)(=O)C2)c(C)c1 ZINC000575425280 491553704 /nfs/dbraw/zinc/55/37/04/491553704.db2.gz SQUFYJLCXAUMRB-OAHLLOKOSA-N 1 0 360.501 0.830 40 0 FCABRO [NH3+]CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575424946 491553759 /nfs/dbraw/zinc/55/37/59/491553759.db2.gz CRBZHUAPYVXQSH-ZDUSSCGKSA-N 1 0 369.468 0.371 40 0 FCABRO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103131 491719585 /nfs/dbraw/zinc/71/95/85/491719585.db2.gz DLIGHHPSWHXUNC-LSDHHAIUSA-N 1 0 363.462 0.283 40 0 FCABRO CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)cc1 ZINC000585270532 491720863 /nfs/dbraw/zinc/72/08/63/491720863.db2.gz LWIGIVDICLVKQG-RTBURBONSA-N 1 0 366.458 0.536 40 0 FCABRO CC(C)[N@H+](CCO)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585284348 491721301 /nfs/dbraw/zinc/72/13/01/491721301.db2.gz KAHXNZYNTPZQTH-FUHWJXTLSA-N 1 0 370.877 0.981 40 0 FCABRO O[C@H]1CC[N@H+](CC2(O)CCOCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585288160 491721323 /nfs/dbraw/zinc/72/13/23/491721323.db2.gz YDSVINNZPPNYBG-WMZOPIPTSA-N 1 0 355.406 0.544 40 0 FCABRO COc1cc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)ccc1OCC(N)=O ZINC000257233023 533824280 /nfs/dbraw/zinc/82/42/80/533824280.db2.gz GNKIIQIEUFKRSW-WMZOPIPTSA-N 1 0 350.415 0.675 40 0 FCABRO CC(=O)N1CCC(Cc2cnc(CNC(=O)[C@H]3CCC[N@H+]3C)cn2)CC1 ZINC000257203740 526538649 /nfs/dbraw/zinc/53/86/49/526538649.db2.gz ARLVMCZMPJOZTN-GOSISDBHSA-N 1 0 359.474 0.988 40 0 FCABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(S(=O)(=O)N(C)C)C2 ZINC000257215692 526908005 /nfs/dbraw/zinc/90/80/05/526908005.db2.gz CRFXEDRUTKXUCS-ZACQAIPSSA-N 1 0 366.487 0.334 40 0 FCABRO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)n1cncn1 ZINC000257265227 527530303 /nfs/dbraw/zinc/53/03/03/527530303.db2.gz LXUWYYYYRCJRBI-RBSFLKMASA-N 1 0 351.451 0.134 40 0 FCABRO CCn1nc2n(c(=O)c1=O)C[C@@H]1CC[N@@H+](Cc3cccnc3OC)C[C@H]21 ZINC000306140291 210056326 /nfs/dbraw/zinc/05/63/26/210056326.db2.gz UPABOSOATSDCAJ-JSGCOSHPSA-N 1 0 357.414 0.448 40 0 FCABRO C[N@@H+]1C[C@H](C(=O)NCc2ccco2)OC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306131486 210054023 /nfs/dbraw/zinc/05/40/23/210054023.db2.gz KGBZTGOCBXAHBS-MRXNPFEDSA-N 1 0 361.442 0.998 40 0 FCABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306139410 210055406 /nfs/dbraw/zinc/05/54/06/210055406.db2.gz SWOHFBWQSCKRHO-HOCLYGCPSA-N 1 0 353.426 0.829 40 0 FCABRO Cc1cc(CN2Cc3cncn3[C@H](C(=O)N3CC(F)(F)C3)C2)n(C)n1 ZINC000306140424 210055255 /nfs/dbraw/zinc/05/52/55/210055255.db2.gz UTJCJJLFMDKJML-AWEZNQCLSA-N 1 0 350.373 0.959 40 0 FCABRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCn2ncnc2[C@H]3NC(=O)C2CC2)cn1 ZINC000306124778 210049179 /nfs/dbraw/zinc/04/91/79/210049179.db2.gz BZHFUKZXAYUEQR-QAPCUYQASA-N 1 0 355.446 0.875 40 0 FCABRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCn2ncnc2[C@@H]3NC(=O)C2CC2)cn1 ZINC000306124779 210049100 /nfs/dbraw/zinc/04/91/00/210049100.db2.gz BZHFUKZXAYUEQR-YJBOKZPZSA-N 1 0 355.446 0.875 40 0 FCABRO O=C(CCCN1C(=O)CNC1=O)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257213979 223020991 /nfs/dbraw/zinc/02/09/91/223020991.db2.gz CJXRYJIEEKRSAR-GOSISDBHSA-N 1 0 366.462 0.158 40 0 FCABRO O=C(C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)N1CCNC1=O ZINC000257232732 223031260 /nfs/dbraw/zinc/03/12/60/223031260.db2.gz GMDLCHVONGUKDH-HNAYVOBHSA-N 1 0 356.426 0.677 40 0 FCABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1 ZINC000257331469 223068683 /nfs/dbraw/zinc/06/86/83/223068683.db2.gz XSZSXFPNQKMLBZ-INIZCTEOSA-N 1 0 354.476 0.857 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020674589 211294047 /nfs/dbraw/zinc/29/40/47/211294047.db2.gz DXYCHLKVKHZTMJ-JKSUJKDBSA-N 1 0 372.425 0.475 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000020636858 211292006 /nfs/dbraw/zinc/29/20/06/211292006.db2.gz WIYSVAUOZLWRKP-HUUCEWRRSA-N 1 0 358.398 0.167 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccccc1 ZINC000020636866 211290724 /nfs/dbraw/zinc/29/07/24/211290724.db2.gz WIYSVAUOZLWRKP-GJZGRUSLSA-N 1 0 358.398 0.167 40 0 FCABRO CN(C)C(=O)Cn1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1=O ZINC000019749963 211252991 /nfs/dbraw/zinc/25/29/91/211252991.db2.gz IKFHEBNHDINFTO-QGZVFWFLSA-N 1 0 370.453 0.969 40 0 FCABRO C[NH2+][C@H]1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC[C@]1(C)O ZINC000257297913 533010772 /nfs/dbraw/zinc/01/07/72/533010772.db2.gz RJIAJICUNYGECA-RDJZCZTQSA-N 1 0 351.447 0.954 40 0 FCABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1cncn1C)CC2 ZINC000257308443 533053995 /nfs/dbraw/zinc/05/39/95/533053995.db2.gz TWRVCQAMKZACQH-QGZVFWFLSA-N 1 0 350.463 0.632 40 0 FCABRO NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001578616 210359980 /nfs/dbraw/zinc/35/99/80/210359980.db2.gz MOZMMGVADQTNEZ-SJLPKXTDSA-N 1 0 366.421 0.956 40 0 FCABRO CC1CC[NH+]([C@H]2[C@@H](CNC(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465987 220328164 /nfs/dbraw/zinc/32/81/64/220328164.db2.gz QEOPVZBFHCJSLM-BFJAYTPKSA-N 1 0 354.472 0.699 40 0 biogenic,in-vitro FCABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)C1CCOCC1)C2 ZINC000096060692 222007407 /nfs/dbraw/zinc/00/74/07/222007407.db2.gz PWHUAKTXCULFLJ-CQSZACIVSA-N 1 0 351.451 0.246 40 0 FCABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(S(C)(=O)=O)CC2 ZINC000096143608 222047960 /nfs/dbraw/zinc/04/79/60/222047960.db2.gz XCWCPMKVTBPJOQ-LSDHHAIUSA-N 1 0 357.520 0.847 40 0 FCABRO C[NH+]1CCN(c2ccc3ccc(C(=O)NCCN4CCOCC4)cn32)CC1 ZINC000096155884 222056907 /nfs/dbraw/zinc/05/69/07/222056907.db2.gz AUUPWZYVRHJMDA-UHFFFAOYSA-N 1 0 371.485 0.753 40 0 FCABRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197563 222073594 /nfs/dbraw/zinc/07/35/94/222073594.db2.gz JIVKPLFUKRNPAB-UHFFFAOYSA-N 1 0 354.476 0.781 40 0 FCABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228455 222089531 /nfs/dbraw/zinc/08/95/31/222089531.db2.gz POUIBKNFXSRTBP-APWZRJJASA-N 1 0 359.474 0.735 40 0 FCABRO Cc1cc(N2CCN(C)CC2)nc(SCC(=O)NCCC[NH+](C)C)n1 ZINC000006189354 487494137 /nfs/dbraw/zinc/49/41/37/487494137.db2.gz QEBDDOLKCNNWML-UHFFFAOYSA-N 1 0 366.535 0.697 40 0 FCABRO C[NH+](C)CCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000012085661 487547834 /nfs/dbraw/zinc/54/78/34/487547834.db2.gz XOQOFJCPQDUGJH-IBGZPJMESA-N 1 0 374.441 0.195 40 0 FCABRO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000038755559 487808302 /nfs/dbraw/zinc/80/83/02/487808302.db2.gz GXIGVIBYTREGMK-MRXNPFEDSA-N 1 0 374.551 0.887 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)CC1 ZINC000077263853 488409669 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0 357.458 0.785 40 0 FCABRO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)cc1 ZINC000585273912 491720657 /nfs/dbraw/zinc/72/06/57/491720657.db2.gz SVZWDPMSOREECA-BHIYHBOVSA-N 1 0 366.458 0.534 40 0 FCABRO C[NH+](C)CC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585284552 491721159 /nfs/dbraw/zinc/72/11/59/491721159.db2.gz TXLHIEOXQLPHIQ-KRWDZBQOSA-N 1 0 353.394 0.239 40 0 FCABRO CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc(OCC[NH+](C)C)c2)[C@@H]1O ZINC000585287055 491721176 /nfs/dbraw/zinc/72/11/76/491721176.db2.gz RWHKFGNJYMGNHD-ZACQAIPSSA-N 1 0 352.431 0.474 40 0 FCABRO Cc1ccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)cc1 ZINC000585284603 491721267 /nfs/dbraw/zinc/72/12/67/491721267.db2.gz UBQQNVKQHSRFLB-ROUUACIJSA-N 1 0 359.470 0.868 40 0 FCABRO C[NH+](C)CC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585287650 491721382 /nfs/dbraw/zinc/72/13/82/491721382.db2.gz ZWSZOAZKOZNTDV-QGZVFWFLSA-N 1 0 369.849 0.753 40 0 FCABRO CNC(=O)[C@@]1(C)C[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585287621 491721422 /nfs/dbraw/zinc/72/14/22/491721422.db2.gz ZQNZOQOPMCMFLG-GOSISDBHSA-N 1 0 365.449 0.994 40 0 FCABRO NC(=O)C[N@@H+]1CCCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 ZINC000585291185 491721632 /nfs/dbraw/zinc/72/16/32/491721632.db2.gz MYIUHQKPVHRPEN-KCCJJVRFSA-N 1 0 364.490 0.063 40 0 FCABRO COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381898 492059529 /nfs/dbraw/zinc/05/95/29/492059529.db2.gz UFRBMHSKBKSCRA-OAHLLOKOSA-N 1 0 373.444 0.808 40 0 biogenic,in-vitro FCABRO C[NH+](C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020482147 521784530 /nfs/dbraw/zinc/78/45/30/521784530.db2.gz APQUBRIDCCXIFN-UHFFFAOYSA-N 1 0 355.460 0.140 40 0 FCABRO CC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H](NC(=O)c3ccon3)[C@H]2O)CC1 ZINC000257266180 526633097 /nfs/dbraw/zinc/63/30/97/526633097.db2.gz MBXDDIGEEPZWTD-FVQBIDKESA-N 1 0 350.419 0.241 40 0 FCABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CNC(C)=O)CC1 ZINC000257314505 528862227 /nfs/dbraw/zinc/86/22/27/528862227.db2.gz UXGVFGQOFZXZQH-IBGZPJMESA-N 1 0 362.474 0.783 40 0 FCABRO C[NH+](C)CCN1CC[C@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O ZINC000585093492 546524280 /nfs/dbraw/zinc/52/42/80/546524280.db2.gz ZQRKUCXTPNXNPO-ZUEPYMLJSA-N 1 0 359.417 0.405 40 0 FCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2ccc3c(c2)OCO3)nn1 ZINC001549159248 1267839166 /nfs/dbraw/zinc/83/91/66/1267839166.db2.gz SIJCNBVIIDTDAV-IAOVAPTHSA-N 1 0 362.386 0.071 40 0 FCABRO O[C@@H]1[C@@H](n2cc(Cl)cn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1F ZINC000952844946 836573256 /nfs/dbraw/zinc/57/32/56/836573256.db2.gz WAHXZVPDHXJRQB-ARILJUKYSA-N 1 0 354.769 0.886 40 0 biogenic,in-vitro FCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000257290604 529920432 /nfs/dbraw/zinc/92/04/32/529920432.db2.gz QDOGWJKNDMAWIG-WCVJEAGWSA-N 1 0 360.414 0.013 40 0 FCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257320893 529951137 /nfs/dbraw/zinc/95/11/37/529951137.db2.gz VZBSQMBVQFYIAS-QGZVFWFLSA-N 1 0 370.457 0.673 40 0 FCABRO CCn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)cn1 ZINC000306130952 210051990 /nfs/dbraw/zinc/05/19/90/210051990.db2.gz JTHCCUZCVCGYPZ-ZMSDIMECSA-N 1 0 358.446 0.513 40 0 FCABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cc1 ZINC000306126793 210048950 /nfs/dbraw/zinc/04/89/50/210048950.db2.gz FFKXDDFZBFKRKI-GOSISDBHSA-N 1 0 358.398 0.126 40 0 FCABRO Cc1ccc(C)c(Cn2c(N3CC[NH2+]CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004945238 219630045 /nfs/dbraw/zinc/63/00/45/219630045.db2.gz FOIMFDDMVYQRNY-UHFFFAOYSA-N 1 0 368.441 0.498 40 0 FCABRO CN(C)Cc1c[nH]c([C@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248745 223036553 /nfs/dbraw/zinc/03/65/53/223036553.db2.gz JEZWBYOECATWFR-ZDUSSCGKSA-N 1 0 355.508 0.685 40 0 FCABRO Cn1cc(C(=O)N2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1=O ZINC000257258505 223039635 /nfs/dbraw/zinc/03/96/35/223039635.db2.gz KUHKDGOUIHJQLF-INIZCTEOSA-N 1 0 355.385 0.693 40 0 FCABRO O=C(CN1CCCC1=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257313477 223061559 /nfs/dbraw/zinc/06/15/59/223061559.db2.gz USQZRTMEYSJXHS-FQEVSTJZSA-N 1 0 357.454 0.631 40 0 FCABRO CN(C)S(=O)(=O)N1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019583296 211238241 /nfs/dbraw/zinc/23/82/41/211238241.db2.gz WGNNKFPFCAYQCT-ZDUSSCGKSA-N 1 0 366.491 0.589 40 0 FCABRO CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)nc(NC)c2C1 ZINC000019711586 211246486 /nfs/dbraw/zinc/24/64/86/211246486.db2.gz AUSFURWRHFPTBE-AWEZNQCLSA-N 1 0 368.507 0.888 40 0 FCABRO CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000079432632 208087338 /nfs/dbraw/zinc/08/73/38/208087338.db2.gz LDMCUDWKBRSPED-MRXNPFEDSA-N 1 0 351.495 0.467 40 0 FCABRO O=C(c1cccnc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330411 132282879 /nfs/dbraw/zinc/28/28/79/132282879.db2.gz DVGRTSSIOALGJC-UHFFFAOYSA-N 1 0 354.414 0.671 40 0 FCABRO O=C(c1ccncc1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224321201 132283169 /nfs/dbraw/zinc/28/31/69/132283169.db2.gz AZIXOQLOCJQHCF-UHFFFAOYSA-N 1 0 354.414 0.671 40 0 FCABRO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036554 221994454 /nfs/dbraw/zinc/99/44/54/221994454.db2.gz KQJFGASRHWUDCK-SFHVURJKSA-N 1 0 369.531 0.992 40 0 FCABRO C[N@@H+](Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(S(C)(=O)=O)C2)O1 ZINC000096063515 222008790 /nfs/dbraw/zinc/00/87/90/222008790.db2.gz KZMMMDYVLQOXMA-HZPDHXFCSA-N 1 0 358.460 0.921 40 0 FCABRO C[NH+](C)CC(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096078344 222014367 /nfs/dbraw/zinc/01/43/67/222014367.db2.gz RMJADMICGFVKMJ-MRXNPFEDSA-N 1 0 353.444 0.271 40 0 FCABRO O=C(c1cnn2cccnc12)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096076634 222014482 /nfs/dbraw/zinc/01/44/82/222014482.db2.gz OIZTUKHWGJKGLH-IBGZPJMESA-N 1 0 371.441 0.683 40 0 FCABRO CN(C)C(=O)COC[C@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096209418 222079391 /nfs/dbraw/zinc/07/93/91/222079391.db2.gz NGPHAJYBMZMPLT-MRXNPFEDSA-N 1 0 350.463 0.896 40 0 FCABRO CN1CC[NH+](C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228453 222089212 /nfs/dbraw/zinc/08/92/12/222089212.db2.gz POUIBKNFXSRTBP-VQIMIIECSA-N 1 0 359.474 0.735 40 0 FCABRO Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@@H](O)C[C@H]1C[NH2+]Cc1ccccc1 ZINC000257319707 229282733 /nfs/dbraw/zinc/28/27/33/229282733.db2.gz VTSCRHACJGYDHX-SDADXPQNSA-N 1 0 354.414 0.481 40 0 FCABRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+](C)C ZINC000408704194 230014290 /nfs/dbraw/zinc/01/42/90/230014290.db2.gz YIYANYUQRODCEO-UHFFFAOYSA-N 1 0 369.487 0.697 40 0 FCABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000003838651 487472666 /nfs/dbraw/zinc/47/26/66/487472666.db2.gz RFWDZGQDCGMZRD-OAGGEKHMSA-N 1 0 370.457 0.813 40 0 biogenic,in-vitro FCABRO C[NH+](C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cncnc3)c12 ZINC000005439329 487489124 /nfs/dbraw/zinc/48/91/24/487489124.db2.gz CYILRMNSPHLFMP-UONOGXRCSA-N 1 0 353.426 0.813 40 0 biogenic,in-vitro FCABRO 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350.419 0.654 40 0 FCABRO O[C@H]1C[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000585270038 491720789 /nfs/dbraw/zinc/72/07/89/491720789.db2.gz CJBCQQKLPQFOSQ-PMACEKPBSA-N 1 0 372.469 0.839 40 0 FCABRO CC(C)[N@H+](CCO)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585284600 491721499 /nfs/dbraw/zinc/72/14/99/491721499.db2.gz MBZCFHAFHGXETQ-AZUAARDMSA-N 1 0 364.486 0.646 40 0 FCABRO CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/C[NH+](C)C)CC2)OC[C@]1(C)O ZINC000585290108 491721549 /nfs/dbraw/zinc/72/15/49/491721549.db2.gz SFLBTEUDKMKWAR-KAWBWNIXSA-N 1 0 353.463 0.141 40 0 FCABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 ZINC000604381733 492059542 /nfs/dbraw/zinc/05/95/42/492059542.db2.gz MAFJTZXTPXJDPE-VXXGZENSSA-N 1 0 374.481 0.946 40 0 biogenic,in-vitro FCABRO CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C3CC[NH+](C)CC3)C2)C1 ZINC000604382009 492059592 /nfs/dbraw/zinc/05/95/92/492059592.db2.gz YTQKRCJINRJIDT-QGZVFWFLSA-N 1 0 350.507 0.334 40 0 biogenic,in-vitro FCABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+](C)C ZINC000224160538 518178671 /nfs/dbraw/zinc/17/86/71/518178671.db2.gz HZNQEQDVDIUHOT-CYBMUJFWSA-N 1 0 357.476 0.918 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801521 521279710 /nfs/dbraw/zinc/27/97/10/521279710.db2.gz DYUHJOYMCBUMHL-HZPDHXFCSA-N 1 0 372.425 0.475 40 0 FCABRO Cn1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1=O ZINC000257258506 534733206 /nfs/dbraw/zinc/73/32/06/534733206.db2.gz KUHKDGOUIHJQLF-MRXNPFEDSA-N 1 0 355.385 0.693 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cscn3)C2)CC1 ZINC000257307486 526702336 /nfs/dbraw/zinc/70/23/36/526702336.db2.gz SYVAXFZGAPDQQE-MRXNPFEDSA-N 1 0 352.460 0.321 40 0 FCABRO CC(=O)Nc1cccc([C@@H]2CN(C(=O)C[NH3+])C[C@]23CCCCC(=O)N3)c1 ZINC000257298720 527079886 /nfs/dbraw/zinc/07/98/86/527079886.db2.gz RMZMUECEFZCZOJ-QFBILLFUSA-N 1 0 358.442 0.959 40 0 FCABRO CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1C[NH+]1CCN(C)CC1 ZINC001772594946 1179981905 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SYDITXDPCRNWJJ-HNNXBMFYSA-N 1 0 357.476 0.918 40 0 FCABRO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN21 ZINC000012530387 291028193 /nfs/dbraw/zinc/02/81/93/291028193.db2.gz OFFANBXDGLSLIX-BBWFWOEESA-N 1 0 372.469 0.663 40 0 biogenic,in-vitro FCABRO CN(C)S(=O)(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)CC1 ZINC000257217157 223024029 /nfs/dbraw/zinc/02/40/29/223024029.db2.gz CXTYCDWASFMYQL-IRXDYDNUSA-N 1 0 353.488 0.676 40 0 FCABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000257223287 223026001 /nfs/dbraw/zinc/02/60/01/223026001.db2.gz DWQZZVHSIGJVKZ-JKSUJKDBSA-N 1 0 353.463 0.195 40 0 FCABRO CCn1nc(C(=O)N2CCC3(CC2)C[C@H]([NH2+]C)[C@@](C)(O)CO3)cc1C ZINC000257224039 223026804 /nfs/dbraw/zinc/02/68/04/223026804.db2.gz FAAYOZCLNRANIC-RDJZCZTQSA-N 1 0 350.463 0.946 40 0 FCABRO O=C(CCn1cnnn1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257232835 223031000 /nfs/dbraw/zinc/03/10/00/223031000.db2.gz GMPZZYQHXBPLHG-SFHVURJKSA-N 1 0 356.430 0.085 40 0 FCABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 ZINC000257289236 223052882 /nfs/dbraw/zinc/05/28/82/223052882.db2.gz PXRWPWHXZQZYKK-INIZCTEOSA-N 1 0 354.476 0.857 40 0 FCABRO Cn1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+](C)C)cn1 ZINC000257306558 223059535 /nfs/dbraw/zinc/05/95/35/223059535.db2.gz SUTUCDVXGKASOW-NCOADZHNSA-N 1 0 362.405 0.800 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020674595 211293081 /nfs/dbraw/zinc/29/30/81/211293081.db2.gz DXYCHLKVKHZTMJ-HOTGVXAUSA-N 1 0 372.425 0.475 40 0 FCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)CCCn3cccn3)C[C@@H]2C[C@@]1(C)O ZINC000257202618 532973748 /nfs/dbraw/zinc/97/37/48/532973748.db2.gz AMQIQOKGCXWUTD-BVIKNXMNSA-N 1 0 350.463 0.640 40 0 FCABRO COc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1 ZINC000257227217 533571125 /nfs/dbraw/zinc/57/11/25/533571125.db2.gz FODXONUFJZHBDE-MJGOQNOKSA-N 1 0 357.410 0.428 40 0 FCABRO CS(=O)(=O)N1C[C@@H](C(=O)NCCC[NH+]2CCCC2)Oc2ccccc21 ZINC000044913518 136121748 /nfs/dbraw/zinc/12/17/48/136121748.db2.gz HJMJQBLHDAIHPY-INIZCTEOSA-N 1 0 367.471 0.816 40 0 FCABRO C[NH+](C)CC(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096078345 222013635 /nfs/dbraw/zinc/01/36/35/222013635.db2.gz RMJADMICGFVKMJ-INIZCTEOSA-N 1 0 353.444 0.271 40 0 FCABRO O=C(c1cnn2cccnc12)N1CCO[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096076633 222014286 /nfs/dbraw/zinc/01/42/86/222014286.db2.gz OIZTUKHWGJKGLH-LJQANCHMSA-N 1 0 371.441 0.683 40 0 FCABRO C[NH+](C)CCN1[C@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O ZINC000096143079 222047516 /nfs/dbraw/zinc/04/75/16/222047516.db2.gz JZFJLRSDMSWBTD-HNNXBMFYSA-N 1 0 373.500 0.113 40 0 FCABRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+](C)C ZINC000010111679 487531949 /nfs/dbraw/zinc/53/19/49/487531949.db2.gz CZJCFKOFBPHTRZ-UHFFFAOYSA-N 1 0 371.459 0.008 40 0 FCABRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)ccn2)CC1 ZINC000019590090 487605680 /nfs/dbraw/zinc/60/56/80/487605680.db2.gz MRTXTYKHTICXFG-UHFFFAOYSA-N 1 0 366.425 0.933 40 0 FCABRO CC(=O)N[C@]12CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]1C[NH2+]CC2 ZINC000019713623 487606496 /nfs/dbraw/zinc/60/64/96/487606496.db2.gz MRXGOGZULHUHLU-GDBMZVCRSA-N 1 0 355.435 0.456 40 0 FCABRO O[C@@H]1[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CC1 ZINC000020463852 487610778 /nfs/dbraw/zinc/61/07/78/487610778.db2.gz PXOUUNNABBKRFO-LTFPLMDUSA-N 1 0 359.470 0.661 40 0 biogenic,in-vitro FCABRO O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@@H]2CCCC[C@@H]21 ZINC000032223559 487769192 /nfs/dbraw/zinc/76/91/92/487769192.db2.gz GHBJUKUERZIRHU-CVEARBPZSA-N 1 0 367.470 0.657 40 0 FCABRO C[NH+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000047157577 488016225 /nfs/dbraw/zinc/01/62/25/488016225.db2.gz YQJQHQUOMGLCQX-UHFFFAOYSA-N 1 0 355.460 0.389 40 0 FCABRO CN1C[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)CC1=O ZINC000072397266 488379767 /nfs/dbraw/zinc/37/97/67/488379767.db2.gz SNPQJXQRTZZUMY-ZIAGYGMSSA-N 1 0 357.458 0.649 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1 ZINC000077264187 488409721 /nfs/dbraw/zinc/40/97/21/488409721.db2.gz JEXGHJGKHJLHDO-FMKPAKJESA-N 1 0 367.471 0.207 40 0 biogenic,in-vitro FCABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O)c1ccccc1 ZINC000077264688 488409749 /nfs/dbraw/zinc/40/97/49/488409749.db2.gz HKMJUTNTNMVGOB-OAGGEKHMSA-N 1 0 368.480 0.945 40 0 biogenic,in-vitro FCABRO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000107711857 488517894 /nfs/dbraw/zinc/51/78/94/488517894.db2.gz RARLMBGTZCGAGK-WMZOPIPTSA-N 1 0 350.463 0.896 40 0 FCABRO O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@@H]2CCCC[C@H]21 ZINC000137072927 488679415 /nfs/dbraw/zinc/67/94/15/488679415.db2.gz GHBJUKUERZIRHU-HZPDHXFCSA-N 1 0 367.470 0.657 40 0 FCABRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(-n4cnnc4)cc3)CC2)C1=O ZINC000329188773 488979232 /nfs/dbraw/zinc/97/92/32/488979232.db2.gz QMSSLCODOQFMMS-QGZVFWFLSA-N 1 0 368.441 0.692 40 0 FCABRO 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ZINC000604381019 492059718 /nfs/dbraw/zinc/05/97/18/492059718.db2.gz BWVDUXVVTIFWIW-VLFNSIGCSA-N 1 0 372.465 0.698 40 0 biogenic,in-vitro FCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cscn3)C2)CC1 ZINC000257307485 526701862 /nfs/dbraw/zinc/70/18/62/526701862.db2.gz SYVAXFZGAPDQQE-INIZCTEOSA-N 1 0 352.460 0.321 40 0 FCABRO O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008254273 571227077 /nfs/dbraw/zinc/22/70/77/571227077.db2.gz PIFXQERXDOOUPF-OIISXLGYSA-N 1 0 356.430 0.192 40 0 biogenic,in-vitro FCABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001534640179 1267266932 /nfs/dbraw/zinc/26/69/32/1267266932.db2.gz PLKMNYLADJASLQ-HSFUPAIVSA-N 1 0 369.381 0.749 40 0 FCABRO O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1[NH2+]Cc1ccccc1 ZINC001549161512 1267840176 /nfs/dbraw/zinc/84/01/76/1267840176.db2.gz LNJGIMUOXGZMOE-IPMKNSEASA-N 1 0 373.457 0.028 40 0 FCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccn1 ZINC000257227124 529920428 /nfs/dbraw/zinc/92/04/28/529920428.db2.gz FNUIGUAMNPSAAJ-BDXSIMOUSA-N 1 0 372.425 0.080 40 0 FCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1 ZINC000257251516 529920574 /nfs/dbraw/zinc/92/05/74/529920574.db2.gz JRBPLKCFTZDJSR-YRXWBPOGSA-N 1 0 371.437 0.685 40 0 FCABRO CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000257216623 529953893 /nfs/dbraw/zinc/95/38/93/529953893.db2.gz CVKGNTCOZLRYNR-CQSZACIVSA-N 1 0 373.457 0.810 40 0 FCABRO CC1(C)O[C@H]2O[C@H]3[C@@H](O[C@@H](c4ccccc4)O[C@H]3C[NH2+]CCO)[C@@H]2O1 ZINC000004777511 219606973 /nfs/dbraw/zinc/60/69/73/219606973.db2.gz WNXSLSQRNSYQQJ-QEOLJSOUSA-N 1 0 351.399 0.928 40 0 FCABRO O=C(CN1CCCC1=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257313478 223062073 /nfs/dbraw/zinc/06/20/73/223062073.db2.gz USQZRTMEYSJXHS-HXUWFJFHSA-N 1 0 357.454 0.631 40 0 FCABRO [NH3+]Cc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257321188 223064355 /nfs/dbraw/zinc/06/43/55/223064355.db2.gz WANFLYFVPUYTKP-DOTOQJQBSA-N 1 0 351.410 0.864 40 0 FCABRO CCn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)cn1 ZINC000306131032 223108981 /nfs/dbraw/zinc/10/89/81/223108981.db2.gz JVDLSIZXVNOOEL-ZMSDIMECSA-N 1 0 356.430 0.570 40 0 FCABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000257219635 533054032 /nfs/dbraw/zinc/05/40/32/533054032.db2.gz DHMYKLHOCGQNRC-QGZVFWFLSA-N 1 0 350.463 0.930 40 0 FCABRO CC(C)(C)N1C[C@@H](C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)CC1=O ZINC000019659819 220283902 /nfs/dbraw/zinc/28/39/02/220283902.db2.gz ZWSBURNDNCVPLH-AWEZNQCLSA-N 1 0 352.479 0.337 40 0 FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000020636861 220337594 /nfs/dbraw/zinc/33/75/94/220337594.db2.gz WIYSVAUOZLWRKP-LSDHHAIUSA-N 1 0 358.398 0.167 40 0 FCABRO CCCS(=O)(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224333780 132283201 /nfs/dbraw/zinc/28/32/01/132283201.db2.gz KEYQTCZZBQUIGT-UHFFFAOYSA-N 1 0 355.464 0.175 40 0 FCABRO COCCNC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)CN(C)C(=O)C1 ZINC000096113441 222030990 /nfs/dbraw/zinc/03/09/90/222030990.db2.gz YMGIRXIZHWONJS-IAGOWNOFSA-N 1 0 362.474 0.951 40 0 biogenic,in-vitro FCABRO C([C@@H]1CC[C@]2(COCC[N@H+](CC3CCOCC3)C2)O1)N1CCOCC1 ZINC000096052371 222003877 /nfs/dbraw/zinc/00/38/77/222003877.db2.gz WOAXGXKXARUTDS-OALUTQOASA-N 1 0 354.491 0.995 40 0 FCABRO CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)CC1 ZINC000096057512 222005910 /nfs/dbraw/zinc/00/59/10/222005910.db2.gz NMEAZSCRZZPGBX-KZNAEPCWSA-N 1 0 351.491 0.809 40 0 FCABRO C[NH+](C)CCN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1=O ZINC000096080625 222017458 /nfs/dbraw/zinc/01/74/58/222017458.db2.gz PCPKRLDJSMBRCR-CVEARBPZSA-N 1 0 351.472 0.468 40 0 FCABRO C[NH+](C)CCOCc1nnn2c1CN(C(=O)C1CCOCC1)CCC2 ZINC000096084350 222018108 /nfs/dbraw/zinc/01/81/08/222018108.db2.gz JLLLRHZWHYIIBT-UHFFFAOYSA-N 1 0 351.451 0.515 40 0 FCABRO COCC[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn32)C1 ZINC000096267485 222106717 /nfs/dbraw/zinc/10/67/17/222106717.db2.gz RUIVYCGBUXSHQG-HNNXBMFYSA-N 1 0 372.473 0.553 40 0 FCABRO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197557 222073675 /nfs/dbraw/zinc/07/36/75/222073675.db2.gz BASWISVBQFDIOH-UHFFFAOYSA-N 1 0 354.476 0.783 40 0 FCABRO O=C(NCC[NH+]1CCCC1)C1=NO[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096225576 222087266 /nfs/dbraw/zinc/08/72/66/222087266.db2.gz AMTGXHFHUZTOKU-KRWDZBQOSA-N 1 0 362.409 0.553 40 0 FCABRO Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+](C)C)C2)cnn1C ZINC000002732440 487470435 /nfs/dbraw/zinc/47/04/35/487470435.db2.gz WWFHPCDONOQWJK-CQSZACIVSA-N 1 0 371.507 0.197 40 0 FCABRO Nc1cc(N)[nH+]c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000003605740 487472356 /nfs/dbraw/zinc/47/23/56/487472356.db2.gz NFPZASHSMULCSP-UHFFFAOYSA-N 1 0 362.415 0.311 40 0 FCABRO Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000019698004 487605200 /nfs/dbraw/zinc/60/52/00/487605200.db2.gz HSEUTFUILXERIT-OAHLLOKOSA-N 1 0 353.492 0.743 40 0 FCABRO CN1CCN(c2nccc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590147 487605510 /nfs/dbraw/zinc/60/55/10/487605510.db2.gz XYNWIBFARVLTKC-ROUUACIJSA-N 1 0 360.506 0.259 40 0 FCABRO COc1ccccc1S(=O)(=O)N1C[C@@H](NC(C)=O)CC12CC[NH2+]CC2 ZINC000019704135 487605652 /nfs/dbraw/zinc/60/56/52/487605652.db2.gz JCKCOISEJLNQLN-AWEZNQCLSA-N 1 0 367.471 0.717 40 0 FCABRO C[NH+](C)CC(=O)N1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019756893 487606705 /nfs/dbraw/zinc/60/67/05/487606705.db2.gz GAVVFOBUMKHGAE-CQSZACIVSA-N 1 0 370.453 0.834 40 0 FCABRO CN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CC[NH2+]CC2)CC1 ZINC000072210790 488379352 /nfs/dbraw/zinc/37/93/52/488379352.db2.gz GNAADYNAHVDGJE-UHFFFAOYSA-N 1 0 359.883 0.081 40 0 FCABRO CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(CC[NH3+])[C@@H]2CO)cc1 ZINC000072321368 488379602 /nfs/dbraw/zinc/37/96/02/488379602.db2.gz MTKGCYJKKONNPS-GDBMZVCRSA-N 1 0 350.419 0.436 40 0 biogenic,in-vitro FCABRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@H]2O)cc1 ZINC000077264888 488409899 /nfs/dbraw/zinc/40/98/99/488409899.db2.gz GRMBGUXVASNDPA-ZACQAIPSSA-N 1 0 364.446 0.571 40 0 biogenic,in-vitro FCABRO O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000080155114 488434052 /nfs/dbraw/zinc/43/40/52/488434052.db2.gz INKOQSPFQPMKFU-KRWDZBQOSA-N 1 0 362.478 0.917 40 0 FCABRO O=C([C@@H]1C[C@@H]2CCN(CC[NH+]3CCCCC3)C[C@H]2O1)N1CCOCC1 ZINC000096042947 488488396 /nfs/dbraw/zinc/48/83/96/488488396.db2.gz UYMKMDPSQKQUPC-OKZBNKHCSA-N 1 0 351.491 0.811 40 0 FCABRO C[C@]1(N(CC[NH3+])S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575424348 491553957 /nfs/dbraw/zinc/55/39/57/491553957.db2.gz KAUKNZBKOAJNEQ-ZDUSSCGKSA-N 1 0 366.892 0.867 40 0 FCABRO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000585269629 491720359 /nfs/dbraw/zinc/72/03/59/491720359.db2.gz DMAIRSBFSQVHDV-PMACEKPBSA-N 1 0 363.502 0.894 40 0 FCABRO CNC(=O)[C@]1(C)C[N@H+](CC2(O)CCN(c3ccccc3F)CC2)CCO1 ZINC000585287554 491721220 /nfs/dbraw/zinc/72/12/20/491721220.db2.gz YUDWKIMQNPCOKZ-SFHVURJKSA-N 1 0 365.449 0.994 40 0 FCABRO O=C(C[NH+]1CCCCC1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257258975 534522967 /nfs/dbraw/zinc/52/29/67/534522967.db2.gz KWHOFSRTSVSTLN-HOTGVXAUSA-N 1 0 351.447 0.090 40 0 FCABRO CC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H](NC(=O)c3cnco3)[C@H]2O)CC1 ZINC000257252938 526633580 /nfs/dbraw/zinc/63/35/80/526633580.db2.gz JWTXMALWPPSQOQ-IIAWOOMASA-N 1 0 350.419 0.241 40 0 FCABRO CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21 ZINC000306125945 528186416 /nfs/dbraw/zinc/18/64/16/528186416.db2.gz DGQJKNVNCFIHMR-AWEZNQCLSA-N 1 0 352.464 0.704 40 0 FCABRO CC(=O)N1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3nc(C)cc3C)[C@H]2O)CC1 ZINC000952844738 1206207933 /nfs/dbraw/zinc/20/79/33/1206207933.db2.gz HYJQBKKNFUHFEH-HSFUPAIVSA-N 1 0 364.446 0.126 40 0 biogenic,in-vitro FCABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)CC1 ZINC000257267826 529773199 /nfs/dbraw/zinc/77/31/99/529773199.db2.gz MIXOZSHZVJRTCI-INIZCTEOSA-N 1 0 354.838 0.265 40 0 FCABRO CN1CC[NH+]([C@H]2CCN(C(=O)CC3(O)CCCCC3)CC[C@@H]2O)CC1 ZINC000257331598 529776419 /nfs/dbraw/zinc/77/64/19/529776419.db2.gz XTNUTFAQEPSNRR-IRXDYDNUSA-N 1 0 353.507 0.671 40 0 FCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cnco1 ZINC000257329159 529920467 /nfs/dbraw/zinc/92/04/67/529920467.db2.gz XITDBVUCQLZIAA-JHNDHUHGSA-N 1 0 361.398 0.278 40 0 FCABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@@H]3C2)cn1 ZINC000306142427 223113359 /nfs/dbraw/zinc/11/33/59/223113359.db2.gz WZEKLWVTUAKFEG-ZIAGYGMSSA-N 1 0 355.446 0.598 40 0 FCABRO COc1ccc(C)cc1N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O ZINC000013669258 220081850 /nfs/dbraw/zinc/08/18/50/220081850.db2.gz CRMVVVMCNCLXFA-UHFFFAOYSA-N 1 0 357.476 0.838 40 0 FCABRO CN1CC[NH+](CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1 ZINC000019364786 220253472 /nfs/dbraw/zinc/25/34/72/220253472.db2.gz HVAVMBNEEOXCRG-UHFFFAOYSA-N 1 0 371.485 0.226 40 0 FCABRO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](C1CCN(C)CC1)CC2 ZINC000257227910 533054692 /nfs/dbraw/zinc/05/46/92/533054692.db2.gz FRNMZOQBORRCLP-SFHVURJKSA-N 1 0 353.507 0.793 40 0 FCABRO CC1CCC(CNC(=O)CN2CCNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000019660362 220282955 /nfs/dbraw/zinc/28/29/55/220282955.db2.gz WOFHQRUTEADMLA-UHFFFAOYSA-N 1 0 350.507 0.969 40 0 FCABRO Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)C[NH+]2CCCC2)n1 ZINC000019695621 220285931 /nfs/dbraw/zinc/28/59/31/220285931.db2.gz KOPJVKNBLPWJQE-UHFFFAOYSA-N 1 0 361.446 0.012 40 0 FCABRO CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccc1 ZINC000020465794 220327342 /nfs/dbraw/zinc/32/73/42/220327342.db2.gz RODDAORZUFRDTH-VSZNYVQBSA-N 1 0 365.474 0.358 40 0 biogenic,in-vitro FCABRO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801443 220342006 /nfs/dbraw/zinc/34/20/06/220342006.db2.gz SKRXTHMILLGYIN-HOTGVXAUSA-N 1 0 358.442 0.949 40 0 FCABRO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@H]3[NH2+]CC[C@H]3N2C)cc1 ZINC000035442413 220783320 /nfs/dbraw/zinc/78/33/20/220783320.db2.gz AINKEOUAGLYTCJ-LESCRADOSA-N 1 0 360.458 0.252 40 0 biogenic,in-vitro FCABRO [NH3+]CCCCCCNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000043771669 220950059 /nfs/dbraw/zinc/95/00/59/220950059.db2.gz NBGAGWFLDCAWGN-YNEHKIRRSA-N 1 0 350.423 0.398 40 0 FCABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC000113952941 132247102 /nfs/dbraw/zinc/24/71/02/132247102.db2.gz XWLVGBKQJJKXPS-INIZCTEOSA-N 1 0 367.471 0.732 40 0 FCABRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096050413 222000654 /nfs/dbraw/zinc/00/06/54/222000654.db2.gz YIZBGNHFIYGNNL-SFHVURJKSA-N 1 0 357.414 0.853 40 0 FCABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)N1CCN1CCOCC1 ZINC000096056569 222005431 /nfs/dbraw/zinc/00/54/31/222005431.db2.gz FNXCYWQUGGXRJK-QZTJIDSGSA-N 1 0 351.491 0.811 40 0 FCABRO C[C@@H]1CN(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)C[C@H](C)O1 ZINC000019497426 229148870 /nfs/dbraw/zinc/14/88/70/229148870.db2.gz VLWVMHRSGCAWJL-OWCLPIDISA-N 1 0 373.501 0.938 40 0 FCABRO CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CC3CCCCC3)[C@@H]2O)CC1 ZINC000012483115 487553639 /nfs/dbraw/zinc/55/36/39/487553639.db2.gz DAZQVXSIUDQKIY-IEWDOMPSSA-N 1 0 367.490 0.174 40 0 biogenic,in-vitro FCABRO CC(C)C[NH2+][C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O ZINC000225502688 488450430 /nfs/dbraw/zinc/45/04/30/488450430.db2.gz HFYRCOSXQXJXGH-YYQUZTFQSA-N 1 0 357.472 0.825 40 0 biogenic,in-vitro FCABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 ZINC000225513411 488450600 /nfs/dbraw/zinc/45/06/00/488450600.db2.gz OACUUEQXZMODSU-VXXGZENSSA-N 1 0 374.481 0.944 40 0 biogenic,in-vitro FCABRO COc1ccccc1N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000225806452 488451485 /nfs/dbraw/zinc/45/14/85/488451485.db2.gz AXRJOAWHZFALRJ-UHFFFAOYSA-N 1 0 357.476 0.919 40 0 FCABRO CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)CC1 ZINC000585282208 491720938 /nfs/dbraw/zinc/72/09/38/491720938.db2.gz BQVTWOFMYINNMP-HOTGVXAUSA-N 1 0 355.479 0.501 40 0 FCABRO CC(C)[NH+]1CCN(C[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 ZINC000585285669 491721432 /nfs/dbraw/zinc/72/14/32/491721432.db2.gz RSYVSBQUUZDMJB-AZUAARDMSA-N 1 0 361.486 0.651 40 0 FCABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccn3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382133 492059466 /nfs/dbraw/zinc/05/94/66/492059466.db2.gz GUPBJMZAHPVHQO-NCXUSEDFSA-N 1 0 372.469 0.751 40 0 biogenic,in-vitro FCABRO CC(=O)c1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2cccnc2)nn1 ZINC000008254164 518479904 /nfs/dbraw/zinc/47/99/04/518479904.db2.gz LPMQPAGVCNYNNG-BBWFWOEESA-N 1 0 368.441 0.903 40 0 biogenic,in-vitro FCABRO Cc1noc(C)c1C[N@@H+]1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC000306143882 534365493 /nfs/dbraw/zinc/36/54/93/534365493.db2.gz YPNIJLJIQPJCLV-FRFSOERESA-N 1 0 357.414 0.958 40 0 FCABRO CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCCC2)cc1 ZINC000020465016 522151784 /nfs/dbraw/zinc/15/17/84/522151784.db2.gz AUJPTFLTLBOBOT-VSZNYVQBSA-N 1 0 363.458 0.067 40 0 biogenic,in-vitro FCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000257285343 526701974 /nfs/dbraw/zinc/70/19/74/526701974.db2.gz PGRJKSQCUAHMFB-SFHVURJKSA-N 1 0 363.462 0.367 40 0 FCABRO C[NH+](C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044910149 535888175 /nfs/dbraw/zinc/88/81/75/535888175.db2.gz IGJLNPFGVQSCFB-CYBMUJFWSA-N 1 0 361.851 0.545 40 0 FCABRO C[NH+](C)CCN1CC[C@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O ZINC000585093419 546524054 /nfs/dbraw/zinc/52/40/54/546524054.db2.gz VQMCQRHHELFUIL-HNNXBMFYSA-N 1 0 356.373 0.936 40 0 FCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cccc(Cl)c2)nn1 ZINC001549159252 1267838750 /nfs/dbraw/zinc/83/87/50/1267838750.db2.gz VMXSZUIYWJDTSP-ARFHVFGLSA-N 1 0 352.822 0.996 40 0 FCABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)CC1 ZINC000257267827 529773031 /nfs/dbraw/zinc/77/30/31/529773031.db2.gz MIXOZSHZVJRTCI-MRXNPFEDSA-N 1 0 354.838 0.265 40 0 FCABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306139408 223112632 /nfs/dbraw/zinc/11/26/32/223112632.db2.gz SWOHFBWQSCKRHO-GDBMZVCRSA-N 1 0 353.426 0.829 40 0 FCABRO C[C@H](C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1)N1CCOCC1 ZINC000019078111 220235233 /nfs/dbraw/zinc/23/52/33/220235233.db2.gz BQENWKLWLYAFIA-CQSZACIVSA-N 1 0 359.474 0.549 40 0 FCABRO C[NH2+][C@H]1CC2(CCN(C(=O)CCn3nccc3C)CC2)OC[C@]1(C)O ZINC000257314104 533010615 /nfs/dbraw/zinc/01/06/15/533010615.db2.gz UVHVUYBGSAFPBG-RDJZCZTQSA-N 1 0 350.463 0.702 40 0 FCABRO C[NH+](C)CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701055 220285815 /nfs/dbraw/zinc/28/58/15/220285815.db2.gz PKXMGHXXEKZKMU-UHFFFAOYSA-N 1 0 368.441 0.435 40 0 FCABRO Cc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716368 220290448 /nfs/dbraw/zinc/29/04/48/220290448.db2.gz AFPFTQGBHMNNCE-UHFFFAOYSA-N 1 0 359.430 0.534 40 0 FCABRO OC[C@@H]1O[C@H](C[NH2+]C2CCOCC2)[C@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000020465248 220327485 /nfs/dbraw/zinc/32/74/85/220327485.db2.gz JEKOTUFLESIGIL-FUMNGEBKSA-N 1 0 362.470 0.303 40 0 biogenic,in-vitro FCABRO COCC[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 ZINC000096063496 222009072 /nfs/dbraw/zinc/00/90/72/222009072.db2.gz FRXVCEOXQZVENY-WBVHZDCISA-N 1 0 350.419 0.103 40 0 FCABRO COCC[N@@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC000096160611 222060220 /nfs/dbraw/zinc/06/02/20/222060220.db2.gz XPPIAEUUVCBYON-RHSMWYFYSA-N 1 0 350.419 0.103 40 0 FCABRO COC[C@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)CS(C)(=O)=O)CC2 ZINC000096220757 222084409 /nfs/dbraw/zinc/08/44/09/222084409.db2.gz UBWPXHWYASYWMS-OAHLLOKOSA-N 1 0 358.504 0.771 40 0 FCABRO O=C(NCC[NH+]1CCCC1)C1=NO[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096225577 222087238 /nfs/dbraw/zinc/08/72/38/222087238.db2.gz AMTGXHFHUZTOKU-QGZVFWFLSA-N 1 0 362.409 0.553 40 0 FCABRO CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3C[NH2+]CCO)[C@H]2O1 ZINC000001665887 487470055 /nfs/dbraw/zinc/47/00/55/487470055.db2.gz WNXSLSQRNSYQQJ-QROFKTNTSA-N 1 0 351.399 0.928 40 0 FCABRO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000008701220 487520656 /nfs/dbraw/zinc/52/06/56/487520656.db2.gz QHSFDOLSCFUEQS-UHFFFAOYSA-N 1 0 372.404 0.031 40 0 FCABRO COc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1C(=O)N1CCOCC1 ZINC000010111658 487531457 /nfs/dbraw/zinc/53/14/57/487531457.db2.gz NWYGWSHFXASDRN-UHFFFAOYSA-N 1 0 371.459 0.008 40 0 FCABRO COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@H]3CCC[NH2+]3)C1)O2 ZINC000012122855 487548044 /nfs/dbraw/zinc/54/80/44/487548044.db2.gz WMITVSGFCNIWTR-DNVCBOLYSA-N 1 0 359.426 0.931 40 0 FCABRO CC(=O)N[C@]12CN(S(=O)(=O)Cc3ccc(C)cc3)C[C@H]1C[N@H+](C)CC2 ZINC000019713626 487606205 /nfs/dbraw/zinc/60/62/05/487606205.db2.gz RZGHFAVRZAFSJK-QZTJIDSGSA-N 1 0 365.499 0.967 40 0 FCABRO OC[C@@H](O)C[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000077262878 488409961 /nfs/dbraw/zinc/40/99/61/488409961.db2.gz PLJGGNIHSOVIFN-LSTDLKDCSA-N 1 0 362.426 0.735 40 0 biogenic,in-vitro FCABRO O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000080155117 488433796 /nfs/dbraw/zinc/43/37/96/488433796.db2.gz INKOQSPFQPMKFU-QGZVFWFLSA-N 1 0 362.478 0.917 40 0 FCABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+](C)C)cc1OC ZINC000223875276 488449365 /nfs/dbraw/zinc/44/93/65/488449365.db2.gz ZFYPHQQMIZDYSZ-UHFFFAOYSA-N 1 0 359.448 0.002 40 0 FCABRO CN(C)S(=O)(=O)N1CC2(C1)C[C@@H](COCc1cccnc1)CCN2C ZINC000247922707 488491702 /nfs/dbraw/zinc/49/17/02/488491702.db2.gz CUGWDJFJBOZLGL-HNNXBMFYSA-N 1 0 368.503 0.801 40 0 FCABRO Cc1cnc(CNC(=O)C2=NO[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cn1 ZINC000107788862 488518544 /nfs/dbraw/zinc/51/85/44/488518544.db2.gz ADCBHCQOIVUQIB-RDTXWAMCSA-N 1 0 359.430 0.659 40 0 FCABRO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000257333316 488526041 /nfs/dbraw/zinc/52/60/41/488526041.db2.gz YBBKKHWKPMXZRJ-OALUTQOASA-N 1 0 372.469 0.876 40 0 FCABRO CC(=O)N1CCCN(C[C@@H]2OC[C@H]([NH2+]C3Cc4ccccc4C3)[C@H]2O)CC1 ZINC000514289018 490769008 /nfs/dbraw/zinc/76/90/08/490769008.db2.gz MBWRIYQMQKKNJN-PCCBWWKXSA-N 1 0 373.497 0.426 40 0 biogenic,in-vitro FCABRO Cn1cnc(C(=O)N2CCC[C@]3(CCN(CC4CC[NH+](C)CC4)C3=O)C2)n1 ZINC000585100984 491719275 /nfs/dbraw/zinc/71/92/75/491719275.db2.gz QPWFHHIEBOKJCQ-IBGZPJMESA-N 1 0 374.489 0.612 40 0 FCABRO C[N@@H+]1CCC[C@H](NC(=O)CNS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 ZINC000585280208 491721005 /nfs/dbraw/zinc/72/10/05/491721005.db2.gz CJPZGOUKLZEDBK-GJZGRUSLSA-N 1 0 357.451 0.496 40 0 FCABRO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]C2CCCC2)C1 ZINC000585282880 491721346 /nfs/dbraw/zinc/72/13/46/491721346.db2.gz IUEYLFSXFCTNEH-DLBZAZTESA-N 1 0 354.472 0.705 40 0 FCABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(O)CC2)C1 ZINC000585285855 491721406 /nfs/dbraw/zinc/72/14/06/491721406.db2.gz UOXDGTZKAFTQNC-FUHWJXTLSA-N 1 0 368.861 0.735 40 0 FCABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(O)CC2)[C@@H](O)C1 ZINC000585283264 491721466 /nfs/dbraw/zinc/72/14/66/491721466.db2.gz DUDJQZBZQWGBHN-WMZOPIPTSA-N 1 0 368.861 0.735 40 0 FCABRO CC(C)C(=O)N1C[C@@H]2COCCN2C2(C[NH+](CC3CCOCC3)C2)C1 ZINC000604381674 492059817 /nfs/dbraw/zinc/05/98/17/492059817.db2.gz KROYBHJIKHXSSI-QGZVFWFLSA-N 1 0 351.491 0.666 40 0 biogenic,in-vitro FCABRO O=C(c1c[nH]c(=O)[nH]c1=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257247322 534767842 /nfs/dbraw/zinc/76/78/42/534767842.db2.gz IYLOSZZQTKEVDS-AWEZNQCLSA-N 1 0 358.345 0.196 40 0 FCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cncs3)C2)CC1 ZINC000257304844 526702052 /nfs/dbraw/zinc/70/20/52/526702052.db2.gz SNJONHDTGCNRPB-MRXNPFEDSA-N 1 0 352.460 0.321 40 0 FCABRO CC(=O)NCC(=O)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257339287 526717321 /nfs/dbraw/zinc/71/73/21/526717321.db2.gz ZBBULVAUKXYRNH-FQEVSTJZSA-N 1 0 359.470 0.924 40 0 FCABRO C[NH+](C)CCN1CC[C@@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O ZINC000585093420 546524107 /nfs/dbraw/zinc/52/41/07/546524107.db2.gz VQMCQRHHELFUIL-OAHLLOKOSA-N 1 0 356.373 0.936 40 0 FCABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534613201 1267266949 /nfs/dbraw/zinc/26/69/49/1267266949.db2.gz QHMMEEPKHWUMPU-LZWOXQAQSA-N 1 0 369.487 0.113 40 0 FCABRO CCc1nccn1CC(=O)N1CC[C@H]2OC[C@@H]([NH2+]C)[C@](C)(O)C[C@H]2C1 ZINC000257277308 529759947 /nfs/dbraw/zinc/75/99/47/529759947.db2.gz NXJYAMOPHNRGLV-LUXYFRNMSA-N 1 0 350.463 0.422 40 0 FCABRO CN(c1ccccc1C(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829730 530036771 /nfs/dbraw/zinc/03/67/71/530036771.db2.gz FQPZEWKDJQIDQL-UHFFFAOYSA-N 1 0 368.503 0.450 40 0 FCABRO CN1CCC[N@@H+]([C@H]2CCN(C(=O)CC3CCOCC3)CC[C@@H]2O)CC1 ZINC000257228702 530053944 /nfs/dbraw/zinc/05/39/44/530053944.db2.gz FUWZCKDRLCPARD-ROUUACIJSA-N 1 0 353.507 0.793 40 0 FCABRO CC(=O)c1cn(C[C@H]2C[C@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2cccnc2)nn1 ZINC000008254169 291028183 /nfs/dbraw/zinc/02/81/83/291028183.db2.gz LPMQPAGVCNYNNG-ZACQAIPSSA-N 1 0 368.441 0.903 40 0 biogenic,in-vitro FCABRO COCCC(=O)N1CCC[C@@](O)(C[NH+]2CCC(NC(C)=O)CC2)CC1 ZINC000257292274 223052356 /nfs/dbraw/zinc/05/23/56/223052356.db2.gz QKTGKOSGUGJABG-SFHVURJKSA-N 1 0 355.479 0.367 40 0 FCABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC[NH+]1CCCCC1 ZINC000013669236 220081352 /nfs/dbraw/zinc/08/13/52/220081352.db2.gz NCUMXGKTEKRBTR-UHFFFAOYSA-N 1 0 365.455 0.823 40 0 FCABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC[NH+]1CCCC1 ZINC000013668445 220081826 /nfs/dbraw/zinc/08/18/26/220081826.db2.gz SJXVZSVOPVWTOH-UHFFFAOYSA-N 1 0 351.428 0.433 40 0 FCABRO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cnn(C(F)F)c2C)C1 ZINC000019553107 220270581 /nfs/dbraw/zinc/27/05/81/220270581.db2.gz KEQUDUXXFSMRGZ-LLVKDONJSA-N 1 0 352.407 0.833 40 0 FCABRO C[NH2+][C@H]1CC2(CCN(C(=O)CCCn3cccn3)CC2)OC[C@]1(C)O ZINC000257275149 533010456 /nfs/dbraw/zinc/01/04/56/533010456.db2.gz NOBWPHTZYCRIJK-RDJZCZTQSA-N 1 0 350.463 0.784 40 0 FCABRO Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCC[NH+]4CCCC4)O[C@@H]3C2)nn1 ZINC000096066194 132218096 /nfs/dbraw/zinc/21/80/96/132218096.db2.gz MYQIEMFUZNKZQH-YESZJQIVSA-N 1 0 359.474 0.981 40 0 FCABRO CCCCS(=O)(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224334206 132283046 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40 0 FCABRO CO[C@H]1CN(C(=O)C2CC[NH+](CCC(N)=O)CC2)CC[C@@]12CCCO2 ZINC000257255994 223040007 /nfs/dbraw/zinc/04/00/07/223040007.db2.gz KJRNIMRTLCONRD-YJBOKZPZSA-N 1 0 353.463 0.370 40 0 FCABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCn2ncnc2[C@H]3NC(=O)C2CC2)cn1 ZINC000306124776 223106876 /nfs/dbraw/zinc/10/68/76/223106876.db2.gz BZHFUKZXAYUEQR-CRAIPNDOSA-N 1 0 355.446 0.875 40 0 FCABRO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306138754 223111768 /nfs/dbraw/zinc/11/17/68/223111768.db2.gz SGIQKDJDZTZDEI-IBGZPJMESA-N 1 0 369.425 0.385 40 0 FCABRO O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCC2)[C@H]1O ZINC000012529662 220003370 /nfs/dbraw/zinc/00/33/70/220003370.db2.gz ZKECHZQWNWBCTL-DGXTUMSLSA-N 1 0 351.378 0.896 40 0 biogenic,in-vitro FCABRO O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)NC1CC1 ZINC000015675312 220158744 /nfs/dbraw/zinc/15/87/44/220158744.db2.gz OLKBUFNZMJNXEN-HDEZJCGLSA-N 1 0 354.834 0.588 40 0 biogenic,in-vitro FCABRO 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